USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 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 96 HIS : no HE2:sc= 0.405 K(o=1.7,f=-3.2) USER MOD Set 1.2: A 99 THR OG1 : rot 144:sc= 1.25 USER MOD Set 2.1: A 24 ASN : amide:sc= 1.11 K(o=2.2,f=-3.3!) USER MOD Set 2.2: A 46 SER OG : rot -166:sc= 1.07 USER MOD Set 3.1: A 15 SER OG : rot 150:sc= -0.0158 USER MOD Set 3.2: A 44 SER OG : rot -109:sc= 0.26 USER MOD Set 3.3: A 58 HIS : no HD1:sc= 1.5 K(o=1.7,f=-5.7!) USER MOD Set 4.1: A 34 SER OG : rot 180:sc= 0.0349 USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0.0209 USER MOD Set 5.1: A 28 THR OG1 : rot 102:sc= 1.51 USER MOD Set 5.2: A 100 ASN : amide:sc= 0.454 K(o=2,f=1.1) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 1 GLN N :NH3+ 137:sc= 0.0146 (180deg=-0.0404) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.722 USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= 0.0371 (180deg=-0.0542) USER MOD Single : A 11 THR OG1 : rot -85:sc= 1.2 USER MOD Single : A 21 ASN : amide:sc= 0.0669 K(o=0.067,f=-0.63) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= -0.155 (180deg=-0.682) USER MOD Single : A 41 TYR OH : rot -132:sc= 1.1 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.038) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0.75 (180deg=0.74) USER MOD Single : A 55 ASN : amide:sc= -3.78! K(o=-3.8!,f=-0.66) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 0.848 (180deg=0.559) USER MOD Single : A 59 TYR OH : rot 100:sc= -1.27 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 72 THR OG1 : rot -168:sc= 1.27 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.47) USER MOD Single : A 78 SER OG : rot 41:sc= 1.07 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.441 K(o=-0.44,f=-2) USER MOD Single : A 82 GLN : amide:sc= -0.336 K(o=-0.34,f=-1.1) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 17:sc= -0.132 USER MOD Single : A 88 SER OG : rot 83:sc= 1.27 USER MOD Single : A 89 LYS NZ :NH3+ -130:sc= 0.911 (180deg=-0.0757) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 95 CYS SG : rot -28:sc= 0.0114 USER MOD Single : A 102 CYS SG : rot -37:sc= 0.0439 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 10.732 -6.069 -13.012 1.00 0.00 N ATOM 2 CA GLN A 1 9.845 -5.028 -12.449 1.00 0.00 C ATOM 3 C GLN A 1 8.401 -5.284 -12.858 1.00 0.00 C ATOM 4 O GLN A 1 8.127 -5.664 -13.997 1.00 0.00 O ATOM 5 CB GLN A 1 10.284 -3.630 -12.910 1.00 0.00 C ATOM 6 CG GLN A 1 10.290 -3.443 -14.422 1.00 0.00 C ATOM 7 CD GLN A 1 10.646 -2.029 -14.841 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.366 -1.066 -14.126 1.00 0.00 O ATOM 9 NE2 GLN A 1 11.271 -1.894 -16.002 1.00 0.00 N ATOM 0 H1 GLN A 1 11.595 -5.625 -13.385 1.00 0.00 H new ATOM 0 H2 GLN A 1 10.987 -6.748 -12.267 1.00 0.00 H new ATOM 0 H3 GLN A 1 10.239 -6.567 -13.780 1.00 0.00 H new ATOM 0 HA GLN A 1 9.917 -5.072 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.620 -2.888 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 1 11.285 -3.431 -12.527 1.00 0.00 H new ATOM 0 HG2 GLN A 1 11.002 -4.138 -14.866 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.307 -3.697 -14.818 1.00 0.00 H new ATOM 0 HE21 GLN A 1 11.485 -2.717 -16.565 1.00 0.00 H new ATOM 0 HE22 GLN A 1 11.538 -0.967 -16.333 1.00 0.00 H new ATOM 20 N ALA A 2 7.484 -5.094 -11.921 1.00 0.00 N ATOM 21 CA ALA A 2 6.066 -5.289 -12.181 1.00 0.00 C ATOM 22 C ALA A 2 5.284 -4.045 -11.786 1.00 0.00 C ATOM 23 O ALA A 2 5.141 -3.751 -10.599 1.00 0.00 O ATOM 24 CB ALA A 2 5.547 -6.509 -11.429 1.00 0.00 C ATOM 0 H ALA A 2 7.699 -4.803 -10.967 1.00 0.00 H new ATOM 0 HA ALA A 2 5.928 -5.462 -13.248 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.485 -6.639 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.091 -7.396 -11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.694 -6.366 -10.358 1.00 0.00 H new ATOM 30 N GLU A 3 4.798 -3.318 -12.788 1.00 0.00 N ATOM 31 CA GLU A 3 4.042 -2.086 -12.580 1.00 0.00 C ATOM 32 C GLU A 3 4.853 -1.045 -11.807 1.00 0.00 C ATOM 33 O GLU A 3 6.065 -1.192 -11.622 1.00 0.00 O ATOM 34 CB GLU A 3 2.729 -2.375 -11.851 1.00 0.00 C ATOM 35 CG GLU A 3 1.834 -3.372 -12.572 1.00 0.00 C ATOM 36 CD GLU A 3 1.531 -2.959 -13.998 1.00 0.00 C ATOM 37 OE1 GLU A 3 0.755 -2.002 -14.195 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.063 -3.596 -14.930 1.00 0.00 O ATOM 0 H GLU A 3 4.917 -3.567 -13.770 1.00 0.00 H new ATOM 0 HA GLU A 3 3.820 -1.674 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.953 -2.756 -10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.184 -1.440 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.315 -4.350 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.899 -3.479 -12.022 1.00 0.00 H new ATOM 45 N GLU A 4 4.188 0.021 -11.392 1.00 0.00 N ATOM 46 CA GLU A 4 4.828 1.080 -10.627 1.00 0.00 C ATOM 47 C GLU A 4 4.540 0.899 -9.141 1.00 0.00 C ATOM 48 O GLU A 4 5.451 0.808 -8.321 1.00 0.00 O ATOM 49 CB GLU A 4 4.314 2.452 -11.082 1.00 0.00 C ATOM 50 CG GLU A 4 4.585 2.781 -12.547 1.00 0.00 C ATOM 51 CD GLU A 4 3.816 1.903 -13.517 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.576 2.036 -13.601 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.447 1.067 -14.192 1.00 0.00 O ATOM 0 H GLU A 4 3.197 0.177 -11.574 1.00 0.00 H new ATOM 0 HA GLU A 4 5.903 1.027 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.239 2.499 -10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.772 3.221 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.327 3.824 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.652 2.677 -12.743 1.00 0.00 H new ATOM 60 N TRP A 5 3.256 0.822 -8.826 1.00 0.00 N ATOM 61 CA TRP A 5 2.777 0.720 -7.449 1.00 0.00 C ATOM 62 C TRP A 5 3.139 -0.624 -6.819 1.00 0.00 C ATOM 63 O TRP A 5 3.304 -0.731 -5.601 1.00 0.00 O ATOM 64 CB TRP A 5 1.256 0.931 -7.432 1.00 0.00 C ATOM 65 CG TRP A 5 0.564 0.355 -8.636 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.357 0.980 -9.832 1.00 0.00 C ATOM 67 CD2 TRP A 5 -0.006 -0.954 -8.767 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.290 0.138 -10.699 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.530 -1.051 -10.067 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.121 -2.051 -7.915 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -1.156 -2.202 -10.531 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.744 -3.191 -8.374 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.255 -3.260 -9.674 1.00 0.00 C ATOM 0 H TRP A 5 2.509 0.828 -9.521 1.00 0.00 H new ATOM 0 HA TRP A 5 3.265 1.492 -6.854 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.843 0.476 -6.532 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.045 1.999 -7.376 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.659 1.991 -10.062 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.550 0.362 -11.660 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.272 -2.008 -6.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.550 -2.257 -11.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.839 -4.045 -7.720 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.737 -4.168 -10.006 1.00 0.00 H new ATOM 84 N TYR A 6 3.250 -1.640 -7.655 1.00 0.00 N ATOM 85 CA TYR A 6 3.551 -2.991 -7.208 1.00 0.00 C ATOM 86 C TYR A 6 5.053 -3.145 -6.967 1.00 0.00 C ATOM 87 O TYR A 6 5.864 -2.850 -7.848 1.00 0.00 O ATOM 88 CB TYR A 6 3.074 -3.983 -8.273 1.00 0.00 C ATOM 89 CG TYR A 6 2.900 -5.401 -7.790 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.708 -5.805 -7.204 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.911 -6.338 -7.943 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.529 -7.106 -6.783 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.740 -7.640 -7.519 1.00 0.00 C ATOM 94 CZ TYR A 6 2.548 -8.018 -6.942 1.00 0.00 C ATOM 95 OH TYR A 6 2.368 -9.317 -6.532 1.00 0.00 O ATOM 0 H TYR A 6 3.134 -1.553 -8.665 1.00 0.00 H new ATOM 0 HA TYR A 6 3.035 -3.192 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.123 -3.633 -8.675 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.788 -3.980 -9.096 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.909 -5.090 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.845 -6.045 -8.400 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.595 -7.407 -6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.537 -8.359 -7.639 1.00 0.00 H new ATOM 0 HH TYR A 6 3.181 -9.833 -6.715 1.00 0.00 H new ATOM 105 N PHE A 7 5.425 -3.592 -5.775 1.00 0.00 N ATOM 106 CA PHE A 7 6.834 -3.753 -5.431 1.00 0.00 C ATOM 107 C PHE A 7 7.179 -5.204 -5.109 1.00 0.00 C ATOM 108 O PHE A 7 8.005 -5.482 -4.241 1.00 0.00 O ATOM 109 CB PHE A 7 7.212 -2.839 -4.265 1.00 0.00 C ATOM 110 CG PHE A 7 7.612 -1.458 -4.700 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.660 -0.533 -5.104 1.00 0.00 C ATOM 112 CD2 PHE A 7 8.946 -1.086 -4.715 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.033 0.733 -5.510 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.324 0.177 -5.121 1.00 0.00 C ATOM 115 CZ PHE A 7 8.368 1.088 -5.519 1.00 0.00 C ATOM 0 H PHE A 7 4.775 -3.849 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 7 7.417 -3.465 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.367 -2.767 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.034 -3.290 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.615 -0.806 -5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.700 -1.794 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.282 1.445 -5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.368 0.452 -5.127 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.663 2.077 -5.837 1.00 0.00 H new ATOM 125 N GLY A 8 6.524 -6.117 -5.805 1.00 0.00 N ATOM 126 CA GLY A 8 6.873 -7.521 -5.714 1.00 0.00 C ATOM 127 C GLY A 8 6.525 -8.129 -4.374 1.00 0.00 C ATOM 128 O GLY A 8 5.488 -7.813 -3.794 1.00 0.00 O ATOM 0 H GLY A 8 5.750 -5.911 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.357 -8.070 -6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.942 -7.637 -5.893 1.00 0.00 H new ATOM 132 N LYS A 9 7.393 -9.001 -3.885 1.00 0.00 N ATOM 133 CA LYS A 9 7.178 -9.674 -2.610 1.00 0.00 C ATOM 134 C LYS A 9 8.273 -9.325 -1.611 1.00 0.00 C ATOM 135 O LYS A 9 8.848 -10.210 -0.970 1.00 0.00 O ATOM 136 CB LYS A 9 7.119 -11.192 -2.806 1.00 0.00 C ATOM 137 CG LYS A 9 5.840 -11.682 -3.462 1.00 0.00 C ATOM 138 CD LYS A 9 5.795 -13.199 -3.539 1.00 0.00 C ATOM 139 CE LYS A 9 6.670 -13.736 -4.660 1.00 0.00 C ATOM 140 NZ LYS A 9 6.046 -13.518 -5.990 1.00 0.00 N ATOM 0 H LYS A 9 8.260 -9.262 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 9 6.224 -9.328 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.969 -11.503 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.227 -11.678 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.980 -11.320 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.762 -11.264 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.123 -13.621 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.766 -13.524 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.644 -13.247 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.844 -14.801 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.959 -14.428 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.102 -13.100 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.639 -12.874 -6.550 1.00 0.00 H new ATOM 154 N ILE A 10 8.559 -8.037 -1.484 1.00 0.00 N ATOM 155 CA ILE A 10 9.551 -7.565 -0.525 1.00 0.00 C ATOM 156 C ILE A 10 9.059 -7.781 0.907 1.00 0.00 C ATOM 157 O ILE A 10 7.851 -7.798 1.171 1.00 0.00 O ATOM 158 CB ILE A 10 9.883 -6.070 -0.731 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.621 -5.212 -0.615 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.555 -5.853 -2.079 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.882 -3.727 -0.724 1.00 0.00 C ATOM 0 H ILE A 10 8.118 -7.299 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 10 10.459 -8.145 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 10 10.576 -5.764 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.919 -5.507 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.139 -5.418 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.781 -4.794 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.479 -6.429 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.886 -6.180 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.941 -3.185 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.558 -3.417 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.335 -3.507 -1.691 1.00 0.00 H new ATOM 173 N THR A 11 9.997 -7.964 1.820 1.00 0.00 N ATOM 174 CA THR A 11 9.663 -8.223 3.212 1.00 0.00 C ATOM 175 C THR A 11 9.326 -6.929 3.949 1.00 0.00 C ATOM 176 O THR A 11 9.494 -5.835 3.397 1.00 0.00 O ATOM 177 CB THR A 11 10.816 -8.944 3.937 1.00 0.00 C ATOM 178 OG1 THR A 11 12.020 -8.180 3.812 1.00 0.00 O ATOM 179 CG2 THR A 11 11.032 -10.334 3.358 1.00 0.00 C ATOM 0 H THR A 11 10.998 -7.938 1.623 1.00 0.00 H new ATOM 0 HA THR A 11 8.785 -8.869 3.216 1.00 0.00 H new ATOM 0 HB THR A 11 10.552 -9.043 4.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.466 -8.407 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.851 -10.824 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.122 -10.922 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.279 -10.253 2.299 1.00 0.00 H new ATOM 187 N ARG A 12 8.855 -7.046 5.186 1.00 0.00 N ATOM 188 CA ARG A 12 8.485 -5.881 5.973 1.00 0.00 C ATOM 189 C ARG A 12 9.686 -4.965 6.156 1.00 0.00 C ATOM 190 O ARG A 12 9.603 -3.760 5.920 1.00 0.00 O ATOM 191 CB ARG A 12 7.951 -6.308 7.341 1.00 0.00 C ATOM 192 CG ARG A 12 7.485 -5.146 8.200 1.00 0.00 C ATOM 193 CD ARG A 12 7.290 -5.556 9.651 1.00 0.00 C ATOM 194 NE ARG A 12 6.282 -6.605 9.813 1.00 0.00 N ATOM 195 CZ ARG A 12 5.359 -6.612 10.775 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.250 -5.578 11.610 1.00 0.00 N ATOM 197 NH2 ARG A 12 4.532 -7.645 10.888 1.00 0.00 N ATOM 0 H ARG A 12 8.721 -7.938 5.663 1.00 0.00 H new ATOM 0 HA ARG A 12 7.702 -5.342 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.121 -7.000 7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.731 -6.852 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.215 -4.339 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.548 -4.755 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.240 -5.905 10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.997 -4.683 10.234 1.00 0.00 H new ATOM 0 HE ARG A 12 6.286 -7.379 9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.874 -4.777 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.542 -5.588 12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.604 -8.429 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.825 -7.654 11.623 1.00 0.00 H new ATOM 211 N ARG A 13 10.805 -5.562 6.548 1.00 0.00 N ATOM 212 CA ARG A 13 12.036 -4.828 6.809 1.00 0.00 C ATOM 213 C ARG A 13 12.453 -4.004 5.595 1.00 0.00 C ATOM 214 O ARG A 13 12.764 -2.819 5.714 1.00 0.00 O ATOM 215 CB ARG A 13 13.149 -5.808 7.189 1.00 0.00 C ATOM 216 CG ARG A 13 14.456 -5.138 7.576 1.00 0.00 C ATOM 217 CD ARG A 13 15.513 -6.169 7.914 1.00 0.00 C ATOM 218 NE ARG A 13 16.762 -5.560 8.363 1.00 0.00 N ATOM 219 CZ ARG A 13 17.666 -6.196 9.107 1.00 0.00 C ATOM 220 NH1 ARG A 13 17.450 -7.451 9.494 1.00 0.00 N ATOM 221 NH2 ARG A 13 18.794 -5.585 9.451 1.00 0.00 N ATOM 0 H ARG A 13 10.884 -6.568 6.694 1.00 0.00 H new ATOM 0 HA ARG A 13 11.859 -4.141 7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.808 -6.424 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.331 -6.479 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.804 -4.510 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.294 -4.483 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.135 -6.831 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.708 -6.786 7.037 1.00 0.00 H new ATOM 0 HE ARG A 13 16.953 -4.595 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.591 -7.928 9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.144 -7.936 10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.969 -4.628 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.485 -6.073 10.021 1.00 0.00 H new ATOM 235 N GLU A 14 12.439 -4.630 4.426 1.00 0.00 N ATOM 236 CA GLU A 14 12.814 -3.956 3.189 1.00 0.00 C ATOM 237 C GLU A 14 11.840 -2.827 2.870 1.00 0.00 C ATOM 238 O GLU A 14 12.245 -1.740 2.446 1.00 0.00 O ATOM 239 CB GLU A 14 12.847 -4.959 2.039 1.00 0.00 C ATOM 240 CG GLU A 14 13.868 -6.062 2.239 1.00 0.00 C ATOM 241 CD GLU A 14 13.748 -7.157 1.206 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.803 -7.970 1.307 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.596 -7.214 0.291 1.00 0.00 O ATOM 0 H GLU A 14 12.171 -5.607 4.308 1.00 0.00 H new ATOM 0 HA GLU A 14 13.807 -3.526 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.858 -5.404 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.068 -4.431 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.871 -5.636 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.745 -6.490 3.234 1.00 0.00 H new ATOM 250 N SER A 15 10.558 -3.089 3.085 1.00 0.00 N ATOM 251 CA SER A 15 9.526 -2.093 2.856 1.00 0.00 C ATOM 252 C SER A 15 9.724 -0.902 3.789 1.00 0.00 C ATOM 253 O SER A 15 9.723 0.248 3.354 1.00 0.00 O ATOM 254 CB SER A 15 8.143 -2.716 3.069 1.00 0.00 C ATOM 255 OG SER A 15 7.103 -1.823 2.709 1.00 0.00 O ATOM 0 H SER A 15 10.209 -3.987 3.419 1.00 0.00 H new ATOM 0 HA SER A 15 9.597 -1.740 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.060 -3.628 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.030 -3.003 4.115 1.00 0.00 H new ATOM 0 HG SER A 15 6.328 -2.333 2.394 1.00 0.00 H new ATOM 261 N GLU A 16 9.927 -1.187 5.068 1.00 0.00 N ATOM 262 CA GLU A 16 10.098 -0.145 6.069 1.00 0.00 C ATOM 263 C GLU A 16 11.427 0.584 5.891 1.00 0.00 C ATOM 264 O GLU A 16 11.547 1.756 6.240 1.00 0.00 O ATOM 265 CB GLU A 16 9.988 -0.745 7.469 1.00 0.00 C ATOM 266 CG GLU A 16 8.624 -1.352 7.748 1.00 0.00 C ATOM 267 CD GLU A 16 8.459 -1.809 9.179 1.00 0.00 C ATOM 268 OE1 GLU A 16 9.347 -2.528 9.687 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.435 -1.459 9.803 1.00 0.00 O ATOM 0 H GLU A 16 9.977 -2.136 5.437 1.00 0.00 H new ATOM 0 HA GLU A 16 9.304 0.591 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.753 -1.512 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.193 0.030 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.852 -0.618 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.467 -2.200 7.082 1.00 0.00 H new ATOM 276 N ARG A 17 12.418 -0.107 5.337 1.00 0.00 N ATOM 277 CA ARG A 17 13.703 0.516 5.022 1.00 0.00 C ATOM 278 C ARG A 17 13.511 1.655 4.021 1.00 0.00 C ATOM 279 O ARG A 17 14.252 2.640 4.024 1.00 0.00 O ATOM 280 CB ARG A 17 14.680 -0.531 4.463 1.00 0.00 C ATOM 281 CG ARG A 17 16.025 0.040 4.038 1.00 0.00 C ATOM 282 CD ARG A 17 17.002 -1.056 3.633 1.00 0.00 C ATOM 283 NE ARG A 17 16.486 -1.894 2.550 1.00 0.00 N ATOM 284 CZ ARG A 17 17.097 -2.988 2.094 1.00 0.00 C ATOM 285 NH1 ARG A 17 18.304 -3.319 2.542 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.514 -3.721 1.153 1.00 0.00 N ATOM 0 H ARG A 17 12.358 -1.096 5.097 1.00 0.00 H new ATOM 0 HA ARG A 17 14.124 0.929 5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.846 -1.298 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.219 -1.022 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.881 0.726 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.449 0.620 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.943 -0.603 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.221 -1.681 4.499 1.00 0.00 H new ATOM 0 HE ARG A 17 15.603 -1.624 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 17 18.767 -2.735 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.767 -4.157 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.604 -3.446 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.976 -4.559 0.800 1.00 0.00 H new ATOM 300 N LEU A 18 12.500 1.522 3.172 1.00 0.00 N ATOM 301 CA LEU A 18 12.198 2.547 2.182 1.00 0.00 C ATOM 302 C LEU A 18 11.214 3.582 2.730 1.00 0.00 C ATOM 303 O LEU A 18 11.235 4.744 2.323 1.00 0.00 O ATOM 304 CB LEU A 18 11.623 1.903 0.917 1.00 0.00 C ATOM 305 CG LEU A 18 12.540 0.891 0.225 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.831 0.240 -0.949 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.829 1.563 -0.234 1.00 0.00 C ATOM 0 H LEU A 18 11.876 0.715 3.149 1.00 0.00 H new ATOM 0 HA LEU A 18 13.128 3.060 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.688 1.405 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.378 2.692 0.206 1.00 0.00 H new ATOM 0 HG LEU A 18 12.795 0.113 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.500 -0.476 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.940 -0.278 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.543 1.005 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.468 0.828 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.592 2.363 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.349 1.979 0.629 1.00 0.00 H new ATOM 319 N LEU A 19 10.364 3.163 3.664 1.00 0.00 N ATOM 320 CA LEU A 19 9.276 4.018 4.137 1.00 0.00 C ATOM 321 C LEU A 19 9.647 4.815 5.385 1.00 0.00 C ATOM 322 O LEU A 19 9.199 5.948 5.551 1.00 0.00 O ATOM 323 CB LEU A 19 8.025 3.185 4.406 1.00 0.00 C ATOM 324 CG LEU A 19 7.479 2.423 3.199 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.233 1.654 3.585 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.184 3.367 2.039 1.00 0.00 C ATOM 0 H LEU A 19 10.405 2.245 4.106 1.00 0.00 H new ATOM 0 HA LEU A 19 9.077 4.738 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.248 2.469 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.243 3.844 4.783 1.00 0.00 H new ATOM 0 HG LEU A 19 8.242 1.717 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.854 1.116 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.474 0.943 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.472 2.349 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.797 2.796 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.443 4.104 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.101 3.877 1.743 1.00 0.00 H new ATOM 338 N LEU A 20 10.461 4.236 6.262 1.00 0.00 N ATOM 339 CA LEU A 20 10.865 4.917 7.495 1.00 0.00 C ATOM 340 C LEU A 20 11.972 5.931 7.227 1.00 0.00 C ATOM 341 O LEU A 20 12.995 5.961 7.910 1.00 0.00 O ATOM 342 CB LEU A 20 11.325 3.918 8.564 1.00 0.00 C ATOM 343 CG LEU A 20 10.216 3.324 9.440 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.435 4.427 10.135 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.283 2.453 8.620 1.00 0.00 C ATOM 0 H LEU A 20 10.854 3.302 6.146 1.00 0.00 H new ATOM 0 HA LEU A 20 9.988 5.445 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.849 3.100 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.048 4.414 9.212 1.00 0.00 H new ATOM 0 HG LEU A 20 10.686 2.699 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.652 3.985 10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.109 5.009 10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.983 5.079 9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.506 2.044 9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.824 3.052 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.848 1.636 8.171 1.00 0.00 H new ATOM 357 N ASN A 21 11.747 6.759 6.226 1.00 0.00 N ATOM 358 CA ASN A 21 12.670 7.817 5.858 1.00 0.00 C ATOM 359 C ASN A 21 11.917 9.134 5.854 1.00 0.00 C ATOM 360 O ASN A 21 11.027 9.334 5.029 1.00 0.00 O ATOM 361 CB ASN A 21 13.277 7.547 4.474 1.00 0.00 C ATOM 362 CG ASN A 21 14.190 6.334 4.461 1.00 0.00 C ATOM 363 OD1 ASN A 21 14.911 6.073 5.424 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.150 5.573 3.381 1.00 0.00 N ATOM 0 H ASN A 21 10.913 6.717 5.640 1.00 0.00 H new ATOM 0 HA ASN A 21 13.487 7.858 6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.474 7.400 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.839 8.423 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.730 4.736 3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.539 5.823 2.603 1.00 0.00 H new ATOM 371 N PRO A 22 12.246 10.044 6.787 1.00 0.00 N ATOM 372 CA PRO A 22 11.523 11.313 6.958 1.00 0.00 C ATOM 373 C PRO A 22 11.785 12.315 5.834 1.00 0.00 C ATOM 374 O PRO A 22 11.954 13.511 6.072 1.00 0.00 O ATOM 375 CB PRO A 22 12.057 11.845 8.289 1.00 0.00 C ATOM 376 CG PRO A 22 13.415 11.248 8.420 1.00 0.00 C ATOM 377 CD PRO A 22 13.349 9.901 7.753 1.00 0.00 C ATOM 0 HA PRO A 22 10.444 11.163 6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.102 12.934 8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.414 11.551 9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.165 11.881 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.697 11.150 9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.287 9.654 7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.151 9.107 8.473 1.00 0.00 H new ATOM 385 N GLU A 23 11.811 11.813 4.609 1.00 0.00 N ATOM 386 CA GLU A 23 11.998 12.645 3.434 1.00 0.00 C ATOM 387 C GLU A 23 10.903 12.358 2.415 1.00 0.00 C ATOM 388 O GLU A 23 10.963 12.812 1.269 1.00 0.00 O ATOM 389 CB GLU A 23 13.370 12.385 2.818 1.00 0.00 C ATOM 390 CG GLU A 23 14.512 12.574 3.800 1.00 0.00 C ATOM 391 CD GLU A 23 15.861 12.261 3.194 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.279 11.085 3.237 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.517 13.193 2.681 1.00 0.00 O ATOM 0 H GLU A 23 11.703 10.820 4.403 1.00 0.00 H new ATOM 0 HA GLU A 23 11.940 13.692 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.399 11.367 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.513 13.055 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.510 13.603 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.350 11.933 4.667 1.00 0.00 H new ATOM 400 N ASN A 24 9.910 11.591 2.838 1.00 0.00 N ATOM 401 CA ASN A 24 8.800 11.241 1.973 1.00 0.00 C ATOM 402 C ASN A 24 7.519 11.931 2.434 1.00 0.00 C ATOM 403 O ASN A 24 7.359 12.252 3.613 1.00 0.00 O ATOM 404 CB ASN A 24 8.626 9.709 1.909 1.00 0.00 C ATOM 405 CG ASN A 24 8.310 9.036 3.244 1.00 0.00 C ATOM 406 OD1 ASN A 24 7.625 9.582 4.104 1.00 0.00 O ATOM 407 ND2 ASN A 24 8.811 7.821 3.419 1.00 0.00 N ATOM 0 H ASN A 24 9.853 11.199 3.778 1.00 0.00 H new ATOM 0 HA ASN A 24 9.019 11.593 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.826 9.479 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.540 9.272 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.631 7.315 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.377 7.392 2.687 1.00 0.00 H new ATOM 414 N PRO A 25 6.621 12.229 1.484 1.00 0.00 N ATOM 415 CA PRO A 25 5.319 12.828 1.783 1.00 0.00 C ATOM 416 C PRO A 25 4.286 11.783 2.198 1.00 0.00 C ATOM 417 O PRO A 25 4.427 10.598 1.880 1.00 0.00 O ATOM 418 CB PRO A 25 4.934 13.452 0.441 1.00 0.00 C ATOM 419 CG PRO A 25 5.532 12.539 -0.575 1.00 0.00 C ATOM 420 CD PRO A 25 6.816 12.033 0.030 1.00 0.00 C ATOM 0 HA PRO A 25 5.359 13.532 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.852 13.518 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.326 14.464 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.857 11.715 -0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.722 13.066 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.987 10.984 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.678 12.590 -0.337 1.00 0.00 H new ATOM 428 N ARG A 26 3.252 12.215 2.912 1.00 0.00 N ATOM 429 CA ARG A 26 2.158 11.334 3.265 1.00 0.00 C ATOM 430 C ARG A 26 1.447 10.846 2.015 1.00 0.00 C ATOM 431 O ARG A 26 1.248 11.602 1.066 1.00 0.00 O ATOM 432 CB ARG A 26 1.169 12.045 4.175 1.00 0.00 C ATOM 433 CG ARG A 26 1.624 12.136 5.616 1.00 0.00 C ATOM 434 CD ARG A 26 0.555 12.759 6.499 1.00 0.00 C ATOM 435 NE ARG A 26 0.190 14.101 6.048 1.00 0.00 N ATOM 436 CZ ARG A 26 0.543 15.220 6.677 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.340 15.171 7.737 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.117 16.395 6.233 1.00 0.00 N ATOM 0 H ARG A 26 3.154 13.171 3.255 1.00 0.00 H new ATOM 0 HA ARG A 26 2.571 10.477 3.797 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.997 13.051 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.213 11.522 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.868 11.140 5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.537 12.729 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.330 12.123 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.915 12.807 7.527 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.369 14.185 5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.686 14.273 8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.607 16.032 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.482 16.442 5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.388 17.252 6.716 1.00 0.00 H new ATOM 452 N GLY A 27 1.071 9.582 2.017 1.00 0.00 N ATOM 453 CA GLY A 27 0.432 9.008 0.856 1.00 0.00 C ATOM 454 C GLY A 27 1.418 8.266 -0.013 1.00 0.00 C ATOM 455 O GLY A 27 1.061 7.774 -1.081 1.00 0.00 O ATOM 0 H GLY A 27 1.196 8.942 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.357 8.327 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.044 9.798 0.274 1.00 0.00 H new ATOM 459 N THR A 28 2.667 8.215 0.438 1.00 0.00 N ATOM 460 CA THR A 28 3.688 7.416 -0.217 1.00 0.00 C ATOM 461 C THR A 28 3.441 5.942 0.062 1.00 0.00 C ATOM 462 O THR A 28 3.591 5.483 1.194 1.00 0.00 O ATOM 463 CB THR A 28 5.099 7.813 0.255 1.00 0.00 C ATOM 464 OG1 THR A 28 5.366 9.165 -0.125 1.00 0.00 O ATOM 465 CG2 THR A 28 6.161 6.897 -0.335 1.00 0.00 C ATOM 0 H THR A 28 2.995 8.722 1.260 1.00 0.00 H new ATOM 0 HA THR A 28 3.630 7.600 -1.290 1.00 0.00 H new ATOM 0 HB THR A 28 5.135 7.716 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.253 9.752 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.145 7.205 0.019 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.969 5.870 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.131 6.958 -1.423 1.00 0.00 H new ATOM 473 N PHE A 29 3.052 5.211 -0.965 1.00 0.00 N ATOM 474 CA PHE A 29 2.623 3.836 -0.793 1.00 0.00 C ATOM 475 C PHE A 29 3.373 2.896 -1.722 1.00 0.00 C ATOM 476 O PHE A 29 3.914 3.312 -2.748 1.00 0.00 O ATOM 477 CB PHE A 29 1.123 3.719 -1.073 1.00 0.00 C ATOM 478 CG PHE A 29 0.765 3.902 -2.526 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.724 5.166 -3.092 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.477 2.807 -3.325 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.401 5.334 -4.422 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.155 2.969 -4.656 1.00 0.00 C ATOM 483 CZ PHE A 29 0.116 4.234 -5.207 1.00 0.00 C ATOM 0 H PHE A 29 3.024 5.546 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 29 2.838 3.551 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.775 2.740 -0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.592 4.463 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.948 6.030 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.505 1.815 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.371 6.325 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.067 2.107 -5.267 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.137 4.363 -6.249 1.00 0.00 H new ATOM 493 N LEU A 30 3.393 1.631 -1.341 1.00 0.00 N ATOM 494 CA LEU A 30 3.875 0.566 -2.200 1.00 0.00 C ATOM 495 C LEU A 30 3.167 -0.726 -1.812 1.00 0.00 C ATOM 496 O LEU A 30 3.030 -1.037 -0.626 1.00 0.00 O ATOM 497 CB LEU A 30 5.409 0.412 -2.121 1.00 0.00 C ATOM 498 CG LEU A 30 5.985 -0.278 -0.874 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.499 -0.360 -0.968 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.587 0.448 0.396 1.00 0.00 C ATOM 0 H LEU A 30 3.075 1.314 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 30 3.648 0.813 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.738 -0.146 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.852 1.405 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 30 5.571 -1.285 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.893 -0.851 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.778 -0.933 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.914 0.645 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.011 -0.067 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.963 1.471 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.500 0.463 0.481 1.00 0.00 H new ATOM 512 N VAL A 31 2.668 -1.451 -2.794 1.00 0.00 N ATOM 513 CA VAL A 31 1.933 -2.671 -2.509 1.00 0.00 C ATOM 514 C VAL A 31 2.789 -3.898 -2.781 1.00 0.00 C ATOM 515 O VAL A 31 3.190 -4.174 -3.915 1.00 0.00 O ATOM 516 CB VAL A 31 0.591 -2.738 -3.280 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.780 -2.437 -4.749 1.00 0.00 C ATOM 518 CG2 VAL A 31 -0.077 -4.092 -3.097 1.00 0.00 C ATOM 0 H VAL A 31 2.755 -1.222 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 31 1.686 -2.659 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.062 -1.972 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.182 -2.493 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.194 -1.435 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.464 -3.165 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.017 -4.112 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.581 -4.876 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.274 -4.260 -2.038 1.00 0.00 H new ATOM 528 N ARG A 32 3.088 -4.611 -1.713 1.00 0.00 N ATOM 529 CA ARG A 32 3.900 -5.810 -1.787 1.00 0.00 C ATOM 530 C ARG A 32 3.036 -7.045 -1.534 1.00 0.00 C ATOM 531 O ARG A 32 2.098 -7.006 -0.737 1.00 0.00 O ATOM 532 CB ARG A 32 5.043 -5.730 -0.770 1.00 0.00 C ATOM 533 CG ARG A 32 4.585 -5.394 0.640 1.00 0.00 C ATOM 534 CD ARG A 32 5.757 -5.279 1.602 1.00 0.00 C ATOM 535 NE ARG A 32 5.321 -4.998 2.970 1.00 0.00 N ATOM 536 CZ ARG A 32 5.416 -5.875 3.967 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.926 -7.082 3.736 1.00 0.00 N ATOM 538 NH2 ARG A 32 5.007 -5.545 5.189 1.00 0.00 N ATOM 0 H ARG A 32 2.776 -4.376 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 32 4.330 -5.891 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.570 -6.684 -0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.758 -4.976 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.031 -4.455 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.899 -6.164 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.329 -6.207 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.425 -4.487 1.265 1.00 0.00 H new ATOM 0 HE ARG A 32 4.923 -4.081 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.242 -7.331 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.001 -7.758 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.619 -4.618 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.081 -6.219 5.951 1.00 0.00 H new ATOM 552 N GLU A 33 3.349 -8.123 -2.229 1.00 0.00 N ATOM 553 CA GLU A 33 2.601 -9.366 -2.119 1.00 0.00 C ATOM 554 C GLU A 33 3.093 -10.171 -0.918 1.00 0.00 C ATOM 555 O GLU A 33 4.296 -10.242 -0.661 1.00 0.00 O ATOM 556 CB GLU A 33 2.750 -10.162 -3.423 1.00 0.00 C ATOM 557 CG GLU A 33 1.962 -11.463 -3.468 1.00 0.00 C ATOM 558 CD GLU A 33 1.934 -12.074 -4.855 1.00 0.00 C ATOM 559 OE1 GLU A 33 3.016 -12.224 -5.472 1.00 0.00 O ATOM 560 OE2 GLU A 33 0.831 -12.398 -5.347 1.00 0.00 O ATOM 0 H GLU A 33 4.128 -8.164 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 33 1.544 -9.149 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.434 -9.533 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.805 -10.387 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.401 -12.175 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.941 -11.278 -3.135 1.00 0.00 H new ATOM 567 N SER A 34 2.155 -10.754 -0.180 1.00 0.00 N ATOM 568 CA SER A 34 2.478 -11.464 1.048 1.00 0.00 C ATOM 569 C SER A 34 2.816 -12.926 0.781 1.00 0.00 C ATOM 570 O SER A 34 2.166 -13.597 -0.019 1.00 0.00 O ATOM 571 CB SER A 34 1.306 -11.375 2.032 1.00 0.00 C ATOM 572 OG SER A 34 1.583 -12.085 3.229 1.00 0.00 O ATOM 0 H SER A 34 1.162 -10.748 -0.413 1.00 0.00 H new ATOM 0 HA SER A 34 3.358 -10.989 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.103 -10.330 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.407 -11.779 1.567 1.00 0.00 H new ATOM 0 HG SER A 34 0.819 -12.009 3.838 1.00 0.00 H new ATOM 578 N GLU A 35 3.849 -13.400 1.468 1.00 0.00 N ATOM 579 CA GLU A 35 4.255 -14.797 1.400 1.00 0.00 C ATOM 580 C GLU A 35 3.598 -15.594 2.521 1.00 0.00 C ATOM 581 O GLU A 35 3.558 -16.822 2.485 1.00 0.00 O ATOM 582 CB GLU A 35 5.778 -14.899 1.520 1.00 0.00 C ATOM 583 CG GLU A 35 6.530 -14.319 0.335 1.00 0.00 C ATOM 584 CD GLU A 35 6.561 -15.259 -0.850 1.00 0.00 C ATOM 585 OE1 GLU A 35 5.491 -15.573 -1.402 1.00 0.00 O ATOM 586 OE2 GLU A 35 7.668 -15.694 -1.239 1.00 0.00 O ATOM 0 H GLU A 35 4.426 -12.829 2.085 1.00 0.00 H new ATOM 0 HA GLU A 35 3.938 -15.209 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.096 -14.384 2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.054 -15.947 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.063 -13.380 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.551 -14.086 0.636 1.00 0.00 H new ATOM 593 N THR A 36 3.077 -14.884 3.512 1.00 0.00 N ATOM 594 CA THR A 36 2.549 -15.517 4.709 1.00 0.00 C ATOM 595 C THR A 36 1.030 -15.659 4.672 1.00 0.00 C ATOM 596 O THR A 36 0.435 -16.259 5.567 1.00 0.00 O ATOM 597 CB THR A 36 2.961 -14.723 5.961 1.00 0.00 C ATOM 598 OG1 THR A 36 2.848 -13.315 5.705 1.00 0.00 O ATOM 599 CG2 THR A 36 4.388 -15.058 6.371 1.00 0.00 C ATOM 0 H THR A 36 3.009 -13.866 3.509 1.00 0.00 H new ATOM 0 HA THR A 36 2.975 -16.520 4.749 1.00 0.00 H new ATOM 0 HB THR A 36 2.293 -14.999 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.110 -12.815 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.656 -14.484 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.463 -16.123 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.069 -14.807 5.557 1.00 0.00 H new ATOM 607 N THR A 37 0.395 -15.105 3.649 1.00 0.00 N ATOM 608 CA THR A 37 -1.054 -15.182 3.536 1.00 0.00 C ATOM 609 C THR A 37 -1.481 -15.210 2.071 1.00 0.00 C ATOM 610 O THR A 37 -1.029 -14.392 1.268 1.00 0.00 O ATOM 611 CB THR A 37 -1.729 -13.992 4.249 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.182 -13.840 5.566 1.00 0.00 O ATOM 613 CG2 THR A 37 -3.235 -14.198 4.350 1.00 0.00 C ATOM 0 H THR A 37 0.856 -14.601 2.891 1.00 0.00 H new ATOM 0 HA THR A 37 -1.373 -16.106 4.018 1.00 0.00 H new ATOM 0 HB THR A 37 -1.539 -13.093 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.613 -13.082 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.686 -13.345 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.657 -14.291 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.441 -15.106 4.916 1.00 0.00 H new ATOM 621 N LYS A 38 -2.356 -16.148 1.732 1.00 0.00 N ATOM 622 CA LYS A 38 -2.814 -16.310 0.360 1.00 0.00 C ATOM 623 C LYS A 38 -3.924 -15.320 0.050 1.00 0.00 C ATOM 624 O LYS A 38 -4.968 -15.320 0.708 1.00 0.00 O ATOM 625 CB LYS A 38 -3.327 -17.730 0.110 1.00 0.00 C ATOM 626 CG LYS A 38 -2.275 -18.822 0.228 1.00 0.00 C ATOM 627 CD LYS A 38 -1.949 -19.150 1.675 1.00 0.00 C ATOM 628 CE LYS A 38 -1.064 -20.380 1.773 1.00 0.00 C ATOM 629 NZ LYS A 38 -1.713 -21.576 1.176 1.00 0.00 N ATOM 0 H LYS A 38 -2.764 -16.810 2.392 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.961 -16.123 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.129 -17.941 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.763 -17.772 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.629 -19.721 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.367 -18.506 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.448 -18.300 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.872 -19.318 2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.118 -20.189 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.831 -20.577 2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.576 -22.395 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.731 -21.397 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.288 -21.775 0.248 1.00 0.00 H new ATOM 643 N GLY A 39 -3.696 -14.488 -0.955 1.00 0.00 N ATOM 644 CA GLY A 39 -4.686 -13.503 -1.338 1.00 0.00 C ATOM 645 C GLY A 39 -4.650 -12.283 -0.447 1.00 0.00 C ATOM 646 O GLY A 39 -5.674 -11.647 -0.207 1.00 0.00 O ATOM 0 H GLY A 39 -2.842 -14.477 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.515 -13.201 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.678 -13.952 -1.297 1.00 0.00 H new ATOM 650 N ALA A 40 -3.466 -11.965 0.050 1.00 0.00 N ATOM 651 CA ALA A 40 -3.281 -10.804 0.897 1.00 0.00 C ATOM 652 C ALA A 40 -2.110 -9.975 0.403 1.00 0.00 C ATOM 653 O ALA A 40 -1.020 -10.498 0.164 1.00 0.00 O ATOM 654 CB ALA A 40 -3.067 -11.222 2.341 1.00 0.00 C ATOM 0 H ALA A 40 -2.615 -12.500 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.183 -10.194 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.930 -10.335 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.936 -11.778 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.181 -11.853 2.410 1.00 0.00 H new ATOM 660 N TYR A 41 -2.346 -8.691 0.228 1.00 0.00 N ATOM 661 CA TYR A 41 -1.306 -7.778 -0.208 1.00 0.00 C ATOM 662 C TYR A 41 -1.097 -6.701 0.837 1.00 0.00 C ATOM 663 O TYR A 41 -2.026 -6.321 1.540 1.00 0.00 O ATOM 664 CB TYR A 41 -1.665 -7.167 -1.564 1.00 0.00 C ATOM 665 CG TYR A 41 -1.650 -8.179 -2.687 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.758 -8.980 -2.947 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.519 -8.351 -3.475 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.736 -9.918 -3.960 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.492 -9.290 -4.486 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.601 -10.070 -4.726 1.00 0.00 C ATOM 671 OH TYR A 41 -1.569 -11.012 -5.728 1.00 0.00 O ATOM 0 H TYR A 41 -3.254 -8.253 0.382 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.373 -8.329 -0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.655 -6.714 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.962 -6.366 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.649 -8.866 -2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.353 -7.740 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.605 -10.530 -4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.397 -9.413 -5.087 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.746 -11.539 -5.655 1.00 0.00 H new ATOM 681 N CYS A 42 0.128 -6.232 0.959 1.00 0.00 N ATOM 682 CA CYS A 42 0.451 -5.248 1.970 1.00 0.00 C ATOM 683 C CYS A 42 0.626 -3.875 1.341 1.00 0.00 C ATOM 684 O CYS A 42 1.702 -3.544 0.842 1.00 0.00 O ATOM 685 CB CYS A 42 1.721 -5.658 2.716 1.00 0.00 C ATOM 686 SG CYS A 42 1.681 -7.351 3.350 1.00 0.00 S ATOM 0 H CYS A 42 0.913 -6.515 0.373 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.373 -5.197 2.682 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.575 -5.551 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.880 -4.972 3.548 1.00 0.00 H new ATOM 0 HG CYS A 42 2.797 -7.611 3.964 1.00 0.00 H new ATOM 692 N LEU A 43 -0.443 -3.092 1.345 1.00 0.00 N ATOM 693 CA LEU A 43 -0.374 -1.713 0.891 1.00 0.00 C ATOM 694 C LEU A 43 0.255 -0.889 2.006 1.00 0.00 C ATOM 695 O LEU A 43 -0.436 -0.379 2.888 1.00 0.00 O ATOM 696 CB LEU A 43 -1.777 -1.189 0.536 1.00 0.00 C ATOM 697 CG LEU A 43 -1.847 0.074 -0.350 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.312 1.301 0.374 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.100 -0.132 -1.660 1.00 0.00 C ATOM 0 H LEU A 43 -1.367 -3.389 1.658 1.00 0.00 H new ATOM 0 HA LEU A 43 0.232 -1.639 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.320 -1.988 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.307 -0.981 1.466 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.899 0.248 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.378 2.169 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.903 1.480 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.271 1.135 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.167 0.774 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.053 -0.353 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.545 -0.965 -2.205 1.00 0.00 H new ATOM 711 N SER A 44 1.570 -0.802 1.983 1.00 0.00 N ATOM 712 CA SER A 44 2.303 -0.096 3.012 1.00 0.00 C ATOM 713 C SER A 44 2.408 1.377 2.641 1.00 0.00 C ATOM 714 O SER A 44 3.017 1.732 1.632 1.00 0.00 O ATOM 715 CB SER A 44 3.687 -0.724 3.169 1.00 0.00 C ATOM 716 OG SER A 44 3.585 -2.140 3.235 1.00 0.00 O ATOM 0 H SER A 44 2.155 -1.215 1.257 1.00 0.00 H new ATOM 0 HA SER A 44 1.779 -0.173 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.320 -0.438 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.165 -0.345 4.073 1.00 0.00 H new ATOM 0 HG SER A 44 3.784 -2.440 4.146 1.00 0.00 H new ATOM 722 N VAL A 45 1.784 2.230 3.436 1.00 0.00 N ATOM 723 CA VAL A 45 1.756 3.652 3.138 1.00 0.00 C ATOM 724 C VAL A 45 2.394 4.463 4.264 1.00 0.00 C ATOM 725 O VAL A 45 2.241 4.142 5.447 1.00 0.00 O ATOM 726 CB VAL A 45 0.309 4.141 2.878 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.554 4.001 4.122 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.303 5.577 2.376 1.00 0.00 C ATOM 0 H VAL A 45 1.292 1.964 4.289 1.00 0.00 H new ATOM 0 HA VAL A 45 2.339 3.807 2.230 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.120 3.507 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.563 4.353 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.591 2.954 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.127 4.596 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.724 5.897 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.763 6.225 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.866 5.639 1.445 1.00 0.00 H new ATOM 738 N SER A 46 3.132 5.498 3.881 1.00 0.00 N ATOM 739 CA SER A 46 3.771 6.382 4.837 1.00 0.00 C ATOM 740 C SER A 46 2.803 7.457 5.310 1.00 0.00 C ATOM 741 O SER A 46 2.156 8.140 4.507 1.00 0.00 O ATOM 742 CB SER A 46 5.023 7.024 4.236 1.00 0.00 C ATOM 743 OG SER A 46 5.639 7.915 5.151 1.00 0.00 O ATOM 0 H SER A 46 3.301 5.744 2.906 1.00 0.00 H new ATOM 0 HA SER A 46 4.071 5.783 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.731 6.246 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.757 7.562 3.326 1.00 0.00 H new ATOM 0 HG SER A 46 6.293 8.470 4.677 1.00 0.00 H new ATOM 749 N ASP A 47 2.723 7.584 6.617 1.00 0.00 N ATOM 750 CA ASP A 47 1.847 8.538 7.274 1.00 0.00 C ATOM 751 C ASP A 47 2.669 9.436 8.184 1.00 0.00 C ATOM 752 O ASP A 47 2.525 9.429 9.410 1.00 0.00 O ATOM 753 CB ASP A 47 0.807 7.799 8.094 1.00 0.00 C ATOM 754 CG ASP A 47 -0.241 8.716 8.698 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.694 9.645 8.003 1.00 0.00 O ATOM 756 OD2 ASP A 47 -0.630 8.480 9.866 1.00 0.00 O ATOM 0 H ASP A 47 3.272 7.020 7.266 1.00 0.00 H new ATOM 0 HA ASP A 47 1.345 9.145 6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.313 7.060 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.306 7.252 8.894 1.00 0.00 H new ATOM 761 N PHE A 48 3.581 10.148 7.573 1.00 0.00 N ATOM 762 CA PHE A 48 4.435 11.090 8.282 1.00 0.00 C ATOM 763 C PHE A 48 3.628 12.251 8.853 1.00 0.00 C ATOM 764 O PHE A 48 3.105 13.090 8.123 1.00 0.00 O ATOM 765 CB PHE A 48 5.539 11.613 7.360 1.00 0.00 C ATOM 766 CG PHE A 48 6.306 12.777 7.928 1.00 0.00 C ATOM 767 CD1 PHE A 48 7.131 12.613 9.030 1.00 0.00 C ATOM 768 CD2 PHE A 48 6.200 14.036 7.357 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.834 13.681 9.551 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.900 15.107 7.876 1.00 0.00 C ATOM 771 CZ PHE A 48 7.717 14.929 8.974 1.00 0.00 C ATOM 0 H PHE A 48 3.759 10.097 6.570 1.00 0.00 H new ATOM 0 HA PHE A 48 4.895 10.559 9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.235 10.802 7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.095 11.911 6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.225 11.639 9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.563 14.181 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.475 13.540 10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.808 16.083 7.423 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.264 15.766 9.381 1.00 0.00 H new ATOM 781 N ASP A 49 3.539 12.288 10.162 1.00 0.00 N ATOM 782 CA ASP A 49 2.870 13.372 10.857 1.00 0.00 C ATOM 783 C ASP A 49 3.879 14.139 11.684 1.00 0.00 C ATOM 784 O ASP A 49 4.805 13.562 12.238 1.00 0.00 O ATOM 785 CB ASP A 49 1.742 12.831 11.736 1.00 0.00 C ATOM 786 CG ASP A 49 1.205 13.854 12.713 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.424 14.735 12.297 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.555 13.772 13.908 1.00 0.00 O ATOM 0 H ASP A 49 3.926 11.572 10.777 1.00 0.00 H new ATOM 0 HA ASP A 49 2.426 14.048 10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.928 12.484 11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.105 11.965 12.289 1.00 0.00 H new ATOM 793 N ASN A 50 3.692 15.440 11.764 1.00 0.00 N ATOM 794 CA ASN A 50 4.695 16.320 12.356 1.00 0.00 C ATOM 795 C ASN A 50 4.717 16.216 13.880 1.00 0.00 C ATOM 796 O ASN A 50 5.652 16.692 14.527 1.00 0.00 O ATOM 797 CB ASN A 50 4.441 17.771 11.937 1.00 0.00 C ATOM 798 CG ASN A 50 5.602 18.700 12.259 1.00 0.00 C ATOM 799 OD1 ASN A 50 5.399 19.871 12.579 1.00 0.00 O ATOM 800 ND2 ASN A 50 6.826 18.200 12.141 1.00 0.00 N ATOM 0 H ASN A 50 2.856 15.918 11.428 1.00 0.00 H new ATOM 0 HA ASN A 50 5.669 15.999 11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.244 17.804 10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.543 18.135 12.437 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.638 18.792 12.318 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.955 17.224 11.874 1.00 0.00 H new ATOM 807 N ALA A 51 3.707 15.581 14.457 1.00 0.00 N ATOM 808 CA ALA A 51 3.610 15.485 15.906 1.00 0.00 C ATOM 809 C ALA A 51 3.996 14.094 16.396 1.00 0.00 C ATOM 810 O ALA A 51 4.729 13.950 17.376 1.00 0.00 O ATOM 811 CB ALA A 51 2.205 15.840 16.367 1.00 0.00 C ATOM 0 H ALA A 51 2.948 15.128 13.948 1.00 0.00 H new ATOM 0 HA ALA A 51 4.313 16.198 16.338 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.148 15.764 17.453 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.969 16.859 16.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.490 15.152 15.917 1.00 0.00 H new ATOM 817 N LYS A 52 3.501 13.068 15.713 1.00 0.00 N ATOM 818 CA LYS A 52 3.745 11.687 16.131 1.00 0.00 C ATOM 819 C LYS A 52 4.839 11.034 15.296 1.00 0.00 C ATOM 820 O LYS A 52 5.293 9.926 15.592 1.00 0.00 O ATOM 821 CB LYS A 52 2.451 10.880 16.059 1.00 0.00 C ATOM 822 CG LYS A 52 1.848 10.782 14.670 1.00 0.00 C ATOM 823 CD LYS A 52 0.445 10.193 14.715 1.00 0.00 C ATOM 824 CE LYS A 52 -0.493 11.044 15.559 1.00 0.00 C ATOM 825 NZ LYS A 52 -0.645 12.417 15.008 1.00 0.00 N ATOM 0 H LYS A 52 2.931 13.162 14.872 1.00 0.00 H new ATOM 0 HA LYS A 52 4.092 11.703 17.164 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.644 9.873 16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.719 11.331 16.729 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.814 11.772 14.215 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.484 10.163 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.051 10.112 13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.487 9.183 15.123 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.470 10.564 15.611 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.112 11.102 16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.251 12.979 15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.290 12.867 14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.080 12.366 14.065 1.00 0.00 H new ATOM 839 N GLY A 53 5.247 11.720 14.245 1.00 0.00 N ATOM 840 CA GLY A 53 6.388 11.287 13.461 1.00 0.00 C ATOM 841 C GLY A 53 6.020 10.369 12.312 1.00 0.00 C ATOM 842 O GLY A 53 4.935 10.475 11.740 1.00 0.00 O ATOM 0 H GLY A 53 4.806 12.578 13.915 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.900 12.164 13.065 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.094 10.773 14.114 1.00 0.00 H new ATOM 846 N LEU A 54 6.932 9.466 11.983 1.00 0.00 N ATOM 847 CA LEU A 54 6.749 8.540 10.874 1.00 0.00 C ATOM 848 C LEU A 54 5.877 7.363 11.281 1.00 0.00 C ATOM 849 O LEU A 54 6.261 6.562 12.134 1.00 0.00 O ATOM 850 CB LEU A 54 8.103 8.017 10.391 1.00 0.00 C ATOM 851 CG LEU A 54 9.002 9.044 9.704 1.00 0.00 C ATOM 852 CD1 LEU A 54 10.400 8.479 9.524 1.00 0.00 C ATOM 853 CD2 LEU A 54 8.420 9.446 8.357 1.00 0.00 C ATOM 0 H LEU A 54 7.818 9.354 12.476 1.00 0.00 H new ATOM 0 HA LEU A 54 6.255 9.083 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.639 7.606 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.928 7.193 9.699 1.00 0.00 H new ATOM 0 HG LEU A 54 9.059 9.931 10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.031 9.220 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.821 8.232 10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.353 7.579 8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.073 10.178 7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.337 8.566 7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.432 9.883 8.503 1.00 0.00 H new ATOM 865 N ASN A 55 4.708 7.262 10.678 1.00 0.00 N ATOM 866 CA ASN A 55 3.834 6.122 10.901 1.00 0.00 C ATOM 867 C ASN A 55 3.692 5.346 9.603 1.00 0.00 C ATOM 868 O ASN A 55 3.327 5.913 8.581 1.00 0.00 O ATOM 869 CB ASN A 55 2.445 6.566 11.379 1.00 0.00 C ATOM 870 CG ASN A 55 2.502 7.576 12.506 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.592 7.218 13.683 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.426 8.848 12.154 1.00 0.00 N ATOM 0 H ASN A 55 4.339 7.956 10.028 1.00 0.00 H new ATOM 0 HA ASN A 55 4.276 5.496 11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.899 6.997 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.884 5.692 11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.441 9.576 12.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.353 9.101 11.169 1.00 0.00 H new ATOM 879 N VAL A 56 4.007 4.067 9.623 1.00 0.00 N ATOM 880 CA VAL A 56 3.854 3.254 8.429 1.00 0.00 C ATOM 881 C VAL A 56 2.740 2.243 8.618 1.00 0.00 C ATOM 882 O VAL A 56 2.823 1.352 9.466 1.00 0.00 O ATOM 883 CB VAL A 56 5.164 2.542 8.041 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.941 1.595 6.871 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.232 3.569 7.699 1.00 0.00 C ATOM 0 H VAL A 56 4.366 3.571 10.439 1.00 0.00 H new ATOM 0 HA VAL A 56 3.594 3.925 7.610 1.00 0.00 H new ATOM 0 HB VAL A 56 5.502 1.951 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.880 1.104 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.202 0.843 7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.581 2.159 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.155 3.057 7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.894 4.180 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.413 4.207 8.564 1.00 0.00 H new ATOM 895 N LYS A 57 1.687 2.401 7.837 1.00 0.00 N ATOM 896 CA LYS A 57 0.523 1.545 7.958 1.00 0.00 C ATOM 897 C LYS A 57 0.579 0.436 6.918 1.00 0.00 C ATOM 898 O LYS A 57 0.373 0.680 5.729 1.00 0.00 O ATOM 899 CB LYS A 57 -0.766 2.355 7.780 1.00 0.00 C ATOM 900 CG LYS A 57 -0.734 3.731 8.429 1.00 0.00 C ATOM 901 CD LYS A 57 -2.104 4.393 8.383 1.00 0.00 C ATOM 902 CE LYS A 57 -2.057 5.834 8.868 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.601 5.949 10.277 1.00 0.00 N ATOM 0 H LYS A 57 1.615 3.115 7.112 1.00 0.00 H new ATOM 0 HA LYS A 57 0.525 1.105 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.963 2.473 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.598 1.788 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.406 3.640 9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.006 4.360 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.485 4.366 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.802 3.826 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.389 6.408 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.048 6.278 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.344 6.936 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.367 5.653 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.772 5.338 10.425 1.00 0.00 H new ATOM 917 N HIS A 58 0.889 -0.770 7.366 1.00 0.00 N ATOM 918 CA HIS A 58 0.894 -1.928 6.481 1.00 0.00 C ATOM 919 C HIS A 58 -0.529 -2.447 6.317 1.00 0.00 C ATOM 920 O HIS A 58 -0.954 -3.357 7.030 1.00 0.00 O ATOM 921 CB HIS A 58 1.800 -3.041 7.032 1.00 0.00 C ATOM 922 CG HIS A 58 3.238 -2.640 7.214 1.00 0.00 C ATOM 923 ND1 HIS A 58 4.209 -3.015 6.315 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.813 -1.917 8.206 1.00 0.00 C ATOM 925 CE1 HIS A 58 5.343 -2.516 6.777 1.00 0.00 C ATOM 926 NE2 HIS A 58 5.154 -1.843 7.923 1.00 0.00 N ATOM 0 H HIS A 58 1.140 -0.974 8.333 1.00 0.00 H new ATOM 0 HA HIS A 58 1.287 -1.623 5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.404 -3.373 7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.757 -3.895 6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.311 -1.482 9.058 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.301 -2.635 6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.868 -1.369 8.476 1.00 0.00 H new ATOM 934 N TYR A 59 -1.272 -1.843 5.397 1.00 0.00 N ATOM 935 CA TYR A 59 -2.669 -2.203 5.189 1.00 0.00 C ATOM 936 C TYR A 59 -2.814 -3.609 4.625 1.00 0.00 C ATOM 937 O TYR A 59 -2.206 -3.958 3.610 1.00 0.00 O ATOM 938 CB TYR A 59 -3.360 -1.194 4.271 1.00 0.00 C ATOM 939 CG TYR A 59 -3.834 0.047 4.992 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.028 0.040 5.701 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.090 1.221 4.972 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.470 1.167 6.369 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.526 2.352 5.640 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.716 2.319 6.337 1.00 0.00 C ATOM 945 OH TYR A 59 -5.152 3.444 7.006 1.00 0.00 O ATOM 0 H TYR A 59 -0.931 -1.103 4.784 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.154 -2.183 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.671 -0.904 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.213 -1.675 3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.622 -0.862 5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.158 1.251 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.402 1.144 6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.937 3.257 5.616 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.680 3.519 7.862 1.00 0.00 H new ATOM 955 N LYS A 60 -3.629 -4.403 5.304 1.00 0.00 N ATOM 956 CA LYS A 60 -3.892 -5.777 4.909 1.00 0.00 C ATOM 957 C LYS A 60 -4.954 -5.824 3.815 1.00 0.00 C ATOM 958 O LYS A 60 -6.153 -5.778 4.103 1.00 0.00 O ATOM 959 CB LYS A 60 -4.372 -6.585 6.119 1.00 0.00 C ATOM 960 CG LYS A 60 -3.380 -6.635 7.273 1.00 0.00 C ATOM 961 CD LYS A 60 -2.240 -7.608 7.004 1.00 0.00 C ATOM 962 CE LYS A 60 -1.306 -7.708 8.203 1.00 0.00 C ATOM 963 NZ LYS A 60 -0.332 -8.822 8.065 1.00 0.00 N ATOM 0 H LYS A 60 -4.127 -4.111 6.145 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.968 -6.209 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.308 -6.158 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.589 -7.604 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.973 -5.638 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.900 -6.929 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.646 -8.593 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.679 -7.281 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.766 -6.768 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.895 -7.853 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.283 -8.852 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.845 -9.723 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.249 -8.672 7.215 1.00 0.00 H new ATOM 977 N ILE A 61 -4.514 -5.893 2.568 1.00 0.00 N ATOM 978 CA ILE A 61 -5.428 -6.050 1.448 1.00 0.00 C ATOM 979 C ILE A 61 -5.934 -7.485 1.408 1.00 0.00 C ATOM 980 O ILE A 61 -5.247 -8.380 0.913 1.00 0.00 O ATOM 981 CB ILE A 61 -4.757 -5.716 0.097 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.185 -4.296 0.116 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.752 -5.871 -1.046 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.488 -3.901 -1.171 1.00 0.00 C ATOM 0 H ILE A 61 -3.529 -5.843 2.306 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.252 -5.352 1.595 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.937 -6.416 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.993 -3.591 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.479 -4.209 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.262 -5.632 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.115 -6.898 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.592 -5.194 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.109 -2.883 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.658 -4.582 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.195 -3.954 -1.999 1.00 0.00 H new ATOM 996 N ARG A 62 -7.116 -7.699 1.958 1.00 0.00 N ATOM 997 CA ARG A 62 -7.704 -9.025 2.006 1.00 0.00 C ATOM 998 C ARG A 62 -8.573 -9.263 0.783 1.00 0.00 C ATOM 999 O ARG A 62 -9.308 -8.376 0.348 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.536 -9.198 3.282 1.00 0.00 C ATOM 1001 CG ARG A 62 -9.332 -10.496 3.314 1.00 0.00 C ATOM 1002 CD ARG A 62 -10.151 -10.633 4.585 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.317 -10.909 5.753 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.800 -11.133 6.974 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -11.111 -11.102 7.192 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -8.973 -11.402 7.975 1.00 0.00 N ATOM 0 H ARG A 62 -7.689 -6.968 2.379 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.897 -9.758 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.873 -9.166 4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.223 -8.357 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.995 -10.535 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.649 -11.342 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.715 -9.715 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.878 -11.436 4.462 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.305 -10.931 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.751 -10.906 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.476 -11.274 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.967 -11.437 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.343 -11.574 8.910 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.469 -10.452 0.219 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.322 -10.843 -0.886 1.00 0.00 C ATOM 1022 C LYS A 63 -10.565 -11.546 -0.360 1.00 0.00 C ATOM 1023 O LYS A 63 -10.548 -12.162 0.709 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.591 -11.796 -1.832 1.00 0.00 C ATOM 1025 CG LYS A 63 -8.448 -13.200 -1.270 1.00 0.00 C ATOM 1026 CD LYS A 63 -8.051 -14.202 -2.336 1.00 0.00 C ATOM 1027 CE LYS A 63 -8.123 -15.623 -1.799 1.00 0.00 C ATOM 1028 NZ LYS A 63 -7.835 -16.632 -2.848 1.00 0.00 N ATOM 0 H LYS A 63 -7.800 -11.165 0.510 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.599 -9.939 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.130 -11.843 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.601 -11.395 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.700 -13.199 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.391 -13.507 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.710 -14.101 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.039 -13.990 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.411 -15.737 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.115 -15.804 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.895 -17.586 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.529 -16.541 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.878 -16.477 -3.225 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.640 -11.438 -1.107 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.811 -12.253 -0.872 1.00 0.00 C ATOM 1044 C LEU A 64 -12.646 -13.580 -1.589 1.00 0.00 C ATOM 1045 O LEU A 64 -11.869 -13.660 -2.542 1.00 0.00 O ATOM 1046 CB LEU A 64 -14.073 -11.539 -1.353 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.470 -10.306 -0.541 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.707 -9.661 -1.135 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.709 -10.685 0.913 1.00 0.00 C ATOM 0 H LEU A 64 -11.728 -10.789 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.915 -12.429 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.929 -11.240 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.901 -12.248 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.654 -9.585 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.978 -8.784 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.502 -9.360 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.531 -10.375 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.991 -9.797 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.511 -11.421 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.797 -11.109 1.333 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.358 -14.605 -1.145 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.202 -15.954 -1.694 1.00 0.00 C ATOM 1063 C ASP A 65 -13.302 -15.965 -3.221 1.00 0.00 C ATOM 1064 O ASP A 65 -12.488 -16.595 -3.902 1.00 0.00 O ATOM 1065 CB ASP A 65 -14.252 -16.886 -1.090 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.188 -18.294 -1.652 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -13.345 -19.087 -1.186 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -14.996 -18.617 -2.550 1.00 0.00 O ATOM 0 H ASP A 65 -14.054 -14.533 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.205 -16.307 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.116 -16.926 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.244 -16.473 -1.272 1.00 0.00 H new ATOM 1073 N SER A 66 -14.281 -15.238 -3.751 1.00 0.00 N ATOM 1074 CA SER A 66 -14.519 -15.189 -5.191 1.00 0.00 C ATOM 1075 C SER A 66 -13.378 -14.483 -5.937 1.00 0.00 C ATOM 1076 O SER A 66 -13.131 -14.761 -7.113 1.00 0.00 O ATOM 1077 CB SER A 66 -15.848 -14.492 -5.472 1.00 0.00 C ATOM 1078 OG SER A 66 -16.902 -15.092 -4.734 1.00 0.00 O ATOM 0 H SER A 66 -14.926 -14.671 -3.201 1.00 0.00 H new ATOM 0 HA SER A 66 -14.561 -16.214 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.772 -13.436 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.071 -14.542 -6.538 1.00 0.00 H new ATOM 0 HG SER A 66 -17.743 -14.628 -4.929 1.00 0.00 H new ATOM 1084 N GLY A 67 -12.684 -13.581 -5.249 1.00 0.00 N ATOM 1085 CA GLY A 67 -11.564 -12.889 -5.863 1.00 0.00 C ATOM 1086 C GLY A 67 -11.707 -11.376 -5.845 1.00 0.00 C ATOM 1087 O GLY A 67 -11.409 -10.708 -6.837 1.00 0.00 O ATOM 0 H GLY A 67 -12.875 -13.318 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.646 -13.166 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.460 -13.225 -6.895 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.156 -10.832 -4.721 1.00 0.00 N ATOM 1092 CA GLY A 68 -12.281 -9.393 -4.594 1.00 0.00 C ATOM 1093 C GLY A 68 -11.352 -8.836 -3.535 1.00 0.00 C ATOM 1094 O GLY A 68 -11.567 -9.051 -2.346 1.00 0.00 O ATOM 0 H GLY A 68 -12.436 -11.361 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.061 -8.924 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.311 -9.139 -4.343 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.319 -8.132 -3.968 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.338 -7.560 -3.057 1.00 0.00 C ATOM 1100 C PHE A 69 -9.822 -6.212 -2.545 1.00 0.00 C ATOM 1101 O PHE A 69 -10.232 -5.351 -3.328 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.989 -7.387 -3.764 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.421 -8.663 -4.318 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.623 -9.476 -3.532 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.680 -9.045 -5.624 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.094 -10.649 -4.038 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -7.155 -10.217 -6.136 1.00 0.00 C ATOM 1108 CZ PHE A 69 -6.361 -11.019 -5.340 1.00 0.00 C ATOM 0 H PHE A 69 -10.136 -7.941 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.212 -8.240 -2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.106 -6.670 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.275 -6.958 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.411 -9.191 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.300 -8.420 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.473 -11.275 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.365 -10.505 -7.156 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.949 -11.935 -5.737 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.782 -6.024 -1.237 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.232 -4.778 -0.650 1.00 0.00 C ATOM 1120 C TYR A 70 -9.365 -4.381 0.539 1.00 0.00 C ATOM 1121 O TYR A 70 -8.889 -5.228 1.298 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.704 -4.890 -0.224 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.970 -5.899 0.874 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.900 -5.527 2.210 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.295 -7.219 0.579 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.145 -6.434 3.219 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.542 -8.131 1.586 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.465 -7.734 2.902 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.716 -8.635 3.910 1.00 0.00 O ATOM 0 H TYR A 70 -9.444 -6.715 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.141 -3.998 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.047 -3.911 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.301 -5.156 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.649 -4.508 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.355 -7.535 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.086 -6.126 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.795 -9.152 1.342 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.928 -9.509 3.522 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.139 -3.081 0.670 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.492 -2.524 1.847 1.00 0.00 C ATOM 1141 C ILE A 71 -9.566 -2.123 2.847 1.00 0.00 C ATOM 1142 O ILE A 71 -9.431 -2.313 4.054 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.624 -1.294 1.492 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.463 -1.705 0.582 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.106 -0.615 2.754 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.581 -0.549 0.156 1.00 0.00 C ATOM 0 H ILE A 71 -9.397 -2.388 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.832 -3.280 2.274 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.246 -0.578 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.852 -2.444 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.865 -2.190 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.498 0.247 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.949 -0.286 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.500 -1.320 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.782 -0.919 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.177 0.181 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.149 -0.077 1.038 1.00 0.00 H new ATOM 1158 N THR A 72 -10.640 -1.576 2.314 1.00 0.00 N ATOM 1159 CA THR A 72 -11.811 -1.245 3.098 1.00 0.00 C ATOM 1160 C THR A 72 -12.973 -2.114 2.636 1.00 0.00 C ATOM 1161 O THR A 72 -13.055 -2.479 1.463 1.00 0.00 O ATOM 1162 CB THR A 72 -12.165 0.251 2.955 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.453 0.524 3.519 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.139 0.675 1.496 1.00 0.00 C ATOM 0 H THR A 72 -10.725 -1.348 1.323 1.00 0.00 H new ATOM 0 HA THR A 72 -11.605 -1.436 4.151 1.00 0.00 H new ATOM 0 HB THR A 72 -11.415 0.825 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.742 1.422 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.392 1.733 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.142 0.510 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.864 0.087 0.933 1.00 0.00 H new ATOM 1172 N SER A 73 -13.861 -2.451 3.561 1.00 0.00 N ATOM 1173 CA SER A 73 -14.956 -3.375 3.283 1.00 0.00 C ATOM 1174 C SER A 73 -15.973 -2.783 2.309 1.00 0.00 C ATOM 1175 O SER A 73 -16.892 -3.474 1.861 1.00 0.00 O ATOM 1176 CB SER A 73 -15.637 -3.775 4.594 1.00 0.00 C ATOM 1177 OG SER A 73 -15.890 -2.639 5.407 1.00 0.00 O ATOM 0 H SER A 73 -13.845 -2.096 4.517 1.00 0.00 H new ATOM 0 HA SER A 73 -14.536 -4.260 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.574 -4.288 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.005 -4.480 5.135 1.00 0.00 H new ATOM 0 HG SER A 73 -16.327 -2.922 6.237 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.808 -1.508 1.985 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.687 -0.845 1.037 1.00 0.00 C ATOM 1185 C ARG A 74 -16.238 -1.110 -0.394 1.00 0.00 C ATOM 1186 O ARG A 74 -16.994 -1.644 -1.205 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.709 0.662 1.279 1.00 0.00 C ATOM 1188 CG ARG A 74 -17.155 1.064 2.671 1.00 0.00 C ATOM 1189 CD ARG A 74 -17.203 2.574 2.795 1.00 0.00 C ATOM 1190 NE ARG A 74 -17.534 3.025 4.145 1.00 0.00 N ATOM 1191 CZ ARG A 74 -16.863 3.984 4.780 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -15.774 4.506 4.230 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -17.268 4.403 5.972 1.00 0.00 N ATOM 0 H ARG A 74 -15.072 -0.913 2.366 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.689 -1.249 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.711 1.061 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.373 1.126 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.139 0.644 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.469 0.653 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.237 2.988 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.940 2.967 2.095 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.318 2.583 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.452 4.173 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.259 5.241 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.095 3.990 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.752 5.138 6.457 1.00 0.00 H new ATOM 1207 N THR A 75 -15.001 -0.747 -0.691 1.00 0.00 N ATOM 1208 CA THR A 75 -14.514 -0.768 -2.059 1.00 0.00 C ATOM 1209 C THR A 75 -13.640 -1.995 -2.333 1.00 0.00 C ATOM 1210 O THR A 75 -12.485 -2.059 -1.916 1.00 0.00 O ATOM 1211 CB THR A 75 -13.718 0.511 -2.361 1.00 0.00 C ATOM 1212 OG1 THR A 75 -14.293 1.613 -1.649 1.00 0.00 O ATOM 1213 CG2 THR A 75 -13.739 0.814 -3.848 1.00 0.00 C ATOM 0 H THR A 75 -14.316 -0.434 -0.003 1.00 0.00 H new ATOM 0 HA THR A 75 -15.384 -0.821 -2.713 1.00 0.00 H new ATOM 0 HB THR A 75 -12.686 0.360 -2.045 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.784 2.428 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.170 1.723 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.293 -0.017 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.769 0.953 -4.176 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.203 -2.958 -3.047 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.490 -4.177 -3.406 1.00 0.00 C ATOM 1223 C GLN A 76 -13.277 -4.252 -4.917 1.00 0.00 C ATOM 1224 O GLN A 76 -14.195 -3.997 -5.699 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.266 -5.402 -2.912 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.753 -5.339 -3.228 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.521 -6.520 -2.675 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.705 -7.529 -3.356 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.974 -6.406 -1.434 1.00 0.00 N ATOM 0 H GLN A 76 -15.162 -2.918 -3.393 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.512 -4.163 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.843 -6.299 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.134 -5.497 -1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -16.168 -4.418 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.889 -5.297 -4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.800 -5.552 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.497 -7.172 -1.010 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.062 -4.590 -5.320 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.722 -4.706 -6.732 1.00 0.00 C ATOM 1240 C PHE A 77 -11.153 -6.084 -7.023 1.00 0.00 C ATOM 1241 O PHE A 77 -10.467 -6.666 -6.191 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.701 -3.642 -7.132 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.226 -2.240 -7.060 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.101 -1.766 -8.024 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -10.840 -1.394 -6.037 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.581 -0.474 -7.969 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.316 -0.102 -5.975 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.189 0.360 -6.943 1.00 0.00 C ATOM 0 H PHE A 77 -11.289 -4.790 -4.685 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.633 -4.558 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.829 -3.727 -6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.362 -3.841 -8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.411 -2.416 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.158 -1.749 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.262 -0.117 -8.727 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.007 0.549 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.563 1.372 -6.896 1.00 0.00 H new ATOM 1258 N SER A 78 -11.418 -6.599 -8.209 1.00 0.00 N ATOM 1259 CA SER A 78 -10.951 -7.924 -8.571 1.00 0.00 C ATOM 1260 C SER A 78 -9.552 -7.844 -9.180 1.00 0.00 C ATOM 1261 O SER A 78 -8.952 -8.858 -9.533 1.00 0.00 O ATOM 1262 CB SER A 78 -11.927 -8.585 -9.547 1.00 0.00 C ATOM 1263 OG SER A 78 -11.800 -9.998 -9.520 1.00 0.00 O ATOM 0 H SER A 78 -11.952 -6.122 -8.936 1.00 0.00 H new ATOM 0 HA SER A 78 -10.901 -8.535 -7.670 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.948 -8.304 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.740 -8.219 -10.557 1.00 0.00 H new ATOM 0 HG SER A 78 -11.691 -10.299 -8.594 1.00 0.00 H new ATOM 1269 N SER A 79 -9.040 -6.627 -9.318 1.00 0.00 N ATOM 1270 CA SER A 79 -7.690 -6.418 -9.810 1.00 0.00 C ATOM 1271 C SER A 79 -7.053 -5.232 -9.099 1.00 0.00 C ATOM 1272 O SER A 79 -7.694 -4.196 -8.895 1.00 0.00 O ATOM 1273 CB SER A 79 -7.708 -6.191 -11.322 1.00 0.00 C ATOM 1274 OG SER A 79 -8.310 -7.286 -11.995 1.00 0.00 O ATOM 0 H SER A 79 -9.544 -5.769 -9.094 1.00 0.00 H new ATOM 0 HA SER A 79 -7.096 -7.308 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.254 -5.276 -11.549 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.689 -6.053 -11.684 1.00 0.00 H new ATOM 0 HG SER A 79 -8.311 -7.116 -12.960 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.791 -5.396 -8.725 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.072 -4.392 -7.949 1.00 0.00 C ATOM 1282 C LEU A 80 -4.877 -3.102 -8.734 1.00 0.00 C ATOM 1283 O LEU A 80 -4.689 -2.041 -8.143 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.717 -4.934 -7.498 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.775 -6.127 -6.540 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.371 -6.595 -6.194 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.543 -5.761 -5.276 1.00 0.00 C ATOM 0 H LEU A 80 -5.239 -6.224 -8.949 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.680 -4.164 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.149 -5.226 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.164 -4.128 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.300 -6.944 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.428 -7.444 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.853 -6.895 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.824 -5.782 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.574 -6.621 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.046 -4.930 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.560 -5.470 -5.540 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.913 -3.199 -10.061 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.847 -2.020 -10.917 1.00 0.00 C ATOM 1301 C GLN A 81 -5.967 -1.047 -10.561 1.00 0.00 C ATOM 1302 O GLN A 81 -5.741 0.148 -10.378 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.966 -2.420 -12.389 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.913 -1.238 -13.345 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.554 -0.565 -13.357 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.530 -1.215 -13.165 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.534 0.740 -13.571 1.00 0.00 N ATOM 0 H GLN A 81 -4.988 -4.082 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.884 -1.535 -10.758 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.161 -3.113 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.904 -2.955 -12.537 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.156 -1.577 -14.352 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.673 -0.510 -13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.407 1.245 -13.727 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.646 1.242 -13.581 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.174 -1.583 -10.442 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.341 -0.779 -10.119 1.00 0.00 C ATOM 1318 C GLN A 82 -8.314 -0.357 -8.655 1.00 0.00 C ATOM 1319 O GLN A 82 -8.861 0.683 -8.284 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.616 -1.564 -10.432 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.827 -1.805 -11.919 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.813 -0.519 -12.724 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -10.193 0.544 -12.231 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -9.374 -0.605 -13.969 1.00 0.00 N ATOM 0 H GLN A 82 -7.369 -2.577 -10.565 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.326 0.124 -10.730 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.578 -2.524 -9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.474 -1.023 -10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.048 -2.471 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.779 -2.314 -12.070 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.068 -1.504 -14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.342 0.228 -14.557 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.655 -1.176 -7.840 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.501 -0.918 -6.414 1.00 0.00 C ATOM 1335 C LEU A 83 -6.786 0.417 -6.191 1.00 0.00 C ATOM 1336 O LEU A 83 -7.372 1.364 -5.669 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.723 -2.093 -5.778 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.534 -2.085 -4.249 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.461 -1.092 -3.822 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.848 -1.790 -3.546 1.00 0.00 C ATOM 0 H LEU A 83 -7.212 -2.040 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.479 -0.845 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.233 -3.018 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.735 -2.128 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.199 -3.080 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.356 -1.114 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.511 -1.361 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.747 -0.089 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.691 -1.789 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.217 -0.814 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.579 -2.555 -3.806 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.534 0.493 -6.617 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.719 1.682 -6.388 1.00 0.00 C ATOM 1354 C VAL A 84 -5.280 2.899 -7.112 1.00 0.00 C ATOM 1355 O VAL A 84 -5.361 3.985 -6.540 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.256 1.465 -6.823 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.474 0.762 -5.724 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.187 0.658 -8.107 1.00 0.00 C ATOM 0 H VAL A 84 -5.058 -0.254 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.745 1.866 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.810 2.443 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.443 0.616 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.488 1.371 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.929 -0.206 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.145 0.518 -8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.654 -0.314 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.713 1.190 -8.900 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.673 2.701 -8.364 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.225 3.772 -9.193 1.00 0.00 C ATOM 1370 C ALA A 85 -7.368 4.508 -8.493 1.00 0.00 C ATOM 1371 O ALA A 85 -7.444 5.737 -8.536 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.699 3.208 -10.525 1.00 0.00 C ATOM 0 H ALA A 85 -5.620 1.798 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.430 4.497 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.109 4.013 -11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.858 2.749 -11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.470 2.458 -10.349 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.247 3.766 -7.835 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.380 4.376 -7.158 1.00 0.00 C ATOM 1380 C TYR A 86 -8.957 4.996 -5.833 1.00 0.00 C ATOM 1381 O TYR A 86 -9.363 6.113 -5.505 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.491 3.351 -6.922 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.694 3.924 -6.209 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.628 4.689 -6.894 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.888 3.712 -4.848 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.724 5.223 -6.244 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.980 4.244 -4.193 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.894 4.998 -4.895 1.00 0.00 C ATOM 1389 OH TYR A 86 -14.982 5.533 -4.245 1.00 0.00 O ATOM 0 H TYR A 86 -8.198 2.750 -7.756 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.763 5.166 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.807 2.942 -7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.092 2.522 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.496 4.869 -7.951 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.173 3.122 -4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.444 5.814 -6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.117 4.070 -3.136 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.955 5.280 -3.299 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.126 4.279 -5.083 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.705 4.729 -3.758 1.00 0.00 C ATOM 1401 C TYR A 87 -6.777 5.939 -3.842 1.00 0.00 C ATOM 1402 O TYR A 87 -6.500 6.592 -2.835 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.027 3.598 -2.985 1.00 0.00 C ATOM 1404 CG TYR A 87 -7.981 2.546 -2.447 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -8.968 1.972 -3.241 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -7.880 2.117 -1.134 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -9.823 1.006 -2.739 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -8.724 1.151 -0.625 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.692 0.597 -1.430 1.00 0.00 C ATOM 1410 OH TYR A 87 -10.530 -0.370 -0.919 1.00 0.00 O ATOM 0 H TYR A 87 -7.730 3.384 -5.369 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.604 5.030 -3.221 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.301 3.113 -3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.470 4.027 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.069 2.286 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.124 2.548 -0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.587 0.576 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.625 0.831 0.402 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.966 -0.848 -1.655 1.00 0.00 H new ATOM 1420 N SER A 88 -6.296 6.234 -5.043 1.00 0.00 N ATOM 1421 CA SER A 88 -5.517 7.443 -5.273 1.00 0.00 C ATOM 1422 C SER A 88 -6.428 8.670 -5.235 1.00 0.00 C ATOM 1423 O SER A 88 -5.982 9.789 -4.986 1.00 0.00 O ATOM 1424 CB SER A 88 -4.795 7.358 -6.619 1.00 0.00 C ATOM 1425 OG SER A 88 -3.930 6.233 -6.667 1.00 0.00 O ATOM 0 H SER A 88 -6.431 5.654 -5.871 1.00 0.00 H new ATOM 0 HA SER A 88 -4.771 7.537 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.527 7.292 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.220 8.269 -6.785 1.00 0.00 H new ATOM 0 HG SER A 88 -4.445 5.434 -6.906 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.715 8.443 -5.472 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.701 9.513 -5.443 1.00 0.00 C ATOM 1433 C LYS A 89 -9.533 9.444 -4.164 1.00 0.00 C ATOM 1434 O LYS A 89 -9.784 10.460 -3.520 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.607 9.437 -6.674 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.909 9.823 -7.970 1.00 0.00 C ATOM 1437 CD LYS A 89 -9.839 9.682 -9.165 1.00 0.00 C ATOM 1438 CE LYS A 89 -10.030 8.226 -9.564 1.00 0.00 C ATOM 1439 NZ LYS A 89 -8.818 7.669 -10.224 1.00 0.00 N ATOM 0 H LYS A 89 -8.100 7.523 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.173 10.467 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.994 8.422 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.465 10.092 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.555 10.852 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.031 9.193 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.807 10.123 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.433 10.240 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.266 7.635 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.882 8.143 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.090 7.202 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.149 8.439 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.366 6.976 -9.593 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.962 8.243 -3.805 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.721 8.034 -2.575 1.00 0.00 C ATOM 1455 C HIS A 90 -10.046 6.969 -1.729 1.00 0.00 C ATOM 1456 O HIS A 90 -9.972 5.809 -2.127 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.165 7.606 -2.874 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.035 8.697 -3.425 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.105 9.234 -2.736 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.003 9.335 -4.620 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.688 10.155 -3.483 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.040 10.233 -4.629 1.00 0.00 N ATOM 0 H HIS A 90 -9.798 7.395 -4.348 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.748 8.979 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.146 6.780 -3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.616 7.227 -1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.293 9.168 -5.417 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.549 10.744 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.273 10.861 -5.399 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.555 7.368 -0.566 1.00 0.00 N ATOM 1472 CA ALA A 91 -8.859 6.449 0.321 1.00 0.00 C ATOM 1473 C ALA A 91 -9.845 5.549 1.041 1.00 0.00 C ATOM 1474 O ALA A 91 -9.600 4.354 1.215 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.024 7.214 1.329 1.00 0.00 C ATOM 0 H ALA A 91 -9.626 8.323 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.199 5.828 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.510 6.511 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.289 7.824 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.672 7.858 1.924 1.00 0.00 H new ATOM 1481 N ASP A 92 -10.955 6.153 1.460 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.054 5.453 2.126 1.00 0.00 C ATOM 1483 C ASP A 92 -11.629 4.895 3.485 1.00 0.00 C ATOM 1484 O ASP A 92 -11.964 5.458 4.530 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.607 4.331 1.241 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.938 3.816 1.742 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -13.954 2.956 2.645 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.983 4.289 1.245 1.00 0.00 O ATOM 0 H ASP A 92 -11.120 7.153 1.346 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.844 6.185 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.721 4.697 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.891 3.510 1.207 1.00 0.00 H new ATOM 1493 N GLY A 93 -10.885 3.797 3.463 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.439 3.168 4.689 1.00 0.00 C ATOM 1495 C GLY A 93 -9.163 3.790 5.219 1.00 0.00 C ATOM 1496 O GLY A 93 -9.010 3.977 6.427 1.00 0.00 O ATOM 0 H GLY A 93 -10.581 3.328 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.222 3.250 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.277 2.105 4.512 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.241 4.104 4.314 1.00 0.00 N ATOM 1501 CA LEU A 94 -6.983 4.737 4.686 1.00 0.00 C ATOM 1502 C LEU A 94 -7.229 6.152 5.198 1.00 0.00 C ATOM 1503 O LEU A 94 -8.183 6.819 4.791 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.020 4.784 3.488 1.00 0.00 C ATOM 1505 CG LEU A 94 -5.690 3.434 2.844 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -6.781 2.999 1.882 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.349 3.496 2.129 1.00 0.00 C ATOM 0 H LEU A 94 -8.344 3.929 3.314 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.530 4.142 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.450 5.433 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.088 5.248 3.813 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.629 2.693 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.516 2.038 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.724 2.904 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.887 3.742 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.132 2.528 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.386 4.259 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.566 3.746 2.845 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.361 6.598 6.098 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.468 7.932 6.678 1.00 0.00 C ATOM 1521 C CYS A 95 -6.072 8.996 5.654 1.00 0.00 C ATOM 1522 O CYS A 95 -6.401 10.173 5.806 1.00 0.00 O ATOM 1523 CB CYS A 95 -5.587 8.036 7.930 1.00 0.00 C ATOM 1524 SG CYS A 95 -5.833 9.542 8.902 1.00 0.00 S ATOM 0 H CYS A 95 -5.571 6.053 6.444 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.505 8.105 6.966 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.780 7.173 8.567 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.541 7.981 7.628 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.240 10.500 8.123 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.372 8.570 4.611 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.965 9.461 3.535 1.00 0.00 C ATOM 1532 C HIS A 96 -4.881 8.677 2.229 1.00 0.00 C ATOM 1533 O HIS A 96 -4.432 7.530 2.213 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.618 10.118 3.866 1.00 0.00 C ATOM 1535 CG HIS A 96 -3.162 11.107 2.836 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.838 12.283 2.620 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.123 11.033 1.973 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -3.202 12.891 1.634 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.155 12.173 1.210 1.00 0.00 N ATOM 0 H HIS A 96 -5.072 7.603 4.488 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.706 10.253 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.696 10.620 4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.861 9.341 3.972 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -4.662 12.618 3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.405 10.230 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.491 13.847 1.222 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.337 9.295 1.144 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.397 8.640 -0.159 1.00 0.00 C ATOM 1549 C ARG A 97 -4.012 8.494 -0.775 1.00 0.00 C ATOM 1550 O ARG A 97 -3.082 9.226 -0.431 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.304 9.429 -1.108 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.843 10.856 -1.359 1.00 0.00 C ATOM 1553 CD ARG A 97 -6.678 11.522 -2.438 1.00 0.00 C ATOM 1554 NE ARG A 97 -6.249 12.895 -2.695 1.00 0.00 N ATOM 1555 CZ ARG A 97 -5.616 13.288 -3.801 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -5.308 12.415 -4.756 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -5.278 14.558 -3.954 1.00 0.00 N ATOM 0 H ARG A 97 -5.673 10.258 1.142 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.809 7.642 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.361 8.903 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.313 9.451 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.912 11.431 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.794 10.855 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.609 10.943 -3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.726 11.520 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.446 13.598 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.556 11.432 -4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.824 12.729 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.502 15.237 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.794 14.859 -4.800 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.894 7.547 -1.700 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.631 7.272 -2.373 1.00 0.00 C ATOM 1573 C LEU A 98 -2.233 8.459 -3.244 1.00 0.00 C ATOM 1574 O LEU A 98 -2.763 8.648 -4.334 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.757 6.004 -3.225 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.268 4.763 -2.484 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.341 3.573 -3.425 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.382 4.438 -1.292 1.00 0.00 C ATOM 0 H LEU A 98 -4.666 6.953 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.856 7.114 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.429 6.211 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.781 5.775 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.271 4.980 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.706 2.701 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.021 3.800 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.348 3.363 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.766 3.554 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.366 4.246 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.378 5.281 -0.601 1.00 0.00 H new ATOM 1590 N THR A 99 -1.308 9.265 -2.745 1.00 0.00 N ATOM 1591 CA THR A 99 -0.926 10.494 -3.420 1.00 0.00 C ATOM 1592 C THR A 99 0.339 10.308 -4.255 1.00 0.00 C ATOM 1593 O THR A 99 0.433 10.802 -5.381 1.00 0.00 O ATOM 1594 CB THR A 99 -0.693 11.619 -2.395 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.798 11.674 -1.487 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.535 12.966 -3.083 1.00 0.00 C ATOM 0 H THR A 99 -0.808 9.089 -1.874 1.00 0.00 H new ATOM 0 HA THR A 99 -1.745 10.765 -4.087 1.00 0.00 H new ATOM 0 HB THR A 99 0.227 11.402 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.474 11.905 -0.591 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.372 13.740 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.318 12.931 -3.760 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.438 13.194 -3.649 1.00 0.00 H new ATOM 1604 N ASN A 100 1.305 9.588 -3.703 1.00 0.00 N ATOM 1605 CA ASN A 100 2.594 9.415 -4.354 1.00 0.00 C ATOM 1606 C ASN A 100 3.107 8.005 -4.149 1.00 0.00 C ATOM 1607 O ASN A 100 3.082 7.478 -3.042 1.00 0.00 O ATOM 1608 CB ASN A 100 3.593 10.451 -3.822 1.00 0.00 C ATOM 1609 CG ASN A 100 5.048 10.078 -4.046 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.600 10.294 -5.123 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.693 9.557 -3.011 1.00 0.00 N ATOM 0 H ASN A 100 1.219 9.114 -2.804 1.00 0.00 H new ATOM 0 HA ASN A 100 2.475 9.573 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.396 11.410 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.424 10.588 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.682 9.321 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.200 9.392 -2.133 1.00 0.00 H new ATOM 1618 N VAL A 101 3.560 7.391 -5.224 1.00 0.00 N ATOM 1619 CA VAL A 101 4.050 6.026 -5.154 1.00 0.00 C ATOM 1620 C VAL A 101 5.481 6.028 -4.637 1.00 0.00 C ATOM 1621 O VAL A 101 6.275 6.894 -5.009 1.00 0.00 O ATOM 1622 CB VAL A 101 3.997 5.320 -6.524 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.108 3.812 -6.345 1.00 0.00 C ATOM 1624 CG2 VAL A 101 2.718 5.676 -7.272 1.00 0.00 C ATOM 0 H VAL A 101 3.600 7.812 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 101 3.401 5.474 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 101 4.843 5.665 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.069 3.326 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.053 3.572 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.282 3.457 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.705 5.165 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.854 5.364 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.678 6.753 -7.432 1.00 0.00 H new ATOM 1634 N CYS A 102 5.794 5.068 -3.771 1.00 0.00 N ATOM 1635 CA CYS A 102 7.101 4.994 -3.130 1.00 0.00 C ATOM 1636 C CYS A 102 8.219 5.008 -4.161 1.00 0.00 C ATOM 1637 O CYS A 102 8.295 4.132 -5.023 1.00 0.00 O ATOM 1638 CB CYS A 102 7.205 3.735 -2.268 1.00 0.00 C ATOM 1639 SG CYS A 102 8.774 3.572 -1.382 1.00 0.00 S ATOM 0 H CYS A 102 5.152 4.324 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 102 7.209 5.872 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.390 3.735 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.067 2.860 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 102 9.743 4.009 -2.131 1.00 0.00 H new ATOM 1645 N PRO A 103 9.085 6.025 -4.097 1.00 0.00 N ATOM 1646 CA PRO A 103 10.229 6.136 -4.993 1.00 0.00 C ATOM 1647 C PRO A 103 11.319 5.140 -4.633 1.00 0.00 C ATOM 1648 O PRO A 103 11.445 4.730 -3.475 1.00 0.00 O ATOM 1649 CB PRO A 103 10.718 7.568 -4.765 1.00 0.00 C ATOM 1650 CG PRO A 103 10.296 7.897 -3.377 1.00 0.00 C ATOM 1651 CD PRO A 103 9.012 7.150 -3.145 1.00 0.00 C ATOM 0 HA PRO A 103 9.968 5.924 -6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 103 11.800 7.639 -4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.277 8.256 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.057 7.597 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.150 8.971 -3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.933 6.799 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.143 7.779 -3.335 1.00 0.00 H new ATOM 1659 N THR A 104 12.095 4.737 -5.624 1.00 0.00 N ATOM 1660 CA THR A 104 13.212 3.842 -5.386 1.00 0.00 C ATOM 1661 C THR A 104 14.344 4.591 -4.704 1.00 0.00 C ATOM 1662 O THR A 104 14.579 5.770 -4.977 1.00 0.00 O ATOM 1663 CB THR A 104 13.710 3.178 -6.685 1.00 0.00 C ATOM 1664 OG1 THR A 104 14.991 2.568 -6.486 1.00 0.00 O ATOM 1665 CG2 THR A 104 13.780 4.179 -7.829 1.00 0.00 C ATOM 0 H THR A 104 11.972 5.015 -6.598 1.00 0.00 H new ATOM 0 HA THR A 104 12.862 3.044 -4.731 1.00 0.00 H new ATOM 0 HB THR A 104 12.990 2.405 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.288 2.151 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.135 3.678 -8.730 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.788 4.593 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.467 4.984 -7.567 1.00 0.00 H new ATOM 1673 N SER A 105 15.037 3.903 -3.822 1.00 0.00 N ATOM 1674 CA SER A 105 16.025 4.544 -2.974 1.00 0.00 C ATOM 1675 C SER A 105 17.232 3.646 -2.766 1.00 0.00 C ATOM 1676 O SER A 105 17.105 2.521 -2.279 1.00 0.00 O ATOM 1677 CB SER A 105 15.394 4.905 -1.624 1.00 0.00 C ATOM 1678 OG SER A 105 16.295 5.635 -0.804 1.00 0.00 O ATOM 0 H SER A 105 14.936 2.899 -3.672 1.00 0.00 H new ATOM 0 HA SER A 105 16.365 5.454 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.492 5.495 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.089 3.994 -1.109 1.00 0.00 H new ATOM 0 HG SER A 105 15.861 5.850 0.048 1.00 0.00 H new ATOM 1684 N LYS A 106 18.393 4.142 -3.158 1.00 0.00 N ATOM 1685 CA LYS A 106 19.646 3.448 -2.922 1.00 0.00 C ATOM 1686 C LYS A 106 20.714 4.445 -2.496 1.00 0.00 C ATOM 1687 O LYS A 106 21.025 4.508 -1.293 1.00 0.00 O ATOM 1688 CB LYS A 106 20.092 2.688 -4.173 1.00 0.00 C ATOM 1689 CG LYS A 106 21.436 1.999 -4.010 1.00 0.00 C ATOM 1690 CD LYS A 106 21.814 1.200 -5.243 1.00 0.00 C ATOM 1691 CE LYS A 106 23.197 0.587 -5.092 1.00 0.00 C ATOM 1692 NZ LYS A 106 23.551 -0.278 -6.244 1.00 0.00 N ATOM 1693 OXT LYS A 106 21.208 5.198 -3.359 1.00 0.00 O ATOM 0 H LYS A 106 18.493 5.032 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 106 19.498 2.722 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 106 19.338 1.943 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 106 20.147 3.382 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 106 22.205 2.745 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 106 21.402 1.337 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 106 21.079 0.412 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 106 21.793 1.846 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 106 23.937 1.381 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 106 23.235 0.001 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 24.501 -0.676 -6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.860 -1.052 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 23.540 0.286 -7.118 1.00 0.00 H new TER 1707 LYS A 106