USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 24 TYR OH : rot 180:sc= -0.122 USER MOD Set 1.2: A 28 ASN : amide:sc= -5.62! C(o=-5.7!,f=-3.2!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -138:sc= -0.0969! (180deg=-2.03!) USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -7.38! C(o=-7.4!,f=-14!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.747 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.068 (180deg=-0.58) USER MOD Single : A 27 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 33 ASN : amide:sc= -0.746 K(o=-0.75,f=-3.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 39 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.3) USER MOD Single : A 43 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.44) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.0125 (180deg=0.00807) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.0703 (180deg=-0.517) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.95 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.5 K(o=-0.5,f=-2.9!) USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.0488 (180deg=-0.474) USER MOD Single : A 93 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-8.8!) USER MOD Single : A 94 HIS : no HD1:sc= -0.856 K(o=-0.86,f=-1.9) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0652 K(o=-0.065,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -7.820 14.189 -12.473 1.00 0.00 N ATOM 2 CA ALA A 12 -6.837 13.720 -11.454 1.00 0.00 C ATOM 3 C ALA A 12 -7.537 12.795 -10.460 1.00 0.00 C ATOM 4 O ALA A 12 -7.089 12.606 -9.347 1.00 0.00 O ATOM 5 CB ALA A 12 -6.246 14.931 -10.725 1.00 0.00 C ATOM 0 HA ALA A 12 -6.032 13.170 -11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.527 14.592 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.745 15.579 -11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.045 15.485 -10.233 1.00 0.00 H new ATOM 11 N PHE A 13 -8.628 12.211 -10.869 1.00 0.00 N ATOM 12 CA PHE A 13 -9.384 11.285 -9.977 1.00 0.00 C ATOM 13 C PHE A 13 -8.493 10.101 -9.594 1.00 0.00 C ATOM 14 O PHE A 13 -8.442 9.695 -8.451 1.00 0.00 O ATOM 15 CB PHE A 13 -10.618 10.766 -10.726 1.00 0.00 C ATOM 16 CG PHE A 13 -11.396 9.830 -9.831 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.092 10.338 -8.728 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.423 8.455 -10.102 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.815 9.475 -7.896 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.145 7.592 -9.270 1.00 0.00 C ATOM 21 CZ PHE A 13 -12.841 8.101 -8.168 1.00 0.00 C ATOM 0 H PHE A 13 -9.034 12.337 -11.796 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.691 11.815 -9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.248 11.601 -11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.313 10.247 -11.635 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.071 11.397 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.887 8.062 -10.953 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.352 9.868 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.165 6.533 -9.479 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.399 7.434 -7.527 1.00 0.00 H new ATOM 31 N PHE A 14 -7.802 9.547 -10.551 1.00 0.00 N ATOM 32 CA PHE A 14 -6.908 8.383 -10.281 1.00 0.00 C ATOM 33 C PHE A 14 -5.776 8.804 -9.344 1.00 0.00 C ATOM 34 O PHE A 14 -5.376 8.067 -8.465 1.00 0.00 O ATOM 35 CB PHE A 14 -6.303 7.891 -11.604 1.00 0.00 C ATOM 36 CG PHE A 14 -7.376 7.236 -12.442 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.748 5.910 -12.189 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.997 7.952 -13.472 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.741 5.301 -12.964 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.990 7.342 -14.249 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.363 6.017 -13.994 1.00 0.00 C ATOM 0 H PHE A 14 -7.818 9.855 -11.523 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.488 7.586 -9.816 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.864 8.727 -12.147 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.499 7.182 -11.406 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.268 5.357 -11.395 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.711 8.975 -13.668 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.028 4.278 -12.768 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.468 7.894 -15.045 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.130 5.547 -14.592 1.00 0.00 H new ATOM 51 N ASN A 15 -5.246 9.979 -9.547 1.00 0.00 N ATOM 52 CA ASN A 15 -4.122 10.469 -8.698 1.00 0.00 C ATOM 53 C ASN A 15 -4.582 10.594 -7.246 1.00 0.00 C ATOM 54 O ASN A 15 -3.858 10.269 -6.326 1.00 0.00 O ATOM 55 CB ASN A 15 -3.680 11.849 -9.205 1.00 0.00 C ATOM 56 CG ASN A 15 -2.593 12.413 -8.288 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.820 13.363 -7.567 1.00 0.00 O ATOM 58 ND2 ASN A 15 -1.410 11.863 -8.286 1.00 0.00 N ATOM 0 H ASN A 15 -5.547 10.628 -10.274 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.293 9.764 -8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.303 11.769 -10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.533 12.527 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.677 12.231 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.218 11.065 -8.891 1.00 0.00 H new ATOM 65 N GLU A 16 -5.776 11.076 -7.040 1.00 0.00 N ATOM 66 CA GLU A 16 -6.300 11.246 -5.652 1.00 0.00 C ATOM 67 C GLU A 16 -6.496 9.882 -4.990 1.00 0.00 C ATOM 68 O GLU A 16 -6.245 9.714 -3.814 1.00 0.00 O ATOM 69 CB GLU A 16 -7.650 11.976 -5.711 1.00 0.00 C ATOM 70 CG GLU A 16 -7.445 13.412 -6.205 1.00 0.00 C ATOM 71 CD GLU A 16 -6.636 14.203 -5.173 1.00 0.00 C ATOM 72 OE1 GLU A 16 -6.594 13.782 -4.029 1.00 0.00 O ATOM 73 OE2 GLU A 16 -6.068 15.216 -5.548 1.00 0.00 O ATOM 0 H GLU A 16 -6.418 11.362 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.584 11.825 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.331 11.447 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.112 11.984 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.924 13.406 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.410 13.891 -6.370 1.00 0.00 H new ATOM 80 N GLN A 17 -6.956 8.916 -5.733 1.00 0.00 N ATOM 81 CA GLN A 17 -7.189 7.560 -5.152 1.00 0.00 C ATOM 82 C GLN A 17 -5.855 6.960 -4.700 1.00 0.00 C ATOM 83 O GLN A 17 -5.769 6.323 -3.670 1.00 0.00 O ATOM 84 CB GLN A 17 -7.829 6.656 -6.233 1.00 0.00 C ATOM 85 CG GLN A 17 -9.339 6.556 -6.000 1.00 0.00 C ATOM 86 CD GLN A 17 -9.955 7.956 -6.008 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.304 8.919 -6.364 1.00 0.00 O ATOM 88 NE2 GLN A 17 -11.191 8.112 -5.624 1.00 0.00 N ATOM 0 H GLN A 17 -7.183 9.005 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.855 7.634 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.631 7.064 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.381 5.663 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.797 5.942 -6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.538 6.066 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.738 7.305 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.611 9.041 -5.622 1.00 0.00 H new ATOM 97 N LYS A 18 -4.827 7.149 -5.481 1.00 0.00 N ATOM 98 CA LYS A 18 -3.488 6.593 -5.133 1.00 0.00 C ATOM 99 C LYS A 18 -2.967 7.249 -3.855 1.00 0.00 C ATOM 100 O LYS A 18 -2.369 6.606 -3.015 1.00 0.00 O ATOM 101 CB LYS A 18 -2.512 6.879 -6.283 1.00 0.00 C ATOM 102 CG LYS A 18 -2.847 5.982 -7.479 1.00 0.00 C ATOM 103 CD LYS A 18 -1.946 6.343 -8.668 1.00 0.00 C ATOM 104 CE LYS A 18 -0.488 6.000 -8.344 1.00 0.00 C ATOM 105 NZ LYS A 18 0.288 5.889 -9.609 1.00 0.00 N ATOM 0 H LYS A 18 -4.858 7.672 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.574 5.518 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.575 7.928 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.488 6.699 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.708 4.935 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.895 6.104 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.267 5.799 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.037 7.405 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.055 6.770 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.438 5.062 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.278 5.656 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.121 5.139 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.250 6.794 -10.120 1.00 0.00 H new ATOM 119 N GLU A 19 -3.174 8.530 -3.719 1.00 0.00 N ATOM 120 CA GLU A 19 -2.679 9.262 -2.518 1.00 0.00 C ATOM 121 C GLU A 19 -3.406 8.767 -1.265 1.00 0.00 C ATOM 122 O GLU A 19 -2.809 8.603 -0.220 1.00 0.00 O ATOM 123 CB GLU A 19 -2.958 10.763 -2.701 1.00 0.00 C ATOM 124 CG GLU A 19 -2.319 11.553 -1.553 1.00 0.00 C ATOM 125 CD GLU A 19 -0.795 11.433 -1.633 1.00 0.00 C ATOM 126 OE1 GLU A 19 -0.300 11.130 -2.706 1.00 0.00 O ATOM 127 OE2 GLU A 19 -0.151 11.640 -0.618 1.00 0.00 O ATOM 0 H GLU A 19 -3.671 9.108 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.609 9.087 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.557 11.103 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.033 10.942 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.615 12.601 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.674 11.173 -0.595 1.00 0.00 H new ATOM 134 N LYS A 20 -4.688 8.542 -1.363 1.00 0.00 N ATOM 135 CA LYS A 20 -5.472 8.073 -0.181 1.00 0.00 C ATOM 136 C LYS A 20 -4.970 6.703 0.272 1.00 0.00 C ATOM 137 O LYS A 20 -4.799 6.453 1.449 1.00 0.00 O ATOM 138 CB LYS A 20 -6.953 7.952 -0.571 1.00 0.00 C ATOM 139 CG LYS A 20 -7.545 9.346 -0.785 1.00 0.00 C ATOM 140 CD LYS A 20 -9.015 9.219 -1.193 1.00 0.00 C ATOM 141 CE LYS A 20 -9.597 10.610 -1.457 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.496 11.432 -0.219 1.00 0.00 N ATOM 0 H LYS A 20 -5.232 8.664 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.352 8.790 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.052 7.361 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.503 7.429 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.460 9.933 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.987 9.875 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.103 8.601 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.580 8.721 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.058 11.093 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.638 10.527 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.375 11.972 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.347 10.809 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.695 12.090 -0.303 1.00 0.00 H new ATOM 156 N VAL A 21 -4.742 5.815 -0.657 1.00 0.00 N ATOM 157 CA VAL A 21 -4.261 4.446 -0.305 1.00 0.00 C ATOM 158 C VAL A 21 -2.841 4.520 0.261 1.00 0.00 C ATOM 159 O VAL A 21 -2.517 3.876 1.239 1.00 0.00 O ATOM 160 CB VAL A 21 -4.263 3.574 -1.566 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.649 2.210 -1.246 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.703 3.383 -2.049 1.00 0.00 C ATOM 0 H VAL A 21 -4.869 5.980 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.921 4.013 0.447 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.677 4.061 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.651 1.591 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.624 2.344 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.234 1.722 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.707 2.763 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.287 2.895 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.142 4.354 -2.277 1.00 0.00 H new ATOM 172 N THR A 22 -1.991 5.292 -0.362 1.00 0.00 N ATOM 173 CA THR A 22 -0.582 5.417 0.109 1.00 0.00 C ATOM 174 C THR A 22 -0.555 6.037 1.506 1.00 0.00 C ATOM 175 O THR A 22 0.177 5.608 2.374 1.00 0.00 O ATOM 176 CB THR A 22 0.197 6.315 -0.862 1.00 0.00 C ATOM 177 OG1 THR A 22 0.218 5.712 -2.148 1.00 0.00 O ATOM 178 CG2 THR A 22 1.632 6.498 -0.362 1.00 0.00 C ATOM 0 H THR A 22 -2.216 5.848 -1.187 1.00 0.00 H new ATOM 0 HA THR A 22 -0.124 4.428 0.147 1.00 0.00 H new ATOM 0 HB THR A 22 -0.290 7.289 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.625 5.899 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.180 7.136 -1.055 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.617 6.962 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.122 5.526 -0.299 1.00 0.00 H new ATOM 186 N LEU A 23 -1.339 7.059 1.713 1.00 0.00 N ATOM 187 CA LEU A 23 -1.369 7.743 3.037 1.00 0.00 C ATOM 188 C LEU A 23 -1.852 6.779 4.122 1.00 0.00 C ATOM 189 O LEU A 23 -1.312 6.738 5.209 1.00 0.00 O ATOM 190 CB LEU A 23 -2.334 8.937 2.961 1.00 0.00 C ATOM 191 CG LEU A 23 -2.045 9.913 4.119 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.923 10.881 3.721 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.310 10.710 4.454 1.00 0.00 C ATOM 0 H LEU A 23 -1.967 7.454 1.013 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.364 8.083 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.221 9.448 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.365 8.588 3.016 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.734 9.341 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.725 11.567 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.019 10.316 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.227 11.448 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.100 11.398 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.627 11.275 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.104 10.025 4.750 1.00 0.00 H new ATOM 205 N TYR A 24 -2.869 6.018 3.832 1.00 0.00 N ATOM 206 CA TYR A 24 -3.407 5.054 4.836 1.00 0.00 C ATOM 207 C TYR A 24 -2.336 4.021 5.188 1.00 0.00 C ATOM 208 O TYR A 24 -2.103 3.721 6.341 1.00 0.00 O ATOM 209 CB TYR A 24 -4.632 4.339 4.241 1.00 0.00 C ATOM 210 CG TYR A 24 -5.037 3.188 5.135 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.717 3.434 6.332 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.720 1.872 4.769 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.081 2.366 7.162 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.082 0.806 5.598 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.764 1.053 6.795 1.00 0.00 C ATOM 216 OH TYR A 24 -6.123 0.003 7.614 1.00 0.00 O ATOM 0 H TYR A 24 -3.356 6.021 2.936 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.695 5.592 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.460 5.041 4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.400 3.971 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.961 4.447 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.195 1.681 3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.607 2.556 8.086 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.836 -0.207 5.315 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.829 -0.841 7.212 1.00 0.00 H new ATOM 226 N LEU A 25 -1.706 3.460 4.196 1.00 0.00 N ATOM 227 CA LEU A 25 -0.665 2.426 4.447 1.00 0.00 C ATOM 228 C LEU A 25 0.510 3.044 5.195 1.00 0.00 C ATOM 229 O LEU A 25 1.067 2.447 6.090 1.00 0.00 O ATOM 230 CB LEU A 25 -0.168 1.874 3.102 1.00 0.00 C ATOM 231 CG LEU A 25 -1.290 1.075 2.421 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.863 0.700 0.998 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.591 -0.206 3.226 1.00 0.00 C ATOM 0 H LEU A 25 -1.869 3.675 3.212 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.093 1.623 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.150 2.693 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.702 1.236 3.259 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.190 1.689 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.660 0.133 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.666 1.607 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.041 0.093 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.388 -0.765 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.694 -0.822 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.905 0.063 4.234 1.00 0.00 H new ATOM 245 N LYS A 26 0.897 4.227 4.816 1.00 0.00 N ATOM 246 CA LYS A 26 2.058 4.892 5.472 1.00 0.00 C ATOM 247 C LYS A 26 1.789 5.054 6.966 1.00 0.00 C ATOM 248 O LYS A 26 2.649 4.814 7.789 1.00 0.00 O ATOM 249 CB LYS A 26 2.259 6.279 4.847 1.00 0.00 C ATOM 250 CG LYS A 26 3.525 6.922 5.422 1.00 0.00 C ATOM 251 CD LYS A 26 3.757 8.283 4.760 1.00 0.00 C ATOM 252 CE LYS A 26 5.030 8.919 5.323 1.00 0.00 C ATOM 253 NZ LYS A 26 6.205 8.065 4.982 1.00 0.00 N ATOM 0 H LYS A 26 0.456 4.768 4.073 1.00 0.00 H new ATOM 0 HA LYS A 26 2.950 4.282 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.343 6.192 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.394 6.910 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.425 7.043 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.384 6.273 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.846 8.163 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.903 8.936 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.162 9.920 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.947 9.028 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.076 8.629 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.257 7.265 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.102 7.704 4.012 1.00 0.00 H new ATOM 267 N HIS A 27 0.607 5.472 7.313 1.00 0.00 N ATOM 268 CA HIS A 27 0.261 5.674 8.749 1.00 0.00 C ATOM 269 C HIS A 27 0.193 4.328 9.471 1.00 0.00 C ATOM 270 O HIS A 27 0.576 4.213 10.617 1.00 0.00 O ATOM 271 CB HIS A 27 -1.102 6.372 8.846 1.00 0.00 C ATOM 272 CG HIS A 27 -0.965 7.797 8.388 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.002 8.649 8.907 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.660 8.537 7.463 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.143 9.840 8.297 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.140 9.827 7.408 1.00 0.00 N ATOM 0 H HIS A 27 -0.144 5.685 6.657 1.00 0.00 H new ATOM 0 HA HIS A 27 1.029 6.289 9.218 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.835 5.850 8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.467 6.342 9.873 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.485 8.173 6.868 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.475 10.702 8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.453 10.597 6.816 1.00 0.00 H new ATOM 284 N ASN A 28 -0.313 3.318 8.819 1.00 0.00 N ATOM 285 CA ASN A 28 -0.431 1.977 9.470 1.00 0.00 C ATOM 286 C ASN A 28 0.833 1.169 9.194 1.00 0.00 C ATOM 287 O ASN A 28 0.975 0.050 9.639 1.00 0.00 O ATOM 288 CB ASN A 28 -1.642 1.237 8.894 1.00 0.00 C ATOM 289 CG ASN A 28 -2.923 1.995 9.247 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.953 1.785 8.638 1.00 0.00 O ATOM 291 ND2 ASN A 28 -2.902 2.876 10.208 1.00 0.00 N ATOM 0 H ASN A 28 -0.652 3.361 7.858 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.558 2.103 10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.546 1.149 7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.685 0.224 9.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.750 3.389 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.037 3.052 10.719 1.00 0.00 H new ATOM 298 N ILE A 29 1.756 1.735 8.465 1.00 0.00 N ATOM 299 CA ILE A 29 3.031 1.020 8.155 1.00 0.00 C ATOM 300 C ILE A 29 4.184 2.035 8.141 1.00 0.00 C ATOM 301 O ILE A 29 4.578 2.527 7.102 1.00 0.00 O ATOM 302 CB ILE A 29 2.926 0.338 6.789 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.631 -0.482 6.727 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.127 -0.589 6.600 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.572 -1.257 5.409 1.00 0.00 C ATOM 0 H ILE A 29 1.682 2.671 8.066 1.00 0.00 H new ATOM 0 HA ILE A 29 3.218 0.261 8.915 1.00 0.00 H new ATOM 0 HB ILE A 29 2.915 1.090 6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.587 -1.173 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.767 0.178 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.059 -1.079 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.047 -0.007 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.132 -1.343 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.651 -1.838 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.596 -0.557 4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.428 -1.929 5.343 1.00 0.00 H new ATOM 317 N PRO A 30 4.724 2.346 9.292 1.00 0.00 N ATOM 318 CA PRO A 30 5.862 3.309 9.416 1.00 0.00 C ATOM 319 C PRO A 30 7.040 2.894 8.531 1.00 0.00 C ATOM 320 O PRO A 30 7.839 3.706 8.113 1.00 0.00 O ATOM 321 CB PRO A 30 6.253 3.232 10.904 1.00 0.00 C ATOM 322 CG PRO A 30 5.036 2.715 11.606 1.00 0.00 C ATOM 323 CD PRO A 30 4.308 1.819 10.602 1.00 0.00 C ATOM 0 HA PRO A 30 5.588 4.315 9.098 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.105 2.568 11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.541 4.211 11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.311 2.154 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.396 3.536 11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.592 0.773 10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.227 1.872 10.729 1.00 0.00 H new ATOM 331 N ASP A 31 7.148 1.622 8.259 1.00 0.00 N ATOM 332 CA ASP A 31 8.265 1.112 7.415 1.00 0.00 C ATOM 333 C ASP A 31 7.950 1.392 5.943 1.00 0.00 C ATOM 334 O ASP A 31 8.711 1.053 5.061 1.00 0.00 O ATOM 335 CB ASP A 31 8.409 -0.403 7.628 1.00 0.00 C ATOM 336 CG ASP A 31 8.964 -0.680 9.028 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.484 0.244 9.632 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.858 -1.811 9.473 1.00 0.00 O ATOM 0 H ASP A 31 6.501 0.906 8.590 1.00 0.00 H new ATOM 0 HA ASP A 31 9.195 1.609 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.441 -0.890 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.074 -0.824 6.874 1.00 0.00 H new ATOM 343 N PHE A 32 6.824 2.003 5.681 1.00 0.00 N ATOM 344 CA PHE A 32 6.429 2.305 4.274 1.00 0.00 C ATOM 345 C PHE A 32 7.482 3.181 3.611 1.00 0.00 C ATOM 346 O PHE A 32 7.879 4.205 4.129 1.00 0.00 O ATOM 347 CB PHE A 32 5.084 3.039 4.265 1.00 0.00 C ATOM 348 CG PHE A 32 4.648 3.276 2.839 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.189 4.342 2.109 1.00 0.00 C ATOM 350 CD2 PHE A 32 3.707 2.427 2.244 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.787 4.559 0.787 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.305 2.645 0.922 1.00 0.00 C ATOM 353 CZ PHE A 32 3.846 3.712 0.194 1.00 0.00 C ATOM 0 H PHE A 32 6.156 2.308 6.388 1.00 0.00 H new ATOM 0 HA PHE A 32 6.342 1.368 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.333 2.451 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.173 3.989 4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.916 4.996 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.291 1.604 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.204 5.381 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.578 1.991 0.463 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.536 3.881 -0.827 1.00 0.00 H new ATOM 363 N ASN A 33 7.925 2.776 2.455 1.00 0.00 N ATOM 364 CA ASN A 33 8.957 3.551 1.702 1.00 0.00 C ATOM 365 C ASN A 33 8.413 3.881 0.313 1.00 0.00 C ATOM 366 O ASN A 33 8.324 5.027 -0.073 1.00 0.00 O ATOM 367 CB ASN A 33 10.217 2.698 1.558 1.00 0.00 C ATOM 368 CG ASN A 33 11.318 3.523 0.891 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.059 4.584 0.357 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.543 3.076 0.894 1.00 0.00 N ATOM 0 H ASN A 33 7.611 1.925 1.989 1.00 0.00 H new ATOM 0 HA ASN A 33 9.195 4.471 2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.549 2.353 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.002 1.810 0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.284 3.617 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.760 2.186 1.342 1.00 0.00 H new ATOM 377 N THR A 34 8.050 2.874 -0.440 1.00 0.00 N ATOM 378 CA THR A 34 7.513 3.109 -1.814 1.00 0.00 C ATOM 379 C THR A 34 6.478 2.044 -2.163 1.00 0.00 C ATOM 380 O THR A 34 6.480 0.954 -1.631 1.00 0.00 O ATOM 381 CB THR A 34 8.659 3.053 -2.829 1.00 0.00 C ATOM 382 OG1 THR A 34 8.122 3.108 -4.143 1.00 0.00 O ATOM 383 CG2 THR A 34 9.456 1.756 -2.657 1.00 0.00 C ATOM 0 H THR A 34 8.103 1.894 -0.160 1.00 0.00 H new ATOM 0 HA THR A 34 7.041 4.091 -1.845 1.00 0.00 H new ATOM 0 HB THR A 34 9.325 3.900 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.852 3.074 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.267 1.728 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.870 1.714 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.798 0.901 -2.815 1.00 0.00 H new ATOM 391 N VAL A 35 5.593 2.369 -3.065 1.00 0.00 N ATOM 392 CA VAL A 35 4.533 1.407 -3.489 1.00 0.00 C ATOM 393 C VAL A 35 4.324 1.515 -4.994 1.00 0.00 C ATOM 394 O VAL A 35 4.350 2.589 -5.562 1.00 0.00 O ATOM 395 CB VAL A 35 3.226 1.725 -2.758 1.00 0.00 C ATOM 396 CG1 VAL A 35 2.698 3.104 -3.175 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.187 0.656 -3.096 1.00 0.00 C ATOM 0 H VAL A 35 5.558 3.274 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 35 4.842 0.392 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 35 3.414 1.734 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.769 3.313 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.436 3.867 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.514 3.113 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.254 0.878 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.011 0.647 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.554 -0.321 -2.780 1.00 0.00 H new ATOM 407 N THR A 36 4.127 0.398 -5.644 1.00 0.00 N ATOM 408 CA THR A 36 3.920 0.396 -7.126 1.00 0.00 C ATOM 409 C THR A 36 2.663 -0.390 -7.479 1.00 0.00 C ATOM 410 O THR A 36 2.497 -1.540 -7.109 1.00 0.00 O ATOM 411 CB THR A 36 5.136 -0.236 -7.805 1.00 0.00 C ATOM 412 OG1 THR A 36 6.283 0.563 -7.542 1.00 0.00 O ATOM 413 CG2 THR A 36 4.896 -0.312 -9.312 1.00 0.00 C ATOM 0 H THR A 36 4.100 -0.524 -5.208 1.00 0.00 H new ATOM 0 HA THR A 36 3.800 1.422 -7.474 1.00 0.00 H new ATOM 0 HB THR A 36 5.294 -1.242 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.067 0.162 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.763 -0.762 -9.796 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.013 -0.920 -9.510 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.741 0.692 -9.707 1.00 0.00 H new ATOM 421 N PHE A 37 1.781 0.239 -8.208 1.00 0.00 N ATOM 422 CA PHE A 37 0.515 -0.423 -8.631 1.00 0.00 C ATOM 423 C PHE A 37 0.711 -1.042 -10.012 1.00 0.00 C ATOM 424 O PHE A 37 1.252 -0.430 -10.912 1.00 0.00 O ATOM 425 CB PHE A 37 -0.612 0.615 -8.684 1.00 0.00 C ATOM 426 CG PHE A 37 -0.732 1.296 -7.340 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.505 0.716 -6.326 1.00 0.00 C ATOM 428 CD2 PHE A 37 -0.070 2.508 -7.107 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.617 1.350 -5.081 1.00 0.00 C ATOM 430 CE2 PHE A 37 -0.181 3.140 -5.861 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.953 2.560 -4.849 1.00 0.00 C ATOM 0 H PHE A 37 1.887 1.200 -8.533 1.00 0.00 H new ATOM 0 HA PHE A 37 0.250 -1.203 -7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.406 1.352 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.554 0.132 -8.945 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.015 -0.220 -6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.526 2.956 -7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.216 0.905 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.330 4.075 -5.682 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.037 3.046 -3.888 1.00 0.00 H new ATOM 441 N THR A 38 0.268 -2.254 -10.180 1.00 0.00 N ATOM 442 CA THR A 38 0.414 -2.934 -11.497 1.00 0.00 C ATOM 443 C THR A 38 -0.342 -4.265 -11.470 1.00 0.00 C ATOM 444 O THR A 38 0.207 -5.312 -11.754 1.00 0.00 O ATOM 445 CB THR A 38 1.897 -3.172 -11.787 1.00 0.00 C ATOM 446 OG1 THR A 38 2.027 -4.102 -12.852 1.00 0.00 O ATOM 447 CG2 THR A 38 2.597 -3.717 -10.540 1.00 0.00 C ATOM 0 H THR A 38 -0.192 -2.808 -9.458 1.00 0.00 H new ATOM 0 HA THR A 38 -0.003 -2.306 -12.284 1.00 0.00 H new ATOM 0 HB THR A 38 2.362 -2.227 -12.068 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.714 -4.983 -12.557 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.652 -3.883 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.503 -2.998 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.135 -4.659 -10.246 1.00 0.00 H new ATOM 455 N ASN A 39 -1.608 -4.222 -11.147 1.00 0.00 N ATOM 456 CA ASN A 39 -2.426 -5.472 -11.113 1.00 0.00 C ATOM 457 C ASN A 39 -3.900 -5.139 -10.872 1.00 0.00 C ATOM 458 O ASN A 39 -4.243 -4.361 -10.005 1.00 0.00 O ATOM 459 CB ASN A 39 -1.919 -6.389 -10.002 1.00 0.00 C ATOM 460 CG ASN A 39 -2.822 -7.620 -9.892 1.00 0.00 C ATOM 461 OD1 ASN A 39 -3.579 -7.750 -8.952 1.00 0.00 O ATOM 462 ND2 ASN A 39 -2.773 -8.538 -10.819 1.00 0.00 N ATOM 0 H ASN A 39 -2.114 -3.370 -10.904 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.333 -5.978 -12.074 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.894 -6.696 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.904 -5.852 -9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.370 -9.362 -10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.138 -8.431 -11.610 1.00 0.00 H new ATOM 469 N GLU A 40 -4.760 -5.744 -11.646 1.00 0.00 N ATOM 470 CA GLU A 40 -6.229 -5.522 -11.516 1.00 0.00 C ATOM 471 C GLU A 40 -6.568 -4.049 -11.695 1.00 0.00 C ATOM 472 O GLU A 40 -5.867 -3.173 -11.237 1.00 0.00 O ATOM 473 CB GLU A 40 -6.709 -6.004 -10.145 1.00 0.00 C ATOM 474 CG GLU A 40 -6.586 -7.528 -10.073 1.00 0.00 C ATOM 475 CD GLU A 40 -6.977 -8.008 -8.674 1.00 0.00 C ATOM 476 OE1 GLU A 40 -7.349 -7.176 -7.864 1.00 0.00 O ATOM 477 OE2 GLU A 40 -6.897 -9.203 -8.436 1.00 0.00 O ATOM 0 H GLU A 40 -4.498 -6.400 -12.382 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.735 -6.091 -12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.115 -5.542 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.744 -5.703 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.230 -7.991 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.564 -7.832 -10.301 1.00 0.00 H new ATOM 484 N GLU A 41 -7.653 -3.777 -12.365 1.00 0.00 N ATOM 485 CA GLU A 41 -8.079 -2.366 -12.596 1.00 0.00 C ATOM 486 C GLU A 41 -9.603 -2.282 -12.560 1.00 0.00 C ATOM 487 O GLU A 41 -10.197 -2.065 -11.528 1.00 0.00 O ATOM 488 CB GLU A 41 -7.589 -1.892 -13.968 1.00 0.00 C ATOM 489 CG GLU A 41 -6.066 -1.750 -13.944 1.00 0.00 C ATOM 490 CD GLU A 41 -5.559 -1.306 -15.320 1.00 0.00 C ATOM 491 OE1 GLU A 41 -6.376 -1.135 -16.210 1.00 0.00 O ATOM 492 OE2 GLU A 41 -4.357 -1.147 -15.459 1.00 0.00 O ATOM 0 H GLU A 41 -8.271 -4.481 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.652 -1.734 -11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.887 -2.604 -14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.050 -0.937 -14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.772 -1.023 -13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.608 -2.700 -13.668 1.00 0.00 H new ATOM 499 N PHE A 42 -10.231 -2.441 -13.689 1.00 0.00 N ATOM 500 CA PHE A 42 -11.717 -2.355 -13.753 1.00 0.00 C ATOM 501 C PHE A 42 -12.344 -3.619 -13.175 1.00 0.00 C ATOM 502 O PHE A 42 -11.807 -4.705 -13.275 1.00 0.00 O ATOM 503 CB PHE A 42 -12.167 -2.176 -15.214 1.00 0.00 C ATOM 504 CG PHE A 42 -11.852 -0.771 -15.686 1.00 0.00 C ATOM 505 CD1 PHE A 42 -12.726 0.285 -15.386 1.00 0.00 C ATOM 506 CD2 PHE A 42 -10.690 -0.523 -16.430 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.436 1.583 -15.828 1.00 0.00 C ATOM 508 CE2 PHE A 42 -10.402 0.775 -16.871 1.00 0.00 C ATOM 509 CZ PHE A 42 -11.274 1.827 -16.571 1.00 0.00 C ATOM 0 H PHE A 42 -9.774 -2.629 -14.581 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.044 -1.497 -13.166 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.663 -2.904 -15.850 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.237 -2.366 -15.299 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.623 0.097 -14.814 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.016 -1.334 -16.663 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.109 2.395 -15.596 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.506 0.964 -17.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.051 2.827 -16.912 1.00 0.00 H new ATOM 519 N ASN A 43 -13.487 -3.469 -12.568 1.00 0.00 N ATOM 520 CA ASN A 43 -14.191 -4.631 -11.969 1.00 0.00 C ATOM 521 C ASN A 43 -15.571 -4.190 -11.459 1.00 0.00 C ATOM 522 O ASN A 43 -15.863 -3.013 -11.370 1.00 0.00 O ATOM 523 CB ASN A 43 -13.346 -5.192 -10.799 1.00 0.00 C ATOM 524 CG ASN A 43 -12.898 -6.619 -11.117 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.550 -6.918 -12.239 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.914 -7.520 -10.178 1.00 0.00 N ATOM 0 H ASN A 43 -13.969 -2.576 -12.461 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.324 -5.409 -12.721 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.476 -4.558 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.931 -5.182 -9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.634 -8.478 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.207 -7.268 -9.234 1.00 0.00 H new ATOM 533 N PRO A 44 -16.413 -5.138 -11.121 1.00 0.00 N ATOM 534 CA PRO A 44 -17.784 -4.846 -10.612 1.00 0.00 C ATOM 535 C PRO A 44 -17.761 -3.832 -9.464 1.00 0.00 C ATOM 536 O PRO A 44 -18.604 -2.965 -9.370 1.00 0.00 O ATOM 537 CB PRO A 44 -18.294 -6.210 -10.110 1.00 0.00 C ATOM 538 CG PRO A 44 -17.497 -7.234 -10.857 1.00 0.00 C ATOM 539 CD PRO A 44 -16.149 -6.590 -11.182 1.00 0.00 C ATOM 0 HA PRO A 44 -18.417 -4.406 -11.382 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.152 -6.310 -9.034 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.361 -6.325 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.361 -8.133 -10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.012 -7.535 -11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.384 -6.886 -10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.793 -6.888 -12.168 1.00 0.00 H new ATOM 547 N ILE A 45 -16.792 -3.947 -8.596 1.00 0.00 N ATOM 548 CA ILE A 45 -16.684 -3.011 -7.442 1.00 0.00 C ATOM 549 C ILE A 45 -16.130 -1.674 -7.930 1.00 0.00 C ATOM 550 O ILE A 45 -15.490 -0.947 -7.198 1.00 0.00 O ATOM 551 CB ILE A 45 -15.761 -3.614 -6.374 1.00 0.00 C ATOM 552 CG1 ILE A 45 -14.397 -3.956 -6.989 1.00 0.00 C ATOM 553 CG2 ILE A 45 -16.399 -4.887 -5.812 1.00 0.00 C ATOM 554 CD1 ILE A 45 -13.430 -4.381 -5.882 1.00 0.00 C ATOM 0 H ILE A 45 -16.062 -4.659 -8.639 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.668 -2.850 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.619 -2.888 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -14.506 -4.758 -7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -14.000 -3.092 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.745 -5.317 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -17.363 -4.644 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -16.544 -5.607 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.461 -4.624 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.312 -3.565 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.827 -5.257 -5.369 1.00 0.00 H new ATOM 566 N GLY A 46 -16.385 -1.352 -9.168 1.00 0.00 N ATOM 567 CA GLY A 46 -15.900 -0.063 -9.740 1.00 0.00 C ATOM 568 C GLY A 46 -14.449 -0.199 -10.172 1.00 0.00 C ATOM 569 O GLY A 46 -14.152 -0.704 -11.235 1.00 0.00 O ATOM 0 H GLY A 46 -16.915 -1.934 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.517 0.221 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.995 0.731 -9.000 1.00 0.00 H new ATOM 573 N ILE A 47 -13.544 0.265 -9.352 1.00 0.00 N ATOM 574 CA ILE A 47 -12.089 0.192 -9.691 1.00 0.00 C ATOM 575 C ILE A 47 -11.352 -0.628 -8.642 1.00 0.00 C ATOM 576 O ILE A 47 -11.662 -0.595 -7.469 1.00 0.00 O ATOM 577 CB ILE A 47 -11.510 1.609 -9.750 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.709 2.326 -8.406 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.214 2.394 -10.859 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.020 3.694 -8.450 1.00 0.00 C ATOM 0 H ILE A 47 -13.751 0.697 -8.451 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.967 -0.289 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.442 1.549 -9.958 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.773 2.449 -8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.296 1.725 -7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.806 3.404 -10.906 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.056 1.894 -11.815 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.282 2.444 -10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.161 4.203 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.954 3.559 -8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.454 4.294 -9.250 1.00 0.00 H new ATOM 592 N SER A 48 -10.372 -1.371 -9.076 1.00 0.00 N ATOM 593 CA SER A 48 -9.574 -2.228 -8.149 1.00 0.00 C ATOM 594 C SER A 48 -8.111 -1.809 -8.189 1.00 0.00 C ATOM 595 O SER A 48 -7.472 -1.820 -9.222 1.00 0.00 O ATOM 596 CB SER A 48 -9.700 -3.690 -8.575 1.00 0.00 C ATOM 597 OG SER A 48 -11.063 -4.085 -8.483 1.00 0.00 O ATOM 0 H SER A 48 -10.084 -1.422 -10.053 1.00 0.00 H new ATOM 0 HA SER A 48 -9.952 -2.110 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.340 -3.817 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.081 -4.322 -7.938 1.00 0.00 H new ATOM 0 HG SER A 48 -11.151 -5.022 -8.757 1.00 0.00 H new ATOM 603 N ILE A 49 -7.579 -1.454 -7.052 1.00 0.00 N ATOM 604 CA ILE A 49 -6.148 -1.032 -6.966 1.00 0.00 C ATOM 605 C ILE A 49 -5.349 -2.099 -6.222 1.00 0.00 C ATOM 606 O ILE A 49 -5.674 -2.493 -5.119 1.00 0.00 O ATOM 607 CB ILE A 49 -6.055 0.302 -6.220 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.815 1.373 -7.010 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.585 0.704 -6.097 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.954 2.641 -6.164 1.00 0.00 C ATOM 0 H ILE A 49 -8.081 -1.438 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.739 -0.911 -7.969 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.491 0.204 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.286 1.599 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.801 1.001 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.511 1.653 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.043 -0.064 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.152 0.809 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.495 3.399 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.502 2.411 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.964 3.018 -5.908 1.00 0.00 H new ATOM 622 N ASP A 50 -4.298 -2.567 -6.838 1.00 0.00 N ATOM 623 CA ASP A 50 -3.438 -3.616 -6.216 1.00 0.00 C ATOM 624 C ASP A 50 -1.972 -3.355 -6.559 1.00 0.00 C ATOM 625 O ASP A 50 -1.623 -2.983 -7.669 1.00 0.00 O ATOM 626 CB ASP A 50 -3.849 -4.992 -6.745 1.00 0.00 C ATOM 627 CG ASP A 50 -3.005 -6.078 -6.073 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.088 -5.731 -5.348 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.289 -7.243 -6.298 1.00 0.00 O ATOM 0 H ASP A 50 -3.993 -2.262 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.564 -3.588 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.907 -5.167 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.715 -5.031 -7.826 1.00 0.00 H new ATOM 634 N GLY A 51 -1.109 -3.555 -5.601 1.00 0.00 N ATOM 635 CA GLY A 51 0.347 -3.327 -5.837 1.00 0.00 C ATOM 636 C GLY A 51 1.163 -3.922 -4.693 1.00 0.00 C ATOM 637 O GLY A 51 0.693 -4.747 -3.935 1.00 0.00 O ATOM 0 H GLY A 51 -1.350 -3.868 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.646 -3.781 -6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.547 -2.259 -5.920 1.00 0.00 H new ATOM 641 N TYR A 52 2.397 -3.503 -4.580 1.00 0.00 N ATOM 642 CA TYR A 52 3.293 -4.029 -3.501 1.00 0.00 C ATOM 643 C TYR A 52 4.153 -2.911 -2.925 1.00 0.00 C ATOM 644 O TYR A 52 4.310 -1.862 -3.516 1.00 0.00 O ATOM 645 CB TYR A 52 4.198 -5.125 -4.070 1.00 0.00 C ATOM 646 CG TYR A 52 4.873 -4.637 -5.332 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.986 -3.788 -5.253 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.391 -5.039 -6.584 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.612 -3.344 -6.425 1.00 0.00 C ATOM 650 CE2 TYR A 52 5.019 -4.595 -7.756 1.00 0.00 C ATOM 651 CZ TYR A 52 6.129 -3.746 -7.675 1.00 0.00 C ATOM 652 OH TYR A 52 6.747 -3.308 -8.829 1.00 0.00 O ATOM 0 H TYR A 52 2.828 -2.812 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 52 2.672 -4.440 -2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.949 -5.407 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.611 -6.018 -4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.361 -3.476 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.534 -5.693 -6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.469 -2.690 -6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.647 -4.908 -8.720 1.00 0.00 H new ATOM 0 HH TYR A 52 6.286 -3.682 -9.609 1.00 0.00 H new ATOM 662 N ILE A 53 4.697 -3.140 -1.754 1.00 0.00 N ATOM 663 CA ILE A 53 5.549 -2.105 -1.081 1.00 0.00 C ATOM 664 C ILE A 53 6.970 -2.628 -0.872 1.00 0.00 C ATOM 665 O ILE A 53 7.217 -3.816 -0.823 1.00 0.00 O ATOM 666 CB ILE A 53 4.938 -1.756 0.285 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.836 -3.015 1.161 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.542 -1.159 0.091 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.337 -2.631 2.557 1.00 0.00 C ATOM 0 H ILE A 53 4.587 -4.008 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 53 5.589 -1.220 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 53 5.582 -1.029 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.154 -3.733 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.809 -3.500 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.113 -0.913 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.614 -0.255 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.904 -1.883 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.265 -3.525 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.035 -1.929 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.355 -2.165 2.477 1.00 0.00 H new ATOM 681 N ASN A 54 7.896 -1.718 -0.750 1.00 0.00 N ATOM 682 CA ASN A 54 9.328 -2.077 -0.534 1.00 0.00 C ATOM 683 C ASN A 54 9.814 -2.996 -1.658 1.00 0.00 C ATOM 684 O ASN A 54 10.641 -3.862 -1.454 1.00 0.00 O ATOM 685 CB ASN A 54 9.493 -2.760 0.825 1.00 0.00 C ATOM 686 CG ASN A 54 9.306 -1.729 1.945 1.00 0.00 C ATOM 687 OD1 ASN A 54 10.150 -0.879 2.153 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.228 -1.768 2.679 1.00 0.00 N ATOM 0 H ASN A 54 7.716 -0.715 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 54 9.930 -1.169 -0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.764 -3.563 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.481 -3.215 0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.095 -1.086 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.519 -2.480 2.506 1.00 0.00 H new ATOM 695 N ASN A 55 9.305 -2.792 -2.844 1.00 0.00 N ATOM 696 CA ASN A 55 9.718 -3.617 -4.019 1.00 0.00 C ATOM 697 C ASN A 55 9.684 -5.096 -3.655 1.00 0.00 C ATOM 698 O ASN A 55 10.460 -5.884 -4.155 1.00 0.00 O ATOM 699 CB ASN A 55 11.125 -3.214 -4.472 1.00 0.00 C ATOM 700 CG ASN A 55 11.172 -1.704 -4.726 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.224 -1.129 -5.225 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.244 -1.035 -4.407 1.00 0.00 N ATOM 0 H ASN A 55 8.609 -2.076 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 55 9.022 -3.442 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.855 -3.487 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.394 -3.754 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.287 -0.030 -4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.040 -1.516 -3.988 1.00 0.00 H new ATOM 709 N ASP A 56 8.777 -5.479 -2.796 1.00 0.00 N ATOM 710 CA ASP A 56 8.662 -6.918 -2.383 1.00 0.00 C ATOM 711 C ASP A 56 7.356 -7.497 -2.926 1.00 0.00 C ATOM 712 O ASP A 56 6.276 -7.165 -2.480 1.00 0.00 O ATOM 713 CB ASP A 56 8.681 -7.009 -0.857 1.00 0.00 C ATOM 714 CG ASP A 56 8.880 -8.465 -0.436 1.00 0.00 C ATOM 715 OD1 ASP A 56 8.568 -9.338 -1.229 1.00 0.00 O ATOM 716 OD2 ASP A 56 9.339 -8.685 0.672 1.00 0.00 O ATOM 0 H ASP A 56 8.102 -4.854 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 56 9.500 -7.487 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.483 -6.390 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.747 -6.625 -0.447 1.00 0.00 H new ATOM 721 N LYS A 57 7.465 -8.367 -3.887 1.00 0.00 N ATOM 722 CA LYS A 57 6.260 -8.990 -4.506 1.00 0.00 C ATOM 723 C LYS A 57 5.426 -9.690 -3.435 1.00 0.00 C ATOM 724 O LYS A 57 4.215 -9.720 -3.509 1.00 0.00 O ATOM 725 CB LYS A 57 6.718 -10.026 -5.544 1.00 0.00 C ATOM 726 CG LYS A 57 7.506 -9.336 -6.668 1.00 0.00 C ATOM 727 CD LYS A 57 6.537 -8.685 -7.663 1.00 0.00 C ATOM 728 CE LYS A 57 7.323 -8.056 -8.809 1.00 0.00 C ATOM 729 NZ LYS A 57 6.373 -7.419 -9.764 1.00 0.00 N ATOM 0 H LYS A 57 8.353 -8.680 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 57 5.655 -8.218 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.340 -10.782 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.853 -10.542 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.170 -8.581 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.135 -10.063 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.844 -9.431 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.939 -7.925 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.021 -7.314 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.916 -8.815 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.892 -7.093 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.651 -8.111 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.912 -6.607 -9.306 1.00 0.00 H new ATOM 743 N ASN A 58 6.063 -10.253 -2.450 1.00 0.00 N ATOM 744 CA ASN A 58 5.315 -10.963 -1.370 1.00 0.00 C ATOM 745 C ASN A 58 4.413 -9.973 -0.629 1.00 0.00 C ATOM 746 O ASN A 58 3.302 -10.295 -0.260 1.00 0.00 O ATOM 747 CB ASN A 58 6.314 -11.567 -0.375 1.00 0.00 C ATOM 748 CG ASN A 58 7.051 -12.733 -1.034 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.432 -13.644 -1.545 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.355 -12.741 -1.047 1.00 0.00 N ATOM 0 H ASN A 58 7.077 -10.254 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 58 4.706 -11.751 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.027 -10.808 -0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.791 -11.911 0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.856 -13.513 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.874 -11.975 -0.617 1.00 0.00 H new ATOM 757 N LEU A 59 4.889 -8.778 -0.400 1.00 0.00 N ATOM 758 CA LEU A 59 4.069 -7.765 0.335 1.00 0.00 C ATOM 759 C LEU A 59 3.110 -7.085 -0.633 1.00 0.00 C ATOM 760 O LEU A 59 3.323 -5.961 -1.052 1.00 0.00 O ATOM 761 CB LEU A 59 4.995 -6.720 0.968 1.00 0.00 C ATOM 762 CG LEU A 59 6.041 -7.419 1.847 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.963 -6.367 2.474 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.339 -8.215 2.959 1.00 0.00 C ATOM 0 H LEU A 59 5.813 -8.457 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 59 3.496 -8.260 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.490 -6.140 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.413 -6.019 1.567 1.00 0.00 H new ATOM 0 HG LEU A 59 6.629 -8.102 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.707 -6.861 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.466 -5.807 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.373 -5.683 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.086 -8.709 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.747 -7.537 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.685 -8.964 2.513 1.00 0.00 H new ATOM 776 N SER A 60 2.049 -7.768 -0.983 1.00 0.00 N ATOM 777 CA SER A 60 1.040 -7.201 -1.930 1.00 0.00 C ATOM 778 C SER A 60 -0.282 -6.944 -1.211 1.00 0.00 C ATOM 779 O SER A 60 -0.586 -7.540 -0.197 1.00 0.00 O ATOM 780 CB SER A 60 0.805 -8.184 -3.078 1.00 0.00 C ATOM 781 OG SER A 60 0.279 -9.401 -2.563 1.00 0.00 O ATOM 0 H SER A 60 1.836 -8.708 -0.648 1.00 0.00 H new ATOM 0 HA SER A 60 1.421 -6.258 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.113 -7.754 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.740 -8.374 -3.605 1.00 0.00 H new ATOM 0 HG SER A 60 0.127 -10.029 -3.300 1.00 0.00 H new ATOM 787 N PHE A 61 -1.067 -6.049 -1.748 1.00 0.00 N ATOM 788 CA PHE A 61 -2.388 -5.718 -1.138 1.00 0.00 C ATOM 789 C PHE A 61 -3.358 -5.275 -2.228 1.00 0.00 C ATOM 790 O PHE A 61 -2.961 -4.863 -3.303 1.00 0.00 O ATOM 791 CB PHE A 61 -2.228 -4.591 -0.113 1.00 0.00 C ATOM 792 CG PHE A 61 -1.849 -3.294 -0.795 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.839 -2.504 -1.391 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.510 -2.877 -0.827 1.00 0.00 C ATOM 795 CE1 PHE A 61 -2.495 -1.300 -2.016 1.00 0.00 C ATOM 796 CE2 PHE A 61 -0.167 -1.671 -1.452 1.00 0.00 C ATOM 797 CZ PHE A 61 -1.159 -0.883 -2.047 1.00 0.00 C ATOM 0 H PHE A 61 -0.846 -5.526 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.778 -6.604 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.160 -4.459 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.463 -4.861 0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.870 -2.824 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.256 -3.486 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.261 -0.692 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.864 -1.349 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.894 0.046 -2.530 1.00 0.00 H new ATOM 807 N THR A 62 -4.634 -5.367 -1.954 1.00 0.00 N ATOM 808 CA THR A 62 -5.669 -4.963 -2.958 1.00 0.00 C ATOM 809 C THR A 62 -6.766 -4.148 -2.282 1.00 0.00 C ATOM 810 O THR A 62 -7.290 -4.516 -1.253 1.00 0.00 O ATOM 811 CB THR A 62 -6.271 -6.216 -3.597 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.239 -6.944 -4.246 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.331 -5.805 -4.621 1.00 0.00 C ATOM 0 H THR A 62 -5.009 -5.708 -1.069 1.00 0.00 H new ATOM 0 HA THR A 62 -5.202 -4.350 -3.729 1.00 0.00 H new ATOM 0 HB THR A 62 -6.733 -6.838 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.616 -7.750 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.761 -6.697 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.117 -5.237 -4.123 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.871 -5.188 -5.393 1.00 0.00 H new ATOM 821 N ALA A 63 -7.113 -3.037 -2.875 1.00 0.00 N ATOM 822 CA ALA A 63 -8.181 -2.155 -2.310 1.00 0.00 C ATOM 823 C ALA A 63 -9.092 -1.669 -3.434 1.00 0.00 C ATOM 824 O ALA A 63 -8.656 -1.366 -4.526 1.00 0.00 O ATOM 825 CB ALA A 63 -7.538 -0.955 -1.622 1.00 0.00 C ATOM 0 H ALA A 63 -6.696 -2.696 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.769 -2.718 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.316 -0.312 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.890 -1.301 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.949 -0.393 -2.346 1.00 0.00 H new ATOM 831 N GLY A 64 -10.368 -1.606 -3.162 1.00 0.00 N ATOM 832 CA GLY A 64 -11.360 -1.160 -4.188 1.00 0.00 C ATOM 833 C GLY A 64 -11.909 0.220 -3.834 1.00 0.00 C ATOM 834 O GLY A 64 -12.183 0.525 -2.686 1.00 0.00 O ATOM 0 H GLY A 64 -10.773 -1.848 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.888 -1.130 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.177 -1.879 -4.249 1.00 0.00 H new ATOM 838 N LYS A 65 -12.080 1.043 -4.835 1.00 0.00 N ATOM 839 CA LYS A 65 -12.622 2.417 -4.638 1.00 0.00 C ATOM 840 C LYS A 65 -12.034 3.051 -3.380 1.00 0.00 C ATOM 841 O LYS A 65 -12.470 2.786 -2.276 1.00 0.00 O ATOM 842 CB LYS A 65 -14.150 2.360 -4.539 1.00 0.00 C ATOM 843 CG LYS A 65 -14.737 1.937 -5.891 1.00 0.00 C ATOM 844 CD LYS A 65 -16.261 1.794 -5.770 1.00 0.00 C ATOM 845 CE LYS A 65 -16.918 3.179 -5.765 1.00 0.00 C ATOM 846 NZ LYS A 65 -18.379 3.035 -5.997 1.00 0.00 N ATOM 0 H LYS A 65 -11.861 0.813 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.341 3.032 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.448 1.653 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.543 3.335 -4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.491 2.676 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.297 0.992 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.646 1.203 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.513 1.259 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.738 3.675 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.476 3.806 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.825 3.974 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.541 2.578 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.794 2.452 -5.243 1.00 0.00 H new ATOM 860 N ASP A 66 -11.063 3.908 -3.563 1.00 0.00 N ATOM 861 CA ASP A 66 -10.421 4.606 -2.413 1.00 0.00 C ATOM 862 C ASP A 66 -9.850 3.579 -1.442 1.00 0.00 C ATOM 863 O ASP A 66 -8.700 3.199 -1.527 1.00 0.00 O ATOM 864 CB ASP A 66 -11.457 5.470 -1.688 1.00 0.00 C ATOM 865 CG ASP A 66 -11.793 6.697 -2.536 1.00 0.00 C ATOM 866 OD1 ASP A 66 -11.057 6.970 -3.472 1.00 0.00 O ATOM 867 OD2 ASP A 66 -12.781 7.344 -2.235 1.00 0.00 O ATOM 0 H ASP A 66 -10.683 4.156 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.617 5.240 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.360 4.889 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.069 5.782 -0.718 1.00 0.00 H new ATOM 872 N VAL A 67 -10.647 3.136 -0.513 1.00 0.00 N ATOM 873 CA VAL A 67 -10.174 2.131 0.484 1.00 0.00 C ATOM 874 C VAL A 67 -11.324 1.167 0.805 1.00 0.00 C ATOM 875 O VAL A 67 -11.268 0.413 1.755 1.00 0.00 O ATOM 876 CB VAL A 67 -9.725 2.860 1.763 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.755 1.970 2.541 1.00 0.00 C ATOM 878 CG2 VAL A 67 -9.021 4.169 1.385 1.00 0.00 C ATOM 0 H VAL A 67 -11.617 3.429 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.333 1.568 0.080 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.596 3.080 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.436 2.485 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.252 1.038 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.885 1.752 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.703 4.686 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.150 3.949 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.709 4.804 0.828 1.00 0.00 H new ATOM 888 N LYS A 68 -12.364 1.192 0.016 1.00 0.00 N ATOM 889 CA LYS A 68 -13.526 0.292 0.261 1.00 0.00 C ATOM 890 C LYS A 68 -13.139 -1.151 -0.051 1.00 0.00 C ATOM 891 O LYS A 68 -12.576 -1.455 -1.083 1.00 0.00 O ATOM 892 CB LYS A 68 -14.702 0.714 -0.629 1.00 0.00 C ATOM 893 CG LYS A 68 -15.218 2.088 -0.187 1.00 0.00 C ATOM 894 CD LYS A 68 -16.380 2.521 -1.088 1.00 0.00 C ATOM 895 CE LYS A 68 -16.844 3.925 -0.689 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.275 3.918 0.737 1.00 0.00 N ATOM 0 H LYS A 68 -12.458 1.803 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.820 0.365 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.386 0.752 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.502 -0.023 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.547 2.046 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.414 2.822 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.066 2.514 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.206 1.815 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.035 4.642 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.668 4.243 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.876 4.746 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.812 3.049 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.438 3.953 1.353 1.00 0.00 H new ATOM 910 N ILE A 69 -13.447 -2.029 0.853 1.00 0.00 N ATOM 911 CA ILE A 69 -13.125 -3.474 0.677 1.00 0.00 C ATOM 912 C ILE A 69 -11.649 -3.626 0.345 1.00 0.00 C ATOM 913 O ILE A 69 -11.214 -3.366 -0.759 1.00 0.00 O ATOM 914 CB ILE A 69 -13.983 -4.067 -0.439 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.461 -4.016 -0.026 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.569 -5.520 -0.675 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.343 -4.355 -1.231 1.00 0.00 C ATOM 0 H ILE A 69 -13.920 -1.805 1.729 1.00 0.00 H new ATOM 0 HA ILE A 69 -13.340 -4.009 1.602 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.842 -3.494 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.647 -4.721 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.709 -3.024 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.179 -5.947 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.518 -5.557 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.714 -6.093 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -17.392 -4.318 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.165 -3.632 -2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -16.101 -5.356 -1.589 1.00 0.00 H new ATOM 929 N PHE A 70 -10.871 -4.042 1.307 1.00 0.00 N ATOM 930 CA PHE A 70 -9.408 -4.214 1.085 1.00 0.00 C ATOM 931 C PHE A 70 -8.921 -5.497 1.745 1.00 0.00 C ATOM 932 O PHE A 70 -9.494 -5.986 2.696 1.00 0.00 O ATOM 933 CB PHE A 70 -8.656 -3.020 1.674 1.00 0.00 C ATOM 934 CG PHE A 70 -8.913 -2.929 3.161 1.00 0.00 C ATOM 935 CD1 PHE A 70 -10.011 -2.201 3.639 1.00 0.00 C ATOM 936 CD2 PHE A 70 -8.054 -3.569 4.065 1.00 0.00 C ATOM 937 CE1 PHE A 70 -10.249 -2.114 5.016 1.00 0.00 C ATOM 938 CE2 PHE A 70 -8.292 -3.480 5.443 1.00 0.00 C ATOM 939 CZ PHE A 70 -9.390 -2.752 5.918 1.00 0.00 C ATOM 0 H PHE A 70 -11.191 -4.272 2.248 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.219 -4.274 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.587 -3.125 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.977 -2.100 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.674 -1.707 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.208 -4.131 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -11.097 -1.554 5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.629 -3.973 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.574 -2.683 6.980 1.00 0.00 H new ATOM 949 N SER A 71 -7.858 -6.043 1.224 1.00 0.00 N ATOM 950 CA SER A 71 -7.290 -7.307 1.779 1.00 0.00 C ATOM 951 C SER A 71 -5.771 -7.196 1.854 1.00 0.00 C ATOM 952 O SER A 71 -5.140 -6.493 1.083 1.00 0.00 O ATOM 953 CB SER A 71 -7.669 -8.476 0.874 1.00 0.00 C ATOM 954 OG SER A 71 -7.118 -9.672 1.407 1.00 0.00 O ATOM 0 H SER A 71 -7.350 -5.663 0.425 1.00 0.00 H new ATOM 0 HA SER A 71 -7.691 -7.475 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.753 -8.560 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.295 -8.307 -0.136 1.00 0.00 H new ATOM 0 HG SER A 71 -7.359 -10.428 0.832 1.00 0.00 H new ATOM 960 N SER A 72 -5.183 -7.888 2.792 1.00 0.00 N ATOM 961 CA SER A 72 -3.699 -7.848 2.966 1.00 0.00 C ATOM 962 C SER A 72 -3.155 -9.262 3.161 1.00 0.00 C ATOM 963 O SER A 72 -3.821 -10.140 3.675 1.00 0.00 O ATOM 964 CB SER A 72 -3.353 -7.001 4.189 1.00 0.00 C ATOM 965 OG SER A 72 -1.950 -7.040 4.399 1.00 0.00 O ATOM 0 H SER A 72 -5.673 -8.488 3.455 1.00 0.00 H new ATOM 0 HA SER A 72 -3.249 -7.411 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.682 -5.973 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.875 -7.379 5.068 1.00 0.00 H new ATOM 0 HG SER A 72 -1.721 -6.497 5.182 1.00 0.00 H new ATOM 971 N SER A 73 -1.941 -9.475 2.738 1.00 0.00 N ATOM 972 CA SER A 73 -1.307 -10.817 2.863 1.00 0.00 C ATOM 973 C SER A 73 -0.877 -11.064 4.303 1.00 0.00 C ATOM 974 O SER A 73 -0.839 -10.170 5.123 1.00 0.00 O ATOM 975 CB SER A 73 -0.082 -10.887 1.948 1.00 0.00 C ATOM 976 OG SER A 73 0.751 -9.760 2.184 1.00 0.00 O ATOM 0 H SER A 73 -1.352 -8.765 2.304 1.00 0.00 H new ATOM 0 HA SER A 73 -2.030 -11.579 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.472 -11.807 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.395 -10.909 0.904 1.00 0.00 H new ATOM 0 HG SER A 73 1.536 -9.806 1.599 1.00 0.00 H new ATOM 982 N GLU A 74 -0.555 -12.289 4.606 1.00 0.00 N ATOM 983 CA GLU A 74 -0.130 -12.652 5.984 1.00 0.00 C ATOM 984 C GLU A 74 1.114 -11.850 6.366 1.00 0.00 C ATOM 985 O GLU A 74 1.208 -11.314 7.450 1.00 0.00 O ATOM 986 CB GLU A 74 0.200 -14.152 6.025 1.00 0.00 C ATOM 987 CG GLU A 74 -1.087 -14.964 5.856 1.00 0.00 C ATOM 988 CD GLU A 74 -0.755 -16.458 5.823 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.418 -16.788 5.892 1.00 0.00 O ATOM 990 OE2 GLU A 74 -1.681 -17.247 5.726 1.00 0.00 O ATOM 0 H GLU A 74 -0.569 -13.066 3.946 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.933 -12.428 6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.906 -14.401 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.680 -14.404 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.772 -14.752 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.593 -14.674 4.935 1.00 0.00 H new ATOM 997 N GLU A 75 2.066 -11.773 5.481 1.00 0.00 N ATOM 998 CA GLU A 75 3.320 -11.019 5.777 1.00 0.00 C ATOM 999 C GLU A 75 3.001 -9.536 5.939 1.00 0.00 C ATOM 1000 O GLU A 75 3.455 -8.896 6.863 1.00 0.00 O ATOM 1001 CB GLU A 75 4.306 -11.202 4.613 1.00 0.00 C ATOM 1002 CG GLU A 75 4.727 -12.679 4.516 1.00 0.00 C ATOM 1003 CD GLU A 75 3.687 -13.474 3.716 1.00 0.00 C ATOM 1004 OE1 GLU A 75 2.672 -12.901 3.358 1.00 0.00 O ATOM 1005 OE2 GLU A 75 3.926 -14.643 3.476 1.00 0.00 O ATOM 0 H GLU A 75 2.031 -12.203 4.557 1.00 0.00 H new ATOM 0 HA GLU A 75 3.762 -11.397 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.843 -10.884 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.183 -10.573 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.703 -12.756 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.829 -13.102 5.515 1.00 0.00 H new ATOM 1012 N LEU A 76 2.217 -8.994 5.051 1.00 0.00 N ATOM 1013 CA LEU A 76 1.849 -7.553 5.140 1.00 0.00 C ATOM 1014 C LEU A 76 0.939 -7.352 6.353 1.00 0.00 C ATOM 1015 O LEU A 76 0.892 -6.293 6.941 1.00 0.00 O ATOM 1016 CB LEU A 76 1.112 -7.130 3.859 1.00 0.00 C ATOM 1017 CG LEU A 76 0.770 -5.631 3.919 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.058 -4.794 3.964 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.046 -5.249 2.684 1.00 0.00 C ATOM 0 H LEU A 76 1.811 -9.492 4.259 1.00 0.00 H new ATOM 0 HA LEU A 76 2.747 -6.945 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.734 -7.335 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.200 -7.715 3.744 1.00 0.00 H new ATOM 0 HG LEU A 76 0.190 -5.433 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.803 -3.735 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.636 -5.063 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.650 -4.989 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.290 -4.187 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.536 -5.455 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.966 -5.832 2.661 1.00 0.00 H new ATOM 1031 N ASP A 77 0.196 -8.360 6.711 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.728 -8.250 7.871 1.00 0.00 C ATOM 1033 C ASP A 77 0.087 -8.074 9.156 1.00 0.00 C ATOM 1034 O ASP A 77 -0.303 -7.375 10.070 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.565 -9.532 7.976 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.529 -9.433 9.163 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -3.360 -8.540 9.153 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.426 -10.259 10.057 1.00 0.00 O ATOM 0 H ASP A 77 0.190 -9.266 6.243 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.385 -7.391 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.125 -9.687 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.910 -10.395 8.100 1.00 0.00 H new ATOM 1043 N LYS A 78 1.213 -8.728 9.232 1.00 0.00 N ATOM 1044 CA LYS A 78 2.064 -8.641 10.455 1.00 0.00 C ATOM 1045 C LYS A 78 2.796 -7.298 10.486 1.00 0.00 C ATOM 1046 O LYS A 78 3.437 -6.956 11.459 1.00 0.00 O ATOM 1047 CB LYS A 78 3.089 -9.785 10.443 1.00 0.00 C ATOM 1048 CG LYS A 78 2.357 -11.123 10.586 1.00 0.00 C ATOM 1049 CD LYS A 78 3.370 -12.271 10.568 1.00 0.00 C ATOM 1050 CE LYS A 78 2.636 -13.605 10.731 1.00 0.00 C ATOM 1051 NZ LYS A 78 3.622 -14.722 10.702 1.00 0.00 N ATOM 0 H LYS A 78 1.584 -9.325 8.493 1.00 0.00 H new ATOM 0 HA LYS A 78 1.433 -8.723 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.660 -9.767 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.802 -9.658 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.790 -11.140 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.640 -11.245 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.928 -12.263 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.095 -12.143 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.085 -13.616 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.905 -13.730 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.124 -15.628 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.129 -14.714 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.303 -14.604 11.479 1.00 0.00 H new ATOM 1065 N MET A 79 2.700 -6.540 9.427 1.00 0.00 N ATOM 1066 CA MET A 79 3.378 -5.211 9.382 1.00 0.00 C ATOM 1067 C MET A 79 2.494 -4.190 10.091 1.00 0.00 C ATOM 1068 O MET A 79 2.889 -3.066 10.332 1.00 0.00 O ATOM 1069 CB MET A 79 3.587 -4.781 7.923 1.00 0.00 C ATOM 1070 CG MET A 79 4.615 -5.702 7.264 1.00 0.00 C ATOM 1071 SD MET A 79 4.949 -5.134 5.578 1.00 0.00 S ATOM 1072 CE MET A 79 6.255 -3.947 5.984 1.00 0.00 C ATOM 0 H MET A 79 2.178 -6.785 8.586 1.00 0.00 H new ATOM 0 HA MET A 79 4.348 -5.275 9.874 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.643 -4.825 7.381 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.930 -3.747 7.883 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.537 -5.709 7.845 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.242 -6.726 7.246 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.612 -3.472 5.070 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.859 -3.187 6.658 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.081 -4.467 6.469 1.00 0.00 H new ATOM 1082 N PHE A 80 1.297 -4.586 10.425 1.00 0.00 N ATOM 1083 CA PHE A 80 0.359 -3.662 11.120 1.00 0.00 C ATOM 1084 C PHE A 80 0.864 -3.394 12.534 1.00 0.00 C ATOM 1085 O PHE A 80 1.324 -4.279 13.223 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.044 -4.313 11.168 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.827 -3.970 9.911 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -2.095 -2.632 9.601 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.281 -4.984 9.062 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -2.812 -2.311 8.442 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.001 -4.663 7.904 1.00 0.00 C ATOM 1092 CZ PHE A 80 -3.263 -3.326 7.593 1.00 0.00 C ATOM 0 H PHE A 80 0.926 -5.519 10.244 1.00 0.00 H new ATOM 0 HA PHE A 80 0.299 -2.715 10.583 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.948 -5.395 11.261 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.584 -3.964 12.048 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.749 -1.846 10.256 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.076 -6.017 9.300 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.017 -1.278 8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.353 -5.448 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.813 -3.077 6.698 1.00 0.00 H new ATOM 1102 N GLN A 81 0.775 -2.164 12.961 1.00 0.00 N ATOM 1103 CA GLN A 81 1.241 -1.783 14.328 1.00 0.00 C ATOM 1104 C GLN A 81 0.127 -1.034 15.045 1.00 0.00 C ATOM 1105 O GLN A 81 -0.162 -1.293 16.197 1.00 0.00 O ATOM 1106 CB GLN A 81 2.467 -0.871 14.211 1.00 0.00 C ATOM 1107 CG GLN A 81 3.649 -1.684 13.681 1.00 0.00 C ATOM 1108 CD GLN A 81 4.882 -0.789 13.547 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.856 0.363 13.927 1.00 0.00 O ATOM 1110 NE2 GLN A 81 5.971 -1.278 13.018 1.00 0.00 N ATOM 0 H GLN A 81 0.393 -1.394 12.412 1.00 0.00 H new ATOM 0 HA GLN A 81 1.504 -2.680 14.889 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.253 -0.038 13.541 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.711 -0.443 15.183 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.863 -2.513 14.356 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.398 -2.118 12.713 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.992 -2.246 12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.800 -0.692 12.924 1.00 0.00 H new ATOM 1119 N GLU A 82 -0.501 -0.101 14.372 1.00 0.00 N ATOM 1120 CA GLU A 82 -1.595 0.684 15.006 1.00 0.00 C ATOM 1121 C GLU A 82 -2.948 0.230 14.441 1.00 0.00 C ATOM 1122 O GLU A 82 -3.027 -0.270 13.335 1.00 0.00 O ATOM 1123 CB GLU A 82 -1.392 2.176 14.708 1.00 0.00 C ATOM 1124 CG GLU A 82 -0.310 2.737 15.636 1.00 0.00 C ATOM 1125 CD GLU A 82 1.010 2.003 15.390 1.00 0.00 C ATOM 1126 OE1 GLU A 82 1.629 2.263 14.371 1.00 0.00 O ATOM 1127 OE2 GLU A 82 1.382 1.197 16.228 1.00 0.00 O ATOM 0 H GLU A 82 -0.298 0.149 13.404 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.580 0.522 16.084 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.101 2.314 13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.327 2.718 14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.182 3.805 15.458 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.614 2.621 16.676 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.009 0.414 15.189 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.380 0.029 14.740 1.00 0.00 C ATOM 1136 C PRO A 83 -5.744 0.627 13.381 1.00 0.00 C ATOM 1137 O PRO A 83 -5.344 1.723 13.043 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.300 0.577 15.845 1.00 0.00 C ATOM 1139 CG PRO A 83 -5.430 0.721 17.052 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.024 1.002 16.542 1.00 0.00 C ATOM 0 HA PRO A 83 -5.468 -1.048 14.601 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.733 1.535 15.556 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.130 -0.103 16.038 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.781 1.533 17.688 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.450 -0.187 17.655 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.816 2.072 16.514 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.269 0.547 17.183 1.00 0.00 H new ATOM 1148 N ARG A 84 -6.496 -0.103 12.606 1.00 0.00 N ATOM 1149 CA ARG A 84 -6.895 0.382 11.257 1.00 0.00 C ATOM 1150 C ARG A 84 -8.015 1.408 11.383 1.00 0.00 C ATOM 1151 O ARG A 84 -8.938 1.255 12.156 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.369 -0.805 10.403 1.00 0.00 C ATOM 1153 CG ARG A 84 -6.189 -1.748 10.134 1.00 0.00 C ATOM 1154 CD ARG A 84 -6.648 -2.920 9.258 1.00 0.00 C ATOM 1155 NE ARG A 84 -7.614 -3.772 10.015 1.00 0.00 N ATOM 1156 CZ ARG A 84 -7.188 -4.701 10.834 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -5.908 -4.897 11.014 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -8.053 -5.442 11.472 1.00 0.00 N ATOM 0 H ARG A 84 -6.855 -1.025 12.853 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.037 0.852 10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.166 -1.341 10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.783 -0.446 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.384 -1.205 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.788 -2.122 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.116 -2.544 8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.788 -3.515 8.951 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.616 -3.629 9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.229 -4.323 10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.588 -5.624 11.655 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.052 -5.295 11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.729 -6.168 12.112 1.00 0.00 H new ATOM 1172 N LYS A 85 -7.927 2.460 10.616 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.964 3.535 10.658 1.00 0.00 C ATOM 1174 C LYS A 85 -9.300 3.996 9.242 1.00 0.00 C ATOM 1175 O LYS A 85 -8.485 3.951 8.343 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.439 4.721 11.466 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.297 4.321 12.934 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.764 5.508 13.740 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.540 5.084 15.195 1.00 0.00 C ATOM 1180 NZ LYS A 85 -8.834 4.646 15.791 1.00 0.00 N ATOM 0 H LYS A 85 -7.170 2.624 9.952 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.864 3.140 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.475 5.044 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.121 5.567 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.262 4.003 13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.619 3.472 13.026 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.829 5.864 13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.471 6.336 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.814 4.273 15.241 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.127 5.915 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.753 4.635 16.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.587 5.306 15.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.067 3.691 15.452 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.508 4.437 9.052 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.953 4.911 7.713 1.00 0.00 C ATOM 1196 C GLY A 86 -10.123 6.112 7.277 1.00 0.00 C ATOM 1197 O GLY A 86 -9.456 6.741 8.070 1.00 0.00 O ATOM 0 H GLY A 86 -11.220 4.491 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.854 4.107 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.008 5.182 7.747 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.168 6.420 6.011 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.391 7.571 5.467 1.00 0.00 C ATOM 1203 C TYR A 87 -9.845 8.869 6.148 1.00 0.00 C ATOM 1204 O TYR A 87 -9.043 9.700 6.538 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.643 7.674 3.957 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.937 8.894 3.416 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.540 8.910 3.333 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.676 10.008 2.998 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.881 10.039 2.835 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -9.017 11.136 2.499 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.619 11.153 2.417 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.971 12.266 1.926 1.00 0.00 O ATOM 0 H TYR A 87 -10.720 5.914 5.318 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.329 7.418 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.281 6.777 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.713 7.741 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.970 8.050 3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.754 9.996 3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.803 10.051 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.587 11.995 2.177 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.631 12.947 1.680 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.128 9.046 6.279 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.670 10.277 6.922 1.00 0.00 C ATOM 1224 C ASP A 88 -11.329 10.279 8.412 1.00 0.00 C ATOM 1225 O ASP A 88 -11.136 11.317 9.014 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.197 10.315 6.747 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.836 9.021 7.272 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -13.104 8.120 7.641 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -15.057 8.957 7.290 1.00 0.00 O ATOM 0 H ASP A 88 -11.835 8.382 5.964 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.224 11.153 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.608 11.172 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.444 10.447 5.694 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.280 9.122 9.010 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.982 9.025 10.470 1.00 0.00 C ATOM 1236 C GLU A 89 -9.545 9.469 10.753 1.00 0.00 C ATOM 1237 O GLU A 89 -9.292 10.214 11.678 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.157 7.567 10.915 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.635 7.175 10.854 1.00 0.00 C ATOM 1240 CD GLU A 89 -13.421 7.968 11.900 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.809 8.429 12.848 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -14.624 8.095 11.736 1.00 0.00 O ATOM 0 H GLU A 89 -11.435 8.227 8.545 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.664 9.674 11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.571 6.909 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.780 7.440 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.033 7.373 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.746 6.106 11.035 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.607 9.014 9.967 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.180 9.400 10.188 1.00 0.00 C ATOM 1251 C ILE A 90 -7.008 10.898 9.935 1.00 0.00 C ATOM 1252 O ILE A 90 -6.226 11.559 10.590 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.272 8.595 9.242 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.769 8.721 7.800 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.285 7.121 9.654 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.751 8.097 6.843 1.00 0.00 C ATOM 0 H ILE A 90 -8.767 8.389 9.177 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.900 9.180 11.218 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.257 8.988 9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.733 8.224 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.922 9.771 7.549 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.642 6.550 8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.919 7.026 10.676 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.303 6.736 9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.111 8.190 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.796 8.613 6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.620 7.043 7.088 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.727 11.434 8.981 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.612 12.890 8.668 1.00 0.00 C ATOM 1270 C LEU A 91 -8.056 13.714 9.875 1.00 0.00 C ATOM 1271 O LEU A 91 -7.446 14.707 10.216 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.517 13.225 7.465 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.827 12.808 6.155 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.816 12.940 4.981 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.593 13.705 5.899 1.00 0.00 C ATOM 0 H LEU A 91 -8.393 10.922 8.402 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.575 13.127 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.472 12.709 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.733 14.293 7.448 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.503 11.771 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.323 12.644 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.677 12.295 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.148 13.975 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.110 13.403 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.909 14.745 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.889 13.600 6.724 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.119 13.312 10.513 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.618 14.066 11.700 1.00 0.00 C ATOM 1289 C GLU A 92 -8.635 13.880 12.856 1.00 0.00 C ATOM 1290 O GLU A 92 -8.341 14.801 13.591 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.994 13.518 12.108 1.00 0.00 C ATOM 1292 CG GLU A 92 -12.016 13.810 11.005 1.00 0.00 C ATOM 1293 CD GLU A 92 -12.229 15.321 10.888 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -11.914 16.019 11.837 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -12.701 15.753 9.850 1.00 0.00 O ATOM 0 H GLU A 92 -9.668 12.489 10.263 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.706 15.125 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.931 12.444 12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.315 13.975 13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.665 13.408 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.961 13.316 11.231 1.00 0.00 H new ATOM 1302 N HIS A 93 -8.133 12.684 13.009 1.00 0.00 N ATOM 1303 CA HIS A 93 -7.162 12.372 14.100 1.00 0.00 C ATOM 1304 C HIS A 93 -7.559 13.071 15.392 1.00 0.00 C ATOM 1305 O HIS A 93 -8.679 13.507 15.556 1.00 0.00 O ATOM 1306 CB HIS A 93 -5.755 12.813 13.696 1.00 0.00 C ATOM 1307 CG HIS A 93 -5.757 14.276 13.353 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -5.857 14.727 12.048 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -5.670 15.402 14.134 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -5.828 16.072 12.080 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -5.714 16.535 13.328 1.00 0.00 N ATOM 0 H HIS A 93 -8.361 11.891 12.409 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.172 11.294 14.264 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -5.057 12.622 14.511 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.413 12.230 12.841 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -5.938 14.146 11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -5.581 15.407 15.210 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.889 16.700 11.204 1.00 0.00 H new ATOM 1319 N HIS A 94 -6.642 13.159 16.320 1.00 0.00 N ATOM 1320 CA HIS A 94 -6.932 13.809 17.635 1.00 0.00 C ATOM 1321 C HIS A 94 -6.024 15.016 17.825 1.00 0.00 C ATOM 1322 O HIS A 94 -4.815 14.907 17.854 1.00 0.00 O ATOM 1323 CB HIS A 94 -6.692 12.801 18.760 1.00 0.00 C ATOM 1324 CG HIS A 94 -5.241 12.399 18.792 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -4.704 11.494 17.891 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -4.206 12.765 19.618 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -3.399 11.347 18.191 1.00 0.00 C ATOM 1328 NE2 HIS A 94 -3.044 12.099 19.236 1.00 0.00 N ATOM 0 H HIS A 94 -5.691 12.803 16.222 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.971 14.139 17.656 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.978 13.237 19.717 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.318 11.921 18.611 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.282 13.463 20.439 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.722 10.700 17.652 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.120 12.170 19.663 1.00 0.00 H new ATOM 1336 N HIS A 95 -6.616 16.172 17.962 1.00 0.00 N ATOM 1337 CA HIS A 95 -5.828 17.428 18.163 1.00 0.00 C ATOM 1338 C HIS A 95 -6.346 18.172 19.392 1.00 0.00 C ATOM 1339 O HIS A 95 -7.500 18.541 19.475 1.00 0.00 O ATOM 1340 CB HIS A 95 -5.957 18.316 16.924 1.00 0.00 C ATOM 1341 CG HIS A 95 -5.241 19.616 17.168 1.00 0.00 C ATOM 1342 ND1 HIS A 95 -3.858 19.708 17.165 1.00 0.00 N ATOM 1343 CD2 HIS A 95 -5.701 20.883 17.430 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -3.538 20.990 17.417 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -4.624 21.750 17.586 1.00 0.00 N ATOM 0 H HIS A 95 -7.627 16.303 17.943 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.779 17.176 18.317 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.534 17.812 16.055 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.008 18.502 16.704 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.741 21.164 17.504 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.525 21.360 17.476 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.656 22.750 17.786 1.00 0.00 H new ATOM 1353 N HIS A 96 -5.479 18.393 20.346 1.00 0.00 N ATOM 1354 CA HIS A 96 -5.868 19.116 21.601 1.00 0.00 C ATOM 1355 C HIS A 96 -5.142 20.460 21.664 1.00 0.00 C ATOM 1356 O HIS A 96 -3.950 20.536 21.887 1.00 0.00 O ATOM 1357 CB HIS A 96 -5.490 18.264 22.813 1.00 0.00 C ATOM 1358 CG HIS A 96 -6.301 16.996 22.802 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -7.631 16.968 23.191 1.00 0.00 N ATOM 1360 CD2 HIS A 96 -5.986 15.706 22.451 1.00 0.00 C ATOM 1361 CE1 HIS A 96 -8.063 15.700 23.067 1.00 0.00 C ATOM 1362 NE2 HIS A 96 -7.100 14.889 22.619 1.00 0.00 N ATOM 0 H HIS A 96 -4.503 18.100 20.311 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.944 19.292 21.604 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -4.426 18.029 22.789 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.673 18.819 23.733 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -5.020 15.376 22.098 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.067 15.377 23.301 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.167 13.887 22.439 1.00 0.00 H new ATOM 1370 N HIS A 97 -5.876 21.521 21.479 1.00 0.00 N ATOM 1371 CA HIS A 97 -5.283 22.887 21.527 1.00 0.00 C ATOM 1372 C HIS A 97 -4.835 23.191 22.958 1.00 0.00 C ATOM 1373 O HIS A 97 -3.769 23.725 23.184 1.00 0.00 O ATOM 1374 CB HIS A 97 -6.342 23.910 21.095 1.00 0.00 C ATOM 1375 CG HIS A 97 -5.747 25.290 21.118 1.00 0.00 C ATOM 1376 ND1 HIS A 97 -4.746 25.674 20.241 1.00 0.00 N ATOM 1377 CD2 HIS A 97 -6.000 26.388 21.904 1.00 0.00 C ATOM 1378 CE1 HIS A 97 -4.434 26.954 20.516 1.00 0.00 C ATOM 1379 NE2 HIS A 97 -5.168 27.438 21.522 1.00 0.00 N ATOM 0 H HIS A 97 -6.879 21.499 21.293 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.425 22.942 20.857 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.702 23.675 20.094 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.202 23.862 21.763 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.732 26.431 22.697 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.682 27.521 19.988 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.128 28.375 21.924 1.00 0.00 H new ATOM 1387 N HIS A 98 -5.655 22.861 23.919 1.00 0.00 N ATOM 1388 CA HIS A 98 -5.306 23.132 25.347 1.00 0.00 C ATOM 1389 C HIS A 98 -4.401 22.016 25.879 1.00 0.00 C ATOM 1390 O HIS A 98 -4.851 20.883 25.930 1.00 0.00 O ATOM 1391 CB HIS A 98 -6.598 23.201 26.174 1.00 0.00 C ATOM 1392 CG HIS A 98 -6.281 23.676 27.565 1.00 0.00 C ATOM 1393 ND1 HIS A 98 -5.839 22.817 28.559 1.00 0.00 N ATOM 1394 CD2 HIS A 98 -6.337 24.921 28.144 1.00 0.00 C ATOM 1395 CE1 HIS A 98 -5.648 23.548 29.672 1.00 0.00 C ATOM 1396 NE2 HIS A 98 -5.937 24.838 29.473 1.00 0.00 N ATOM 1397 OXT HIS A 98 -3.268 22.316 26.224 1.00 0.00 O ATOM 0 H HIS A 98 -6.559 22.412 23.777 1.00 0.00 H new ATOM 0 HA HIS A 98 -4.775 24.081 25.423 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.309 23.878 25.701 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.070 22.219 26.213 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.645 25.827 27.643 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.303 23.142 30.612 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.877 25.598 30.151 1.00 0.00 H new TER 1405 HIS A 98