USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 689 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 69 TYR OH : rot 159:sc= 0.119 USER MOD Set 1.2: A 75 THR OG1 : rot 29:sc= 1.35 USER MOD Set 2.1: A 30 SER OG : rot -7:sc= -0.732 USER MOD Set 2.2: A 62 GLN : amide:sc= -3.32 K(o=-3.2,f=0.46) USER MOD Set 2.3: A 80 ASN : amide:sc= 0.902 K(o=-3.2,f=0.46) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.5!) USER MOD Set 3.2: A 59 SER OG : rot -170:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.427 K(o=-0.43,f=-1.2) USER MOD Single : A 27 SER OG : rot 180:sc= -0.137 USER MOD Single : A 31 GLN : amide:sc= 0.93 K(o=0.93,f=-8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.005 (180deg=-0.0998) USER MOD Single : A 46 LYS NZ :NH3+ -111:sc= 0.497 (180deg=0.0725) USER MOD Single : A 48 ASN : amide:sc= -4.02! K(o=-4!,f=-2.1) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 2.19 (180deg=1.32) USER MOD Single : A 73 GLN : amide:sc= 0.642 K(o=0.64,f=-0.47) USER MOD Single : A 76 ASN : amide:sc= -0.914! X(o=-0.91!,f=-0.67) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.03 K(o=-1,f=-0.16) USER MOD Single : A 88 THR OG1 : rot -75:sc= 1.6 USER MOD Single : A 93 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0036) USER MOD Single : A 96 SER OG : rot 154:sc= 1.04 USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -0.0688 (180deg=-0.405) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.124 -11.444 -2.824 1.00 0.00 N ATOM 2 CA GLY A 15 4.352 -12.199 -3.123 1.00 0.00 C ATOM 3 C GLY A 15 5.564 -11.371 -2.858 1.00 0.00 C ATOM 4 O GLY A 15 6.460 -11.234 -3.710 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.385 -13.103 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.344 -12.516 -4.166 1.00 0.00 H new ATOM 8 N LEU A 16 5.635 -10.833 -1.677 1.00 0.00 N ATOM 9 CA LEU A 16 6.682 -9.966 -1.338 1.00 0.00 C ATOM 10 C LEU A 16 7.106 -10.111 0.076 1.00 0.00 C ATOM 11 O LEU A 16 6.498 -10.843 0.850 1.00 0.00 O ATOM 12 CB LEU A 16 6.417 -8.490 -1.716 1.00 0.00 C ATOM 13 CG LEU A 16 5.051 -7.838 -1.497 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.493 -8.112 -0.140 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.214 -6.348 -1.663 1.00 0.00 C ATOM 0 H LEU A 16 4.958 -10.994 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 16 7.522 -10.282 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.145 -7.889 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.649 -8.389 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 16 4.355 -8.257 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.523 -7.625 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.375 -9.187 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.173 -7.724 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.252 -5.858 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.930 -5.976 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.578 -6.131 -2.668 1.00 0.00 H new ATOM 27 N ARG A 17 8.135 -9.409 0.407 1.00 0.00 N ATOM 28 CA ARG A 17 8.684 -9.445 1.716 1.00 0.00 C ATOM 29 C ARG A 17 8.055 -8.374 2.545 1.00 0.00 C ATOM 30 O ARG A 17 8.017 -8.492 3.779 1.00 0.00 O ATOM 31 CB ARG A 17 10.188 -9.261 1.676 1.00 0.00 C ATOM 32 CG ARG A 17 10.887 -10.296 0.846 1.00 0.00 C ATOM 33 CD ARG A 17 12.375 -10.054 0.769 1.00 0.00 C ATOM 34 NE ARG A 17 13.007 -11.030 -0.113 1.00 0.00 N ATOM 35 CZ ARG A 17 13.931 -10.741 -1.027 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.477 -9.537 -1.062 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.339 -11.665 -1.873 1.00 0.00 N ATOM 0 H ARG A 17 8.625 -8.785 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 17 8.476 -10.419 2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.416 -8.272 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.579 -9.295 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.702 -11.284 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.468 -10.296 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.567 -9.046 0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.812 -10.119 1.765 1.00 0.00 H new ATOM 0 HE ARG A 17 12.720 -12.005 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.190 -8.827 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.185 -9.318 -1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.947 -12.606 -1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.047 -11.440 -2.572 1.00 0.00 H new ATOM 51 N GLU A 18 7.554 -7.300 1.887 1.00 0.00 N ATOM 52 CA GLU A 18 6.882 -6.245 2.681 1.00 0.00 C ATOM 53 C GLU A 18 6.113 -5.206 1.882 1.00 0.00 C ATOM 54 O GLU A 18 6.557 -4.798 0.804 1.00 0.00 O ATOM 55 CB GLU A 18 7.898 -5.502 3.564 1.00 0.00 C ATOM 56 CG GLU A 18 9.073 -4.890 2.828 1.00 0.00 C ATOM 57 CD GLU A 18 10.221 -4.571 3.727 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.925 -5.505 4.157 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.478 -3.379 3.996 1.00 0.00 O ATOM 0 H GLU A 18 7.596 -7.145 0.880 1.00 0.00 H new ATOM 0 HA GLU A 18 6.147 -6.794 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.376 -4.711 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.281 -6.197 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.407 -5.578 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.746 -3.979 2.327 1.00 0.00 H new ATOM 66 N ILE A 19 4.937 -4.809 2.404 1.00 0.00 N ATOM 67 CA ILE A 19 4.315 -3.575 1.961 1.00 0.00 C ATOM 68 C ILE A 19 4.280 -2.690 3.177 1.00 0.00 C ATOM 69 O ILE A 19 3.986 -3.147 4.298 1.00 0.00 O ATOM 70 CB ILE A 19 2.850 -3.688 1.338 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.689 -2.755 0.150 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.720 -3.339 2.336 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.520 -3.115 -1.033 1.00 0.00 C ATOM 0 H ILE A 19 4.418 -5.321 3.117 1.00 0.00 H new ATOM 0 HA ILE A 19 4.905 -3.192 1.128 1.00 0.00 H new ATOM 0 HB ILE A 19 2.756 -4.734 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.641 -2.744 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.943 -1.742 0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.754 -3.438 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.763 -4.019 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.846 -2.314 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.343 -2.397 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.574 -3.097 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.252 -4.114 -1.376 1.00 0.00 H new ATOM 85 N ARG A 20 4.648 -1.501 3.003 1.00 0.00 N ATOM 86 CA ARG A 20 4.609 -0.537 4.048 1.00 0.00 C ATOM 87 C ARG A 20 4.051 0.708 3.458 1.00 0.00 C ATOM 88 O ARG A 20 4.695 1.334 2.628 1.00 0.00 O ATOM 89 CB ARG A 20 6.013 -0.278 4.652 1.00 0.00 C ATOM 90 CG ARG A 20 6.675 -1.517 5.256 1.00 0.00 C ATOM 91 CD ARG A 20 8.036 -1.217 5.865 1.00 0.00 C ATOM 92 NE ARG A 20 7.969 -0.317 7.037 1.00 0.00 N ATOM 93 CZ ARG A 20 9.037 0.272 7.619 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.250 0.118 7.109 1.00 0.00 N ATOM 95 NH2 ARG A 20 8.870 1.015 8.696 1.00 0.00 N ATOM 0 H ARG A 20 4.997 -1.141 2.115 1.00 0.00 H new ATOM 0 HA ARG A 20 3.991 -0.899 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.662 0.124 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.929 0.487 5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.023 -1.935 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.787 -2.277 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.508 -2.154 6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.674 -0.766 5.105 1.00 0.00 H new ATOM 0 HE ARG A 20 7.049 -0.127 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.383 -0.448 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.051 0.566 7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.937 1.144 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.674 1.461 9.138 1.00 0.00 H new ATOM 109 N ILE A 21 2.855 1.064 3.837 1.00 0.00 N ATOM 110 CA ILE A 21 2.250 2.248 3.279 1.00 0.00 C ATOM 111 C ILE A 21 3.034 3.373 3.817 1.00 0.00 C ATOM 112 O ILE A 21 3.351 3.384 4.969 1.00 0.00 O ATOM 113 CB ILE A 21 0.847 2.547 3.805 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.081 1.315 4.258 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.053 3.338 2.759 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.193 1.677 4.980 1.00 0.00 C ATOM 0 H ILE A 21 2.285 0.563 4.519 1.00 0.00 H new ATOM 0 HA ILE A 21 2.217 2.112 2.198 1.00 0.00 H new ATOM 0 HB ILE A 21 0.975 3.151 4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.156 0.696 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.712 0.716 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.946 3.547 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.564 4.277 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.025 2.753 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.709 0.767 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.955 2.273 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.837 2.253 4.315 1.00 0.00 H new ATOM 128 N HIS A 22 3.339 4.275 3.037 1.00 0.00 N ATOM 129 CA HIS A 22 3.996 5.412 3.501 1.00 0.00 C ATOM 130 C HIS A 22 2.846 6.391 3.466 1.00 0.00 C ATOM 131 O HIS A 22 2.376 6.737 2.387 1.00 0.00 O ATOM 132 CB HIS A 22 5.084 5.726 2.438 1.00 0.00 C ATOM 133 CG HIS A 22 6.297 6.510 2.856 1.00 0.00 C ATOM 134 ND1 HIS A 22 7.205 7.006 1.943 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.808 6.795 4.063 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.205 7.552 2.575 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.995 7.438 3.858 1.00 0.00 N ATOM 0 H HIS A 22 3.146 4.266 2.035 1.00 0.00 H new ATOM 0 HA HIS A 22 4.492 5.380 4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.429 4.777 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.604 6.269 1.624 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.363 6.560 5.019 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.063 8.020 2.115 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.619 7.776 4.591 1.00 0.00 H new ATOM 146 N LEU A 23 2.430 6.862 4.597 1.00 0.00 N ATOM 147 CA LEU A 23 1.205 7.634 4.663 1.00 0.00 C ATOM 148 C LEU A 23 1.544 9.077 4.914 1.00 0.00 C ATOM 149 O LEU A 23 2.685 9.452 4.694 1.00 0.00 O ATOM 150 CB LEU A 23 0.307 7.016 5.768 1.00 0.00 C ATOM 151 CG LEU A 23 -1.124 7.542 5.923 1.00 0.00 C ATOM 152 CD1 LEU A 23 -1.876 7.446 4.612 1.00 0.00 C ATOM 153 CD2 LEU A 23 -1.847 6.758 7.003 1.00 0.00 C ATOM 0 H LEU A 23 2.908 6.734 5.489 1.00 0.00 H new ATOM 0 HA LEU A 23 0.651 7.601 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.248 5.943 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.815 7.151 6.723 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.080 8.592 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.889 7.825 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.364 8.039 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.917 6.405 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.864 7.137 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.879 5.704 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.318 6.870 7.950 1.00 0.00 H new ATOM 165 N CYS A 24 0.551 9.889 5.251 1.00 0.00 N ATOM 166 CA CYS A 24 0.739 11.267 5.626 1.00 0.00 C ATOM 167 C CYS A 24 -0.598 11.898 5.893 1.00 0.00 C ATOM 168 O CYS A 24 -1.539 11.692 5.142 1.00 0.00 O ATOM 169 CB CYS A 24 1.427 12.075 4.540 1.00 0.00 C ATOM 170 SG CYS A 24 1.916 13.722 5.105 1.00 0.00 S ATOM 0 H CYS A 24 -0.425 9.593 5.269 1.00 0.00 H new ATOM 0 HA CYS A 24 1.371 11.272 6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.309 11.536 4.195 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.758 12.172 3.685 1.00 0.00 H new ATOM 175 N GLN A 25 -0.692 12.655 6.950 1.00 0.00 N ATOM 176 CA GLN A 25 -1.905 13.388 7.247 1.00 0.00 C ATOM 177 C GLN A 25 -1.630 14.873 7.060 1.00 0.00 C ATOM 178 O GLN A 25 -2.482 15.716 7.321 1.00 0.00 O ATOM 179 CB GLN A 25 -2.392 13.142 8.698 1.00 0.00 C ATOM 180 CG GLN A 25 -2.791 11.705 9.051 1.00 0.00 C ATOM 181 CD GLN A 25 -1.624 10.735 9.130 1.00 0.00 C ATOM 182 OE1 GLN A 25 -0.494 11.113 9.468 1.00 0.00 O ATOM 183 NE2 GLN A 25 -1.874 9.503 8.830 1.00 0.00 N ATOM 0 H GLN A 25 0.058 12.785 7.628 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.687 13.043 6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.602 13.454 9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.249 13.790 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.311 11.709 10.009 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.500 11.343 8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.817 9.226 8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.129 8.808 8.868 1.00 0.00 H new ATOM 192 N ARG A 26 -0.437 15.180 6.595 1.00 0.00 N ATOM 193 CA ARG A 26 0.016 16.549 6.487 1.00 0.00 C ATOM 194 C ARG A 26 -0.133 17.134 5.068 1.00 0.00 C ATOM 195 O ARG A 26 -0.617 18.262 4.925 1.00 0.00 O ATOM 196 CB ARG A 26 1.458 16.667 7.075 1.00 0.00 C ATOM 197 CG ARG A 26 2.146 18.034 6.988 1.00 0.00 C ATOM 198 CD ARG A 26 2.808 18.250 5.638 1.00 0.00 C ATOM 199 NE ARG A 26 3.467 19.546 5.539 1.00 0.00 N ATOM 200 CZ ARG A 26 4.398 19.863 4.629 1.00 0.00 C ATOM 201 NH1 ARG A 26 4.837 18.943 3.766 1.00 0.00 N ATOM 202 NH2 ARG A 26 4.887 21.090 4.584 1.00 0.00 N ATOM 0 H ARG A 26 0.244 14.488 6.282 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.641 17.178 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.418 16.376 8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.090 15.939 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.413 18.821 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.894 18.115 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.539 17.460 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.058 18.167 4.852 1.00 0.00 H new ATOM 0 HE ARG A 26 3.200 20.265 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.463 17.994 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.546 19.189 3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.556 21.795 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.596 21.331 3.891 1.00 0.00 H new ATOM 216 N SER A 27 0.250 16.404 4.030 1.00 0.00 N ATOM 217 CA SER A 27 0.176 16.967 2.691 1.00 0.00 C ATOM 218 C SER A 27 -1.011 16.383 1.912 1.00 0.00 C ATOM 219 O SER A 27 -1.592 15.396 2.380 1.00 0.00 O ATOM 220 CB SER A 27 1.492 16.730 1.957 1.00 0.00 C ATOM 221 OG SER A 27 2.579 17.370 2.608 1.00 0.00 O ATOM 0 H SER A 27 0.605 15.449 4.085 1.00 0.00 H new ATOM 0 HA SER A 27 0.012 18.042 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.685 15.659 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.411 17.101 0.935 1.00 0.00 H new ATOM 0 HG SER A 27 3.406 17.196 2.112 1.00 0.00 H new ATOM 227 N PRO A 28 -1.416 17.050 0.756 1.00 0.00 N ATOM 228 CA PRO A 28 -2.488 16.632 -0.167 1.00 0.00 C ATOM 229 C PRO A 28 -2.836 15.143 -0.110 1.00 0.00 C ATOM 230 O PRO A 28 -2.070 14.284 -0.564 1.00 0.00 O ATOM 231 CB PRO A 28 -1.868 17.010 -1.505 1.00 0.00 C ATOM 232 CG PRO A 28 -1.185 18.313 -1.223 1.00 0.00 C ATOM 233 CD PRO A 28 -0.847 18.324 0.260 1.00 0.00 C ATOM 0 HA PRO A 28 -3.446 17.099 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.162 16.253 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.625 17.114 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.282 18.414 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.833 19.152 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.229 18.374 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.287 19.184 0.765 1.00 0.00 H new ATOM 241 N GLY A 29 -4.009 14.864 0.423 1.00 0.00 N ATOM 242 CA GLY A 29 -4.412 13.518 0.730 1.00 0.00 C ATOM 243 C GLY A 29 -4.962 12.735 -0.435 1.00 0.00 C ATOM 244 O GLY A 29 -4.911 13.167 -1.598 1.00 0.00 O ATOM 0 H GLY A 29 -4.707 15.571 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.554 12.982 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.168 13.551 1.515 1.00 0.00 H new ATOM 248 N SER A 30 -5.451 11.562 -0.126 1.00 0.00 N ATOM 249 CA SER A 30 -6.029 10.662 -1.083 1.00 0.00 C ATOM 250 C SER A 30 -7.101 9.856 -0.389 1.00 0.00 C ATOM 251 O SER A 30 -6.876 9.244 0.665 1.00 0.00 O ATOM 252 CB SER A 30 -4.964 9.779 -1.701 1.00 0.00 C ATOM 253 OG SER A 30 -3.935 10.566 -2.278 1.00 0.00 O ATOM 0 H SER A 30 -5.457 11.199 0.827 1.00 0.00 H new ATOM 0 HA SER A 30 -6.481 11.221 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.543 9.121 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.411 9.140 -2.463 1.00 0.00 H new ATOM 0 HG SER A 30 -4.195 11.511 -2.256 1.00 0.00 H new ATOM 259 N GLN A 31 -8.217 9.822 -1.002 1.00 0.00 N ATOM 260 CA GLN A 31 -9.424 9.340 -0.418 1.00 0.00 C ATOM 261 C GLN A 31 -9.526 7.864 -0.577 1.00 0.00 C ATOM 262 O GLN A 31 -9.847 7.157 0.375 1.00 0.00 O ATOM 263 CB GLN A 31 -10.668 10.071 -1.002 1.00 0.00 C ATOM 264 CG GLN A 31 -10.915 9.908 -2.536 1.00 0.00 C ATOM 265 CD GLN A 31 -10.018 10.748 -3.493 1.00 0.00 C ATOM 266 OE1 GLN A 31 -8.871 11.093 -3.200 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.533 11.032 -4.659 1.00 0.00 N ATOM 0 H GLN A 31 -8.330 10.140 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.399 9.560 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.552 9.714 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.573 11.134 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.787 8.856 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.956 10.160 -2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.484 10.738 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.984 11.548 -5.347 1.00 0.00 H new ATOM 276 N GLY A 32 -9.170 7.391 -1.751 1.00 0.00 N ATOM 277 CA GLY A 32 -9.201 5.998 -2.006 1.00 0.00 C ATOM 278 C GLY A 32 -8.136 5.329 -1.220 1.00 0.00 C ATOM 279 O GLY A 32 -8.287 4.172 -0.771 1.00 0.00 O ATOM 0 H GLY A 32 -8.858 7.965 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.176 5.590 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.057 5.809 -3.070 1.00 0.00 H new ATOM 283 N VAL A 33 -7.058 6.067 -0.970 1.00 0.00 N ATOM 284 CA VAL A 33 -6.008 5.454 -0.212 1.00 0.00 C ATOM 285 C VAL A 33 -6.428 5.378 1.239 1.00 0.00 C ATOM 286 O VAL A 33 -6.279 4.364 1.832 1.00 0.00 O ATOM 287 CB VAL A 33 -4.592 6.075 -0.401 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.327 6.358 -1.863 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.321 7.288 0.477 1.00 0.00 C ATOM 0 H VAL A 33 -6.904 7.031 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.877 4.449 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.880 5.325 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.333 6.791 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.384 5.429 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.073 7.058 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.314 7.659 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.046 8.070 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.408 7.005 1.526 1.00 0.00 H new ATOM 299 N ARG A 34 -7.010 6.472 1.766 1.00 0.00 N ATOM 300 CA ARG A 34 -7.581 6.552 3.122 1.00 0.00 C ATOM 301 C ARG A 34 -8.501 5.394 3.365 1.00 0.00 C ATOM 302 O ARG A 34 -8.446 4.754 4.412 1.00 0.00 O ATOM 303 CB ARG A 34 -8.397 7.805 3.240 1.00 0.00 C ATOM 304 CG ARG A 34 -8.770 8.179 4.667 1.00 0.00 C ATOM 305 CD ARG A 34 -9.520 9.489 4.696 1.00 0.00 C ATOM 306 NE ARG A 34 -8.705 10.579 4.146 1.00 0.00 N ATOM 307 CZ ARG A 34 -9.176 11.591 3.416 1.00 0.00 C ATOM 308 NH1 ARG A 34 -10.462 11.647 3.086 1.00 0.00 N ATOM 309 NH2 ARG A 34 -8.343 12.526 2.985 1.00 0.00 N ATOM 0 H ARG A 34 -7.098 7.346 1.247 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.764 6.543 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.841 8.630 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.311 7.685 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.384 7.393 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.869 8.256 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.442 9.396 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.805 9.726 5.721 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.703 10.561 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.099 10.912 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.812 12.425 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.350 12.468 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.694 13.304 2.426 1.00 0.00 H new ATOM 323 N ASP A 35 -9.349 5.146 2.387 1.00 0.00 N ATOM 324 CA ASP A 35 -10.258 3.996 2.406 1.00 0.00 C ATOM 325 C ASP A 35 -9.483 2.781 2.615 1.00 0.00 C ATOM 326 O ASP A 35 -9.772 2.046 3.511 1.00 0.00 O ATOM 327 CB ASP A 35 -11.038 3.834 1.109 1.00 0.00 C ATOM 328 CG ASP A 35 -12.289 4.645 0.967 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.298 4.310 1.597 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.317 5.591 0.155 1.00 0.00 O ATOM 0 H ASP A 35 -9.435 5.729 1.554 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.972 4.170 3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.375 4.084 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.301 2.782 1.000 1.00 0.00 H new ATOM 335 N PHE A 36 -8.505 2.567 1.789 1.00 0.00 N ATOM 336 CA PHE A 36 -7.621 1.449 1.959 1.00 0.00 C ATOM 337 C PHE A 36 -7.087 1.408 3.360 1.00 0.00 C ATOM 338 O PHE A 36 -7.420 0.517 4.091 1.00 0.00 O ATOM 339 CB PHE A 36 -6.540 1.449 0.870 1.00 0.00 C ATOM 340 CG PHE A 36 -5.142 0.932 1.200 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.247 1.755 1.857 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.689 -0.309 0.760 1.00 0.00 C ATOM 343 CE1 PHE A 36 -2.954 1.353 2.082 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.385 -0.691 0.965 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.518 0.137 1.628 1.00 0.00 C ATOM 0 H PHE A 36 -8.296 3.156 0.983 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.172 0.518 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.918 0.859 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.434 2.474 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.569 2.728 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.369 -0.978 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.277 2.000 2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.042 -1.648 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.495 -0.168 1.792 1.00 0.00 H new ATOM 355 N ILE A 37 -6.458 2.477 3.734 1.00 0.00 N ATOM 356 CA ILE A 37 -5.757 2.636 5.012 1.00 0.00 C ATOM 357 C ILE A 37 -6.684 2.240 6.189 1.00 0.00 C ATOM 358 O ILE A 37 -6.267 1.592 7.139 1.00 0.00 O ATOM 359 CB ILE A 37 -5.370 4.137 5.302 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.706 4.959 4.157 1.00 0.00 C ATOM 361 CG2 ILE A 37 -4.582 4.296 6.589 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.438 4.425 3.592 1.00 0.00 C ATOM 0 H ILE A 37 -6.404 3.310 3.147 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.869 2.008 4.935 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.357 4.588 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.427 5.052 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.514 5.965 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.341 5.348 6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.178 3.936 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.660 3.719 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.082 5.090 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.687 4.360 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.614 3.433 3.176 1.00 0.00 H new ATOM 374 N GLU A 38 -7.931 2.631 6.085 1.00 0.00 N ATOM 375 CA GLU A 38 -8.851 2.587 7.183 1.00 0.00 C ATOM 376 C GLU A 38 -9.853 1.460 7.052 1.00 0.00 C ATOM 377 O GLU A 38 -9.894 0.511 7.850 1.00 0.00 O ATOM 378 CB GLU A 38 -9.546 3.953 7.244 1.00 0.00 C ATOM 379 CG GLU A 38 -10.810 3.995 8.038 1.00 0.00 C ATOM 380 CD GLU A 38 -11.435 5.345 8.047 1.00 0.00 C ATOM 381 OE1 GLU A 38 -10.874 6.269 8.660 1.00 0.00 O ATOM 382 OE2 GLU A 38 -12.509 5.501 7.449 1.00 0.00 O ATOM 0 H GLU A 38 -8.336 2.993 5.221 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.312 2.386 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.849 4.678 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.766 4.275 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.517 3.274 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.601 3.688 9.063 1.00 0.00 H new ATOM 389 N LYS A 39 -10.595 1.566 6.006 1.00 0.00 N ATOM 390 CA LYS A 39 -11.723 0.754 5.710 1.00 0.00 C ATOM 391 C LYS A 39 -11.284 -0.544 5.123 1.00 0.00 C ATOM 392 O LYS A 39 -11.874 -1.590 5.382 1.00 0.00 O ATOM 393 CB LYS A 39 -12.551 1.515 4.683 1.00 0.00 C ATOM 394 CG LYS A 39 -13.871 0.887 4.289 1.00 0.00 C ATOM 395 CD LYS A 39 -14.602 1.793 3.320 1.00 0.00 C ATOM 396 CE LYS A 39 -15.910 1.192 2.854 1.00 0.00 C ATOM 397 NZ LYS A 39 -16.624 2.102 1.940 1.00 0.00 N ATOM 0 H LYS A 39 -10.418 2.268 5.288 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.295 0.543 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.750 2.513 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.949 1.640 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.698 -0.087 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.483 0.718 5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.795 2.753 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.966 1.988 2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.718 0.245 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.539 0.973 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.516 1.661 1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.828 2.996 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.032 2.291 1.106 1.00 0.00 H new ATOM 411 N ARG A 40 -10.229 -0.504 4.367 1.00 0.00 N ATOM 412 CA ARG A 40 -9.861 -1.641 3.664 1.00 0.00 C ATOM 413 C ARG A 40 -8.754 -2.351 4.390 1.00 0.00 C ATOM 414 O ARG A 40 -8.590 -3.466 4.181 1.00 0.00 O ATOM 415 CB ARG A 40 -9.495 -1.258 2.226 1.00 0.00 C ATOM 416 CG ARG A 40 -9.113 -2.387 1.292 1.00 0.00 C ATOM 417 CD ARG A 40 -10.258 -3.334 0.954 1.00 0.00 C ATOM 418 NE ARG A 40 -9.831 -4.321 -0.067 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.533 -5.384 -0.495 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.759 -5.618 -0.029 1.00 0.00 N ATOM 421 NH2 ARG A 40 -10.001 -6.215 -1.411 1.00 0.00 N ATOM 0 H ARG A 40 -9.627 0.309 4.238 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.694 -2.341 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.342 -0.729 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.664 -0.553 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.723 -1.962 0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.304 -2.960 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.587 -3.853 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.111 -2.765 0.584 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.912 -4.179 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.172 -4.988 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.284 -6.427 -0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.066 -6.037 -1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.532 -7.022 -1.737 1.00 0.00 H new ATOM 435 N TYR A 41 -8.030 -1.657 5.286 1.00 0.00 N ATOM 436 CA TYR A 41 -6.886 -2.249 6.085 1.00 0.00 C ATOM 437 C TYR A 41 -7.075 -3.703 6.501 1.00 0.00 C ATOM 438 O TYR A 41 -6.275 -4.551 6.162 1.00 0.00 O ATOM 439 CB TYR A 41 -6.657 -1.443 7.353 1.00 0.00 C ATOM 440 CG TYR A 41 -5.543 -1.974 8.251 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.207 -1.726 7.975 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.848 -2.754 9.365 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.209 -2.238 8.788 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.870 -3.269 10.173 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.548 -3.014 9.887 1.00 0.00 C ATOM 446 OH TYR A 41 -2.558 -3.532 10.703 1.00 0.00 O ATOM 0 H TYR A 41 -8.202 -0.673 5.493 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.034 -2.210 5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.424 -0.415 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.585 -1.417 7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.941 -1.127 7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.883 -2.958 9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.172 -2.034 8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.134 -3.872 11.029 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.968 -4.050 11.427 1.00 0.00 H new ATOM 456 N VAL A 42 -8.078 -3.954 7.255 1.00 0.00 N ATOM 457 CA VAL A 42 -8.348 -5.277 7.757 1.00 0.00 C ATOM 458 C VAL A 42 -8.623 -6.260 6.602 1.00 0.00 C ATOM 459 O VAL A 42 -8.118 -7.384 6.582 1.00 0.00 O ATOM 460 CB VAL A 42 -9.486 -5.204 8.799 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.549 -4.222 8.327 1.00 0.00 C ATOM 462 CG2 VAL A 42 -10.074 -6.579 9.090 1.00 0.00 C ATOM 0 H VAL A 42 -8.752 -3.249 7.553 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.470 -5.673 8.268 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.073 -4.842 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.351 -4.172 9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.104 -3.234 8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.954 -4.556 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.871 -6.485 9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.478 -7.004 8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.294 -7.233 9.480 1.00 0.00 H new ATOM 472 N GLU A 43 -9.308 -5.772 5.604 1.00 0.00 N ATOM 473 CA GLU A 43 -9.613 -6.531 4.410 1.00 0.00 C ATOM 474 C GLU A 43 -8.345 -6.614 3.564 1.00 0.00 C ATOM 475 O GLU A 43 -8.203 -7.475 2.824 1.00 0.00 O ATOM 476 CB GLU A 43 -10.701 -5.803 3.612 1.00 0.00 C ATOM 477 CG GLU A 43 -11.895 -5.324 4.437 1.00 0.00 C ATOM 478 CD GLU A 43 -12.732 -6.439 4.989 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.396 -7.003 6.036 1.00 0.00 O ATOM 480 OE2 GLU A 43 -13.756 -6.788 4.361 1.00 0.00 O ATOM 0 H GLU A 43 -9.678 -4.822 5.592 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.963 -7.529 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.252 -4.942 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.063 -6.469 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.533 -4.711 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.522 -4.684 3.816 1.00 0.00 H new ATOM 487 N LEU A 44 -7.449 -5.682 3.721 1.00 0.00 N ATOM 488 CA LEU A 44 -6.189 -5.636 3.016 1.00 0.00 C ATOM 489 C LEU A 44 -5.275 -6.692 3.568 1.00 0.00 C ATOM 490 O LEU A 44 -4.677 -7.475 2.826 1.00 0.00 O ATOM 491 CB LEU A 44 -5.628 -4.217 3.210 1.00 0.00 C ATOM 492 CG LEU A 44 -4.153 -3.975 3.020 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.744 -4.113 1.599 1.00 0.00 C ATOM 494 CD2 LEU A 44 -3.755 -2.640 3.612 1.00 0.00 C ATOM 0 H LEU A 44 -7.576 -4.902 4.366 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.299 -5.839 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.159 -3.558 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.885 -3.898 4.220 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.610 -4.749 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.673 -3.930 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.970 -5.121 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.288 -3.389 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.687 -2.481 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.311 -1.843 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.980 -2.633 4.678 1.00 0.00 H new ATOM 506 N LYS A 45 -5.235 -6.737 4.859 1.00 0.00 N ATOM 507 CA LYS A 45 -4.443 -7.666 5.584 1.00 0.00 C ATOM 508 C LYS A 45 -4.984 -9.080 5.362 1.00 0.00 C ATOM 509 O LYS A 45 -4.214 -10.052 5.286 1.00 0.00 O ATOM 510 CB LYS A 45 -4.494 -7.285 7.062 1.00 0.00 C ATOM 511 CG LYS A 45 -3.643 -8.119 7.990 1.00 0.00 C ATOM 512 CD LYS A 45 -3.861 -7.678 9.425 1.00 0.00 C ATOM 513 CE LYS A 45 -2.987 -8.444 10.404 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.550 -8.170 10.206 1.00 0.00 N ATOM 0 H LYS A 45 -5.771 -6.106 5.454 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.408 -7.644 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.189 -6.243 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.529 -7.346 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.897 -9.173 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.591 -8.016 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.650 -6.612 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.909 -7.818 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.268 -8.178 11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.170 -9.513 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.006 -8.590 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.239 -8.584 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.392 -7.142 10.188 1.00 0.00 H new ATOM 528 N LYS A 46 -6.301 -9.191 5.237 1.00 0.00 N ATOM 529 CA LYS A 46 -6.916 -10.479 5.049 1.00 0.00 C ATOM 530 C LYS A 46 -6.963 -10.871 3.571 1.00 0.00 C ATOM 531 O LYS A 46 -6.826 -12.056 3.246 1.00 0.00 O ATOM 532 CB LYS A 46 -8.350 -10.488 5.612 1.00 0.00 C ATOM 533 CG LYS A 46 -9.420 -10.016 4.631 1.00 0.00 C ATOM 534 CD LYS A 46 -10.772 -9.908 5.274 1.00 0.00 C ATOM 535 CE LYS A 46 -11.823 -9.672 4.222 1.00 0.00 C ATOM 536 NZ LYS A 46 -13.167 -9.639 4.795 1.00 0.00 N ATOM 0 H LYS A 46 -6.951 -8.405 5.263 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.304 -11.203 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.593 -11.500 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.383 -9.854 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.135 -9.046 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.473 -10.710 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.996 -10.821 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.777 -9.091 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.622 -8.730 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.768 -10.459 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.697 -10.478 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.102 -9.634 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.660 -8.781 4.475 1.00 0.00 H new ATOM 550 N ALA A 47 -7.141 -9.879 2.663 1.00 0.00 N ATOM 551 CA ALA A 47 -7.391 -10.207 1.287 1.00 0.00 C ATOM 552 C ALA A 47 -6.153 -10.646 0.633 1.00 0.00 C ATOM 553 O ALA A 47 -6.171 -11.537 -0.214 1.00 0.00 O ATOM 554 CB ALA A 47 -7.985 -9.068 0.474 1.00 0.00 C ATOM 0 H ALA A 47 -7.113 -8.882 2.875 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.131 -11.007 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.143 -9.398 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.938 -8.768 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.300 -8.220 0.481 1.00 0.00 H new ATOM 560 N ASN A 48 -5.059 -10.053 1.050 1.00 0.00 N ATOM 561 CA ASN A 48 -3.808 -10.306 0.477 1.00 0.00 C ATOM 562 C ASN A 48 -2.915 -10.791 1.618 1.00 0.00 C ATOM 563 O ASN A 48 -2.232 -10.015 2.266 1.00 0.00 O ATOM 564 CB ASN A 48 -3.209 -9.035 -0.208 1.00 0.00 C ATOM 565 CG ASN A 48 -4.158 -8.257 -1.170 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.135 -8.795 -1.693 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.826 -6.988 -1.462 1.00 0.00 N ATOM 0 H ASN A 48 -5.039 -9.374 1.811 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.889 -11.051 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.876 -8.350 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.323 -9.334 -0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.386 -6.454 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.014 -6.559 -1.019 1.00 0.00 H new ATOM 574 N PRO A 49 -3.025 -12.083 1.961 1.00 0.00 N ATOM 575 CA PRO A 49 -2.267 -12.706 3.070 1.00 0.00 C ATOM 576 C PRO A 49 -0.817 -12.826 2.693 1.00 0.00 C ATOM 577 O PRO A 49 0.093 -12.668 3.500 1.00 0.00 O ATOM 578 CB PRO A 49 -2.914 -14.087 3.178 1.00 0.00 C ATOM 579 CG PRO A 49 -3.393 -14.348 1.801 1.00 0.00 C ATOM 580 CD PRO A 49 -3.914 -13.042 1.310 1.00 0.00 C ATOM 0 HA PRO A 49 -2.297 -12.142 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.199 -14.842 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.734 -14.092 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.585 -14.712 1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.173 -15.110 1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.865 -12.968 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.955 -12.888 1.594 1.00 0.00 H new ATOM 588 N ASP A 50 -0.647 -13.031 1.433 1.00 0.00 N ATOM 589 CA ASP A 50 0.642 -13.112 0.744 1.00 0.00 C ATOM 590 C ASP A 50 1.223 -11.676 0.555 1.00 0.00 C ATOM 591 O ASP A 50 2.127 -11.418 -0.264 1.00 0.00 O ATOM 592 CB ASP A 50 0.386 -13.820 -0.610 1.00 0.00 C ATOM 593 CG ASP A 50 1.608 -14.032 -1.474 1.00 0.00 C ATOM 594 OD1 ASP A 50 2.563 -14.701 -1.036 1.00 0.00 O ATOM 595 OD2 ASP A 50 1.610 -13.572 -2.633 1.00 0.00 O ATOM 0 H ASP A 50 -1.435 -13.157 0.798 1.00 0.00 H new ATOM 0 HA ASP A 50 1.377 -13.678 1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.071 -14.790 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.340 -13.235 -1.175 1.00 0.00 H new ATOM 600 N LEU A 51 0.720 -10.756 1.355 1.00 0.00 N ATOM 601 CA LEU A 51 1.108 -9.390 1.304 1.00 0.00 C ATOM 602 C LEU A 51 1.299 -8.855 2.768 1.00 0.00 C ATOM 603 O LEU A 51 0.320 -8.652 3.473 1.00 0.00 O ATOM 604 CB LEU A 51 -0.030 -8.589 0.614 1.00 0.00 C ATOM 605 CG LEU A 51 0.287 -7.207 0.016 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.954 -6.386 -0.206 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.300 -6.441 0.787 1.00 0.00 C ATOM 0 H LEU A 51 0.018 -10.957 2.067 1.00 0.00 H new ATOM 0 HA LEU A 51 2.041 -9.279 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.431 -9.210 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.828 -8.456 1.344 1.00 0.00 H new ATOM 0 HG LEU A 51 0.734 -7.416 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.680 -5.420 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.618 -6.909 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.465 -6.234 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.472 -5.478 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.939 -6.280 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.234 -7.002 0.819 1.00 0.00 H new ATOM 619 N PRO A 52 2.548 -8.774 3.266 1.00 0.00 N ATOM 620 CA PRO A 52 2.891 -8.038 4.513 1.00 0.00 C ATOM 621 C PRO A 52 2.299 -6.638 4.562 1.00 0.00 C ATOM 622 O PRO A 52 2.525 -5.868 3.654 1.00 0.00 O ATOM 623 CB PRO A 52 4.359 -7.836 4.359 1.00 0.00 C ATOM 624 CG PRO A 52 4.848 -9.005 3.603 1.00 0.00 C ATOM 625 CD PRO A 52 3.705 -9.506 2.762 1.00 0.00 C ATOM 0 HA PRO A 52 2.538 -8.580 5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.573 -6.909 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.848 -7.766 5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.695 -8.729 2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.195 -9.784 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.872 -9.308 1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.573 -10.583 2.868 1.00 0.00 H new ATOM 633 N ILE A 53 1.686 -6.286 5.668 1.00 0.00 N ATOM 634 CA ILE A 53 0.958 -5.010 5.793 1.00 0.00 C ATOM 635 C ILE A 53 1.530 -4.149 6.945 1.00 0.00 C ATOM 636 O ILE A 53 1.304 -4.454 8.126 1.00 0.00 O ATOM 637 CB ILE A 53 -0.567 -5.254 6.080 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.211 -6.198 5.044 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.339 -3.936 6.144 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.206 -5.691 3.618 1.00 0.00 C ATOM 0 H ILE A 53 1.668 -6.860 6.511 1.00 0.00 H new ATOM 0 HA ILE A 53 1.079 -4.487 4.844 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.625 -5.740 7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.689 -7.154 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.242 -6.388 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.391 -4.140 6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.932 -3.314 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.245 -3.413 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.681 -6.427 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.755 -4.751 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.178 -5.530 3.293 1.00 0.00 H new ATOM 652 N LEU A 54 2.291 -3.109 6.608 1.00 0.00 N ATOM 653 CA LEU A 54 2.839 -2.165 7.606 1.00 0.00 C ATOM 654 C LEU A 54 2.498 -0.718 7.202 1.00 0.00 C ATOM 655 O LEU A 54 2.175 -0.464 6.040 1.00 0.00 O ATOM 656 CB LEU A 54 4.379 -2.296 7.762 1.00 0.00 C ATOM 657 CG LEU A 54 4.965 -3.627 8.289 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.297 -4.059 9.578 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.938 -4.735 7.237 1.00 0.00 C ATOM 0 H LEU A 54 2.549 -2.890 5.646 1.00 0.00 H new ATOM 0 HA LEU A 54 2.382 -2.413 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.827 -2.101 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.712 -1.502 8.430 1.00 0.00 H new ATOM 0 HG LEU A 54 6.015 -3.439 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.735 -4.998 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.445 -3.293 10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.230 -4.198 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.360 -5.647 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.909 -4.920 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.526 -4.429 6.371 1.00 0.00 H new ATOM 671 N ILE A 55 2.576 0.221 8.156 1.00 0.00 N ATOM 672 CA ILE A 55 2.264 1.635 7.929 1.00 0.00 C ATOM 673 C ILE A 55 3.468 2.517 8.348 1.00 0.00 C ATOM 674 O ILE A 55 4.098 2.289 9.378 1.00 0.00 O ATOM 675 CB ILE A 55 0.960 2.133 8.712 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.334 1.405 8.271 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.754 3.641 8.573 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.485 -0.011 8.770 1.00 0.00 C ATOM 0 H ILE A 55 2.860 0.016 9.114 1.00 0.00 H new ATOM 0 HA ILE A 55 2.060 1.734 6.863 1.00 0.00 H new ATOM 0 HB ILE A 55 1.148 1.885 9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.191 1.985 8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.370 1.394 7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.142 3.938 9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.618 4.165 8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.638 3.897 7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.423 -0.428 8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.346 -0.615 8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.487 -0.014 9.860 1.00 0.00 H new ATOM 690 N ARG A 56 3.798 3.451 7.508 1.00 0.00 N ATOM 691 CA ARG A 56 4.840 4.448 7.723 1.00 0.00 C ATOM 692 C ARG A 56 4.209 5.841 7.735 1.00 0.00 C ATOM 693 O ARG A 56 3.049 6.019 7.346 1.00 0.00 O ATOM 694 CB ARG A 56 5.855 4.446 6.590 1.00 0.00 C ATOM 695 CG ARG A 56 6.679 3.187 6.377 1.00 0.00 C ATOM 696 CD ARG A 56 7.576 3.422 5.178 1.00 0.00 C ATOM 697 NE ARG A 56 8.618 2.416 4.955 1.00 0.00 N ATOM 698 CZ ARG A 56 9.829 2.727 4.438 1.00 0.00 C ATOM 699 NH1 ARG A 56 10.216 4.010 4.389 1.00 0.00 N ATOM 700 NH2 ARG A 56 10.679 1.770 4.077 1.00 0.00 N ATOM 0 H ARG A 56 3.334 3.556 6.606 1.00 0.00 H new ATOM 0 HA ARG A 56 5.331 4.207 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.322 4.658 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.545 5.273 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.274 2.965 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.029 2.329 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.952 3.475 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.055 4.395 5.291 1.00 0.00 H new ATOM 0 HE ARG A 56 8.423 1.445 5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.599 4.743 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.127 4.253 4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.421 0.790 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.589 2.016 3.688 1.00 0.00 H new ATOM 714 N GLU A 57 4.999 6.813 8.088 1.00 0.00 N ATOM 715 CA GLU A 57 4.570 8.212 8.204 1.00 0.00 C ATOM 716 C GLU A 57 4.987 9.052 6.987 1.00 0.00 C ATOM 717 O GLU A 57 5.752 8.582 6.153 1.00 0.00 O ATOM 718 CB GLU A 57 5.110 8.834 9.476 1.00 0.00 C ATOM 719 CG GLU A 57 4.627 8.168 10.746 1.00 0.00 C ATOM 720 CD GLU A 57 5.263 8.778 11.953 1.00 0.00 C ATOM 721 OE1 GLU A 57 4.825 9.856 12.387 1.00 0.00 O ATOM 722 OE2 GLU A 57 6.254 8.212 12.469 1.00 0.00 O ATOM 0 H GLU A 57 5.984 6.672 8.312 1.00 0.00 H new ATOM 0 HA GLU A 57 3.481 8.207 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.199 8.797 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.827 9.886 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.543 8.259 10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.856 7.103 10.711 1.00 0.00 H new ATOM 729 N CYS A 58 4.427 10.281 6.916 1.00 0.00 N ATOM 730 CA CYS A 58 4.601 11.296 5.822 1.00 0.00 C ATOM 731 C CYS A 58 5.801 11.127 4.849 1.00 0.00 C ATOM 732 O CYS A 58 5.713 10.347 3.875 1.00 0.00 O ATOM 733 CB CYS A 58 4.508 12.744 6.347 1.00 0.00 C ATOM 734 SG CYS A 58 2.843 13.300 6.860 1.00 0.00 S ATOM 0 H CYS A 58 3.808 10.621 7.652 1.00 0.00 H new ATOM 0 HA CYS A 58 3.744 11.074 5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.182 12.846 7.197 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.871 13.416 5.570 1.00 0.00 H new ATOM 739 N SER A 59 6.871 11.874 5.085 1.00 0.00 N ATOM 740 CA SER A 59 8.096 11.886 4.266 1.00 0.00 C ATOM 741 C SER A 59 7.987 12.470 2.793 1.00 0.00 C ATOM 742 O SER A 59 8.957 13.098 2.327 1.00 0.00 O ATOM 743 CB SER A 59 8.781 10.525 4.290 1.00 0.00 C ATOM 744 OG SER A 59 9.015 10.108 5.635 1.00 0.00 O ATOM 0 H SER A 59 6.921 12.514 5.878 1.00 0.00 H new ATOM 0 HA SER A 59 8.722 12.628 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.161 9.790 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.726 10.577 3.749 1.00 0.00 H new ATOM 0 HG SER A 59 9.591 9.315 5.636 1.00 0.00 H new ATOM 750 N ASP A 60 6.854 12.303 2.057 1.00 0.00 N ATOM 751 CA ASP A 60 6.797 12.818 0.672 1.00 0.00 C ATOM 752 C ASP A 60 5.648 13.793 0.553 1.00 0.00 C ATOM 753 O ASP A 60 5.747 14.941 0.988 1.00 0.00 O ATOM 754 CB ASP A 60 6.628 11.693 -0.385 1.00 0.00 C ATOM 755 CG ASP A 60 7.711 10.638 -0.389 1.00 0.00 C ATOM 756 OD1 ASP A 60 8.764 10.843 -1.022 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.497 9.554 0.186 1.00 0.00 O ATOM 0 H ASP A 60 6.008 11.838 2.385 1.00 0.00 H new ATOM 0 HA ASP A 60 7.749 13.308 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.668 11.203 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.586 12.150 -1.374 1.00 0.00 H new ATOM 762 N VAL A 61 4.543 13.332 -0.009 1.00 0.00 N ATOM 763 CA VAL A 61 3.323 14.089 -0.021 1.00 0.00 C ATOM 764 C VAL A 61 2.286 13.345 0.798 1.00 0.00 C ATOM 765 O VAL A 61 1.874 13.825 1.845 1.00 0.00 O ATOM 766 CB VAL A 61 2.765 14.371 -1.453 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.433 15.107 -1.392 1.00 0.00 C ATOM 768 CG2 VAL A 61 3.749 15.176 -2.273 1.00 0.00 C ATOM 0 H VAL A 61 4.476 12.423 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 61 3.546 15.066 0.408 1.00 0.00 H new ATOM 0 HB VAL A 61 2.611 13.404 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.071 15.289 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.707 14.501 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.567 16.059 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.334 15.357 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.940 16.129 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.683 14.623 -2.366 1.00 0.00 H new ATOM 778 N GLN A 62 1.958 12.109 0.422 1.00 0.00 N ATOM 779 CA GLN A 62 0.857 11.446 1.134 1.00 0.00 C ATOM 780 C GLN A 62 0.722 9.904 0.899 1.00 0.00 C ATOM 781 O GLN A 62 1.106 9.156 1.767 1.00 0.00 O ATOM 782 CB GLN A 62 -0.490 12.199 0.923 1.00 0.00 C ATOM 783 CG GLN A 62 -1.579 11.930 1.975 1.00 0.00 C ATOM 784 CD GLN A 62 -2.350 10.634 1.810 1.00 0.00 C ATOM 785 OE1 GLN A 62 -2.779 10.027 2.772 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.597 10.250 0.603 1.00 0.00 N ATOM 0 H GLN A 62 2.403 11.571 -0.322 1.00 0.00 H new ATOM 0 HA GLN A 62 1.133 11.515 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.287 13.270 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.884 11.932 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.114 11.931 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.288 12.758 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.225 10.778 -0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.165 9.419 0.438 1.00 0.00 H new ATOM 795 N PRO A 63 0.259 9.413 -0.287 1.00 0.00 N ATOM 796 CA PRO A 63 -0.130 7.995 -0.481 1.00 0.00 C ATOM 797 C PRO A 63 0.932 7.131 -1.131 1.00 0.00 C ATOM 798 O PRO A 63 0.708 6.595 -2.197 1.00 0.00 O ATOM 799 CB PRO A 63 -1.268 8.133 -1.483 1.00 0.00 C ATOM 800 CG PRO A 63 -0.949 9.364 -2.285 1.00 0.00 C ATOM 801 CD PRO A 63 0.110 10.145 -1.545 1.00 0.00 C ATOM 0 HA PRO A 63 -0.346 7.518 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.336 7.254 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.228 8.233 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.595 9.090 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.844 9.971 -2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.046 10.179 -2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.198 11.177 -1.375 1.00 0.00 H new ATOM 809 N LYS A 64 2.021 6.934 -0.511 1.00 0.00 N ATOM 810 CA LYS A 64 3.073 6.175 -1.167 1.00 0.00 C ATOM 811 C LYS A 64 3.015 4.781 -0.649 1.00 0.00 C ATOM 812 O LYS A 64 2.635 4.559 0.486 1.00 0.00 O ATOM 813 CB LYS A 64 4.503 6.728 -0.879 1.00 0.00 C ATOM 814 CG LYS A 64 4.780 8.214 -1.171 1.00 0.00 C ATOM 815 CD LYS A 64 4.030 9.142 -0.245 1.00 0.00 C ATOM 816 CE LYS A 64 4.483 9.016 1.198 1.00 0.00 C ATOM 817 NZ LYS A 64 3.723 9.888 2.126 1.00 0.00 N ATOM 0 H LYS A 64 2.234 7.266 0.429 1.00 0.00 H new ATOM 0 HA LYS A 64 2.905 6.241 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.724 6.549 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.212 6.137 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.849 8.404 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.503 8.435 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.168 10.171 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.963 8.928 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.378 7.979 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.543 9.263 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.229 9.955 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.629 10.837 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.778 9.485 2.286 1.00 0.00 H new ATOM 831 N LEU A 65 3.376 3.858 -1.449 1.00 0.00 N ATOM 832 CA LEU A 65 3.406 2.499 -1.004 1.00 0.00 C ATOM 833 C LEU A 65 4.759 1.957 -1.117 1.00 0.00 C ATOM 834 O LEU A 65 5.313 1.914 -2.205 1.00 0.00 O ATOM 835 CB LEU A 65 2.448 1.652 -1.788 1.00 0.00 C ATOM 836 CG LEU A 65 1.103 1.305 -1.079 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.353 0.434 0.132 1.00 0.00 C ATOM 838 CD2 LEU A 65 0.348 2.550 -0.645 1.00 0.00 C ATOM 0 H LEU A 65 3.658 4.004 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 65 3.101 2.482 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.221 2.165 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.949 0.720 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 65 0.492 0.769 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.404 0.201 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.838 -0.491 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.997 0.963 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.582 2.260 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.961 3.123 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.123 3.162 -1.518 1.00 0.00 H new ATOM 850 N TRP A 66 5.318 1.598 -0.016 1.00 0.00 N ATOM 851 CA TRP A 66 6.584 0.981 -0.027 1.00 0.00 C ATOM 852 C TRP A 66 6.381 -0.508 -0.211 1.00 0.00 C ATOM 853 O TRP A 66 5.560 -1.111 0.464 1.00 0.00 O ATOM 854 CB TRP A 66 7.407 1.253 1.271 1.00 0.00 C ATOM 855 CG TRP A 66 8.582 0.315 1.407 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.649 -0.850 2.135 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.806 0.434 0.737 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.857 -1.459 1.929 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.592 -0.675 1.069 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.312 1.378 -0.118 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.862 -0.842 0.546 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.549 1.211 -0.631 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.310 0.130 -0.312 1.00 0.00 C ATOM 0 H TRP A 66 4.909 1.725 0.910 1.00 0.00 H new ATOM 0 HA TRP A 66 7.162 1.405 -0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.765 2.283 1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.757 1.148 2.140 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.865 -1.228 2.774 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.160 -2.341 2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.726 2.247 -0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.471 -1.696 0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.943 1.952 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.294 0.034 -0.746 1.00 0.00 H new ATOM 874 N ALA A 67 7.130 -1.062 -1.087 1.00 0.00 N ATOM 875 CA ALA A 67 7.121 -2.429 -1.378 1.00 0.00 C ATOM 876 C ALA A 67 8.547 -2.914 -1.463 1.00 0.00 C ATOM 877 O ALA A 67 9.406 -2.231 -2.029 1.00 0.00 O ATOM 878 CB ALA A 67 6.438 -2.673 -2.709 1.00 0.00 C ATOM 0 H ALA A 67 7.801 -0.537 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 67 6.581 -2.963 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.436 -3.741 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.411 -2.310 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.975 -2.143 -3.496 1.00 0.00 H new ATOM 884 N ARG A 68 8.812 -4.038 -0.878 1.00 0.00 N ATOM 885 CA ARG A 68 10.046 -4.692 -1.049 1.00 0.00 C ATOM 886 C ARG A 68 9.645 -6.105 -1.287 1.00 0.00 C ATOM 887 O ARG A 68 9.239 -6.850 -0.382 1.00 0.00 O ATOM 888 CB ARG A 68 11.005 -4.583 0.135 1.00 0.00 C ATOM 889 CG ARG A 68 12.450 -4.869 -0.263 1.00 0.00 C ATOM 890 CD ARG A 68 13.120 -3.620 -0.849 1.00 0.00 C ATOM 891 NE ARG A 68 14.362 -3.910 -1.596 1.00 0.00 N ATOM 892 CZ ARG A 68 15.262 -2.988 -1.956 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.292 -1.827 -1.330 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.201 -3.267 -2.856 1.00 0.00 N ATOM 0 H ARG A 68 8.161 -4.525 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 68 10.616 -4.237 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.939 -3.582 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.699 -5.283 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.009 -5.210 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.476 -5.676 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.416 -3.118 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.346 -2.926 -0.040 1.00 0.00 H new ATOM 0 HE ARG A 68 14.545 -4.879 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.631 -1.637 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.976 -1.120 -1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.241 -4.193 -3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.881 -2.554 -3.121 1.00 0.00 H new ATOM 908 N TYR A 69 9.584 -6.392 -2.504 1.00 0.00 N ATOM 909 CA TYR A 69 9.114 -7.666 -2.996 1.00 0.00 C ATOM 910 C TYR A 69 10.130 -8.770 -2.706 1.00 0.00 C ATOM 911 O TYR A 69 11.284 -8.494 -2.450 1.00 0.00 O ATOM 912 CB TYR A 69 8.879 -7.604 -4.512 1.00 0.00 C ATOM 913 CG TYR A 69 8.044 -6.435 -5.001 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.680 -6.436 -4.871 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.639 -5.334 -5.613 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.920 -5.385 -5.329 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.882 -4.273 -6.074 1.00 0.00 C ATOM 918 CZ TYR A 69 6.515 -4.309 -5.927 1.00 0.00 C ATOM 919 OH TYR A 69 5.738 -3.270 -6.370 1.00 0.00 O ATOM 0 H TYR A 69 9.862 -5.746 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 69 8.178 -7.890 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.848 -7.568 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.394 -8.529 -4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.193 -7.277 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.712 -5.309 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.846 -5.410 -5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.359 -3.426 -6.544 1.00 0.00 H new ATOM 0 HH TYR A 69 6.289 -2.464 -6.458 1.00 0.00 H new ATOM 929 N ALA A 70 9.686 -10.021 -2.774 1.00 0.00 N ATOM 930 CA ALA A 70 10.595 -11.165 -2.613 1.00 0.00 C ATOM 931 C ALA A 70 11.173 -11.548 -3.942 1.00 0.00 C ATOM 932 O ALA A 70 12.010 -12.437 -4.048 1.00 0.00 O ATOM 933 CB ALA A 70 9.926 -12.336 -1.919 1.00 0.00 C ATOM 0 H ALA A 70 8.712 -10.274 -2.938 1.00 0.00 H new ATOM 0 HA ALA A 70 11.413 -10.862 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.637 -13.157 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.591 -12.029 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.069 -12.665 -2.506 1.00 0.00 H new ATOM 939 N PHE A 71 10.709 -10.863 -4.968 1.00 0.00 N ATOM 940 CA PHE A 71 11.373 -10.909 -6.240 1.00 0.00 C ATOM 941 C PHE A 71 12.651 -10.095 -6.034 1.00 0.00 C ATOM 942 O PHE A 71 13.683 -10.307 -6.673 1.00 0.00 O ATOM 943 CB PHE A 71 10.494 -10.268 -7.312 1.00 0.00 C ATOM 944 CG PHE A 71 9.109 -10.845 -7.376 1.00 0.00 C ATOM 945 CD1 PHE A 71 8.894 -12.115 -7.875 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.022 -10.112 -6.933 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.626 -12.644 -7.929 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.752 -10.633 -6.986 1.00 0.00 C ATOM 949 CZ PHE A 71 6.553 -11.902 -7.483 1.00 0.00 C ATOM 0 H PHE A 71 9.878 -10.272 -4.939 1.00 0.00 H new ATOM 0 HA PHE A 71 11.582 -11.927 -6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.424 -9.197 -7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.974 -10.388 -8.283 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.732 -12.699 -8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.174 -9.117 -6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.471 -13.639 -8.320 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.912 -10.049 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.556 -12.316 -7.523 1.00 0.00 H new ATOM 959 N GLY A 72 12.549 -9.200 -5.050 1.00 0.00 N ATOM 960 CA GLY A 72 13.642 -8.434 -4.569 1.00 0.00 C ATOM 961 C GLY A 72 13.738 -7.043 -5.154 1.00 0.00 C ATOM 962 O GLY A 72 14.770 -6.393 -5.048 1.00 0.00 O ATOM 0 H GLY A 72 11.671 -9.001 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.564 -8.354 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.567 -8.969 -4.783 1.00 0.00 H new ATOM 966 N GLN A 73 12.671 -6.578 -5.783 1.00 0.00 N ATOM 967 CA GLN A 73 12.629 -5.197 -6.248 1.00 0.00 C ATOM 968 C GLN A 73 12.028 -4.326 -5.153 1.00 0.00 C ATOM 969 O GLN A 73 11.362 -4.844 -4.220 1.00 0.00 O ATOM 970 CB GLN A 73 11.789 -5.001 -7.533 1.00 0.00 C ATOM 971 CG GLN A 73 12.277 -5.704 -8.795 1.00 0.00 C ATOM 972 CD GLN A 73 11.961 -7.176 -8.833 1.00 0.00 C ATOM 973 OE1 GLN A 73 12.739 -8.015 -8.404 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.808 -7.499 -9.343 1.00 0.00 N ATOM 0 H GLN A 73 11.833 -7.125 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 73 13.656 -4.916 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.773 -5.340 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.733 -3.932 -7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.828 -5.223 -9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.356 -5.571 -8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.183 -6.772 -9.692 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.529 -8.479 -9.394 1.00 0.00 H new ATOM 983 N GLU A 74 12.232 -3.036 -5.245 1.00 0.00 N ATOM 984 CA GLU A 74 11.639 -2.138 -4.294 1.00 0.00 C ATOM 985 C GLU A 74 10.597 -1.289 -4.981 1.00 0.00 C ATOM 986 O GLU A 74 10.451 -1.340 -6.209 1.00 0.00 O ATOM 987 CB GLU A 74 12.674 -1.253 -3.554 1.00 0.00 C ATOM 988 CG GLU A 74 13.322 -0.118 -4.352 1.00 0.00 C ATOM 989 CD GLU A 74 14.126 -0.581 -5.528 1.00 0.00 C ATOM 990 OE1 GLU A 74 15.216 -1.144 -5.332 1.00 0.00 O ATOM 991 OE2 GLU A 74 13.674 -0.402 -6.668 1.00 0.00 O ATOM 0 H GLU A 74 12.800 -2.589 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 74 11.169 -2.750 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.184 -0.817 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.468 -1.901 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.542 0.558 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.967 0.457 -3.688 1.00 0.00 H new ATOM 998 N THR A 75 9.857 -0.577 -4.202 1.00 0.00 N ATOM 999 CA THR A 75 8.846 0.321 -4.637 1.00 0.00 C ATOM 1000 C THR A 75 8.482 1.195 -3.463 1.00 0.00 C ATOM 1001 O THR A 75 8.457 0.731 -2.375 1.00 0.00 O ATOM 1002 CB THR A 75 7.622 -0.480 -5.170 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.835 -0.883 -6.533 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.283 0.218 -4.991 1.00 0.00 C ATOM 0 H THR A 75 9.948 -0.609 -3.187 1.00 0.00 H new ATOM 0 HA THR A 75 9.195 0.948 -5.457 1.00 0.00 H new ATOM 0 HB THR A 75 7.553 -1.369 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.796 -0.988 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.488 -0.412 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.105 0.398 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.294 1.169 -5.524 1.00 0.00 H new ATOM 1012 N ASN A 76 8.375 2.444 -3.680 1.00 0.00 N ATOM 1013 CA ASN A 76 7.919 3.391 -2.671 1.00 0.00 C ATOM 1014 C ASN A 76 7.137 4.474 -3.369 1.00 0.00 C ATOM 1015 O ASN A 76 7.701 5.473 -3.812 1.00 0.00 O ATOM 1016 CB ASN A 76 9.106 3.947 -1.803 1.00 0.00 C ATOM 1017 CG ASN A 76 10.366 4.341 -2.600 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.494 5.479 -3.062 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.354 3.432 -2.696 1.00 0.00 N ATOM 0 H ASN A 76 8.600 2.876 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 76 7.267 2.890 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.756 4.819 -1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.382 3.193 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.230 3.678 -3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.227 2.498 -2.307 1.00 0.00 H new ATOM 1026 N VAL A 77 5.816 4.291 -3.517 1.00 0.00 N ATOM 1027 CA VAL A 77 5.154 5.221 -4.467 1.00 0.00 C ATOM 1028 C VAL A 77 3.731 5.697 -4.254 1.00 0.00 C ATOM 1029 O VAL A 77 2.830 4.925 -3.963 1.00 0.00 O ATOM 1030 CB VAL A 77 5.386 4.745 -5.881 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.896 3.320 -6.111 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.935 5.691 -6.981 1.00 0.00 C ATOM 0 H VAL A 77 5.232 3.594 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 77 5.661 6.157 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 77 6.473 4.741 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.089 3.031 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.423 2.641 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.825 3.267 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.150 5.248 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.863 5.868 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.468 6.637 -6.888 1.00 0.00 H new ATOM 1042 N PRO A 78 3.585 7.049 -4.372 1.00 0.00 N ATOM 1043 CA PRO A 78 2.326 7.783 -4.348 1.00 0.00 C ATOM 1044 C PRO A 78 1.376 7.252 -5.358 1.00 0.00 C ATOM 1045 O PRO A 78 1.535 7.429 -6.572 1.00 0.00 O ATOM 1046 CB PRO A 78 2.716 9.217 -4.689 1.00 0.00 C ATOM 1047 CG PRO A 78 4.145 9.311 -4.326 1.00 0.00 C ATOM 1048 CD PRO A 78 4.719 7.944 -4.515 1.00 0.00 C ATOM 0 HA PRO A 78 1.824 7.700 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.561 9.429 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.117 9.935 -4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.658 10.038 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.263 9.642 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.184 7.841 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.489 7.731 -3.773 1.00 0.00 H new ATOM 1056 N LEU A 79 0.427 6.579 -4.855 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.563 5.945 -5.613 1.00 0.00 C ATOM 1058 C LEU A 79 -1.920 6.641 -5.439 1.00 0.00 C ATOM 1059 O LEU A 79 -2.994 6.044 -5.502 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.513 4.467 -5.279 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.557 3.977 -3.824 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.766 4.467 -3.054 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.547 2.467 -3.861 1.00 0.00 C ATOM 0 H LEU A 79 0.313 6.448 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.387 6.029 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.347 3.995 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.402 4.072 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 79 0.308 4.382 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.729 4.081 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.765 5.557 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.675 4.116 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.577 2.078 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.417 2.111 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.361 2.121 -4.355 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.790 7.946 -5.309 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.860 8.974 -5.141 1.00 0.00 C ATOM 1077 C ASN A 80 -4.157 8.752 -5.961 1.00 0.00 C ATOM 1078 O ASN A 80 -5.269 9.060 -5.492 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.216 10.351 -5.481 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.161 11.542 -5.653 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -2.941 12.376 -6.538 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.112 11.706 -4.782 1.00 0.00 N ATOM 0 H ASN A 80 -0.865 8.376 -5.316 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.212 8.911 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.505 10.595 -4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.644 10.238 -6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.699 12.539 -4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.271 11.001 -4.062 1.00 0.00 H new ATOM 1089 N ASN A 81 -4.028 8.178 -7.097 1.00 0.00 N ATOM 1090 CA ASN A 81 -5.150 8.092 -8.055 1.00 0.00 C ATOM 1091 C ASN A 81 -5.902 6.766 -8.030 1.00 0.00 C ATOM 1092 O ASN A 81 -6.611 6.445 -8.984 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.670 8.380 -9.481 1.00 0.00 C ATOM 1094 CG ASN A 81 -4.097 9.764 -9.647 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.817 10.717 -9.955 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.808 9.889 -9.457 1.00 0.00 N ATOM 0 H ASN A 81 -3.163 7.746 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.858 8.854 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.914 7.645 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.505 8.254 -10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.363 10.801 -9.563 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.249 9.075 -9.203 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.802 6.012 -6.969 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.542 4.780 -6.889 1.00 0.00 C ATOM 1105 C PHE A 82 -7.391 4.755 -5.645 1.00 0.00 C ATOM 1106 O PHE A 82 -7.049 5.354 -4.608 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.632 3.542 -6.959 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.797 3.439 -8.207 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.340 2.931 -9.375 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.469 3.841 -8.208 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.578 2.830 -10.520 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.703 3.741 -9.350 1.00 0.00 C ATOM 1113 CZ PHE A 82 -3.257 3.233 -10.509 1.00 0.00 C ATOM 0 H PHE A 82 -5.223 6.224 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.194 4.739 -7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.968 3.548 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.252 2.649 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.371 2.610 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.030 4.237 -7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.014 2.436 -11.426 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.671 4.059 -9.338 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.659 3.151 -11.404 1.00 0.00 H new ATOM 1123 N SER A 83 -8.511 4.138 -5.791 1.00 0.00 N ATOM 1124 CA SER A 83 -9.474 3.950 -4.742 1.00 0.00 C ATOM 1125 C SER A 83 -9.122 2.696 -3.904 1.00 0.00 C ATOM 1126 O SER A 83 -8.218 1.938 -4.279 1.00 0.00 O ATOM 1127 CB SER A 83 -10.841 3.813 -5.394 1.00 0.00 C ATOM 1128 OG SER A 83 -11.124 4.949 -6.211 1.00 0.00 O ATOM 0 H SER A 83 -8.801 3.730 -6.680 1.00 0.00 H new ATOM 0 HA SER A 83 -9.473 4.800 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.872 2.907 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.608 3.711 -4.626 1.00 0.00 H new ATOM 0 HG SER A 83 -12.006 4.843 -6.624 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.863 2.483 -2.810 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.639 1.402 -1.831 1.00 0.00 C ATOM 1136 C ALA A 84 -9.386 0.006 -2.476 1.00 0.00 C ATOM 1137 O ALA A 84 -8.329 -0.660 -2.246 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.850 1.313 -0.932 1.00 0.00 C ATOM 0 H ALA A 84 -10.660 3.073 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.734 1.656 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.703 0.518 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.989 2.262 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.733 1.095 -1.532 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.324 -0.422 -3.306 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.265 -1.757 -3.923 1.00 0.00 C ATOM 1146 C ASP A 85 -9.184 -1.794 -4.956 1.00 0.00 C ATOM 1147 O ASP A 85 -8.521 -2.805 -5.139 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.595 -2.155 -4.585 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.762 -2.157 -3.636 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -12.933 -3.129 -2.875 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.530 -1.168 -3.635 1.00 0.00 O ATOM 0 H ASP A 85 -11.140 0.129 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.057 -2.468 -3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.804 -1.467 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.491 -3.148 -5.022 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.982 -0.671 -5.604 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.977 -0.559 -6.640 1.00 0.00 C ATOM 1158 C GLN A 86 -6.620 -0.701 -6.062 1.00 0.00 C ATOM 1159 O GLN A 86 -5.871 -1.525 -6.520 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.110 0.748 -7.412 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.444 0.895 -8.103 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.696 -0.190 -9.136 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -10.837 -0.595 -9.359 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.656 -0.635 -9.799 1.00 0.00 N ATOM 0 H GLN A 86 -9.505 0.187 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.136 -1.370 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.969 1.584 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.314 0.807 -8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.239 0.872 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.491 1.870 -8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.725 -0.277 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.778 -1.340 -10.526 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.317 0.058 -5.032 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.019 -0.053 -4.410 1.00 0.00 C ATOM 1175 C VAL A 87 -4.800 -1.449 -3.846 1.00 0.00 C ATOM 1176 O VAL A 87 -3.749 -2.000 -4.011 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.719 1.040 -3.339 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.609 2.399 -3.967 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.776 1.082 -2.294 1.00 0.00 C ATOM 0 H VAL A 87 -6.941 0.748 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.300 0.125 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.768 0.773 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.400 3.140 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.801 2.398 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.547 2.647 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.535 1.855 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.737 1.307 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.832 0.115 -1.794 1.00 0.00 H new ATOM 1189 N THR A 88 -5.818 -2.053 -3.250 1.00 0.00 N ATOM 1190 CA THR A 88 -5.624 -3.389 -2.705 1.00 0.00 C ATOM 1191 C THR A 88 -5.427 -4.485 -3.750 1.00 0.00 C ATOM 1192 O THR A 88 -4.475 -5.300 -3.666 1.00 0.00 O ATOM 1193 CB THR A 88 -6.659 -3.765 -1.644 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.980 -3.389 -2.060 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.333 -3.087 -0.355 1.00 0.00 C ATOM 0 H THR A 88 -6.752 -1.659 -3.134 1.00 0.00 H new ATOM 0 HA THR A 88 -4.665 -3.324 -2.191 1.00 0.00 H new ATOM 0 HB THR A 88 -6.631 -4.846 -1.509 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.088 -2.419 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.074 -3.359 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.344 -3.400 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.342 -2.007 -0.500 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.250 -4.472 -4.729 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.204 -5.483 -5.765 1.00 0.00 C ATOM 1205 C ARG A 89 -5.022 -5.255 -6.689 1.00 0.00 C ATOM 1206 O ARG A 89 -4.325 -6.207 -7.065 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.516 -5.555 -6.540 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.546 -6.661 -7.572 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.890 -6.749 -8.238 1.00 0.00 C ATOM 1210 NE ARG A 89 -8.938 -7.824 -9.223 1.00 0.00 N ATOM 1211 CZ ARG A 89 -10.053 -8.378 -9.691 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -11.233 -8.074 -9.156 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -9.986 -9.274 -10.671 1.00 0.00 N ATOM 0 H ARG A 89 -6.980 -3.771 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.068 -6.450 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.336 -5.702 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.689 -4.600 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.777 -6.482 -8.323 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.311 -7.613 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.659 -6.913 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.117 -5.800 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.050 -8.177 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.287 -7.412 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.084 -8.503 -9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.081 -9.535 -11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.840 -9.700 -11.032 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.767 -4.001 -7.035 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.611 -3.675 -7.862 1.00 0.00 C ATOM 1229 C ALA A 90 -2.348 -3.984 -7.113 1.00 0.00 C ATOM 1230 O ALA A 90 -1.371 -4.383 -7.737 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.621 -2.226 -8.333 1.00 0.00 C ATOM 0 H ALA A 90 -5.336 -3.200 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.661 -4.293 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.739 -2.036 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.519 -2.042 -8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.613 -1.562 -7.468 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.366 -3.807 -5.764 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.238 -4.223 -4.931 1.00 0.00 C ATOM 1239 C LEU A 91 -0.985 -5.667 -5.135 1.00 0.00 C ATOM 1240 O LEU A 91 0.071 -6.041 -5.554 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.445 -3.984 -3.411 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.648 -2.813 -2.773 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -0.809 -1.510 -3.537 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.055 -2.630 -1.319 1.00 0.00 C ATOM 0 H LEU A 91 -3.141 -3.386 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.395 -3.606 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.506 -3.808 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.183 -4.901 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 91 0.408 -3.080 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.231 -0.727 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.451 -1.640 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.861 -1.227 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.489 -1.806 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.121 -2.407 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.847 -3.546 -0.765 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.992 -6.469 -4.912 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.836 -7.930 -4.960 1.00 0.00 C ATOM 1258 C GLU A 92 -1.348 -8.353 -6.347 1.00 0.00 C ATOM 1259 O GLU A 92 -0.456 -9.185 -6.473 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.164 -8.580 -4.546 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.125 -9.997 -3.979 1.00 0.00 C ATOM 1262 CD GLU A 92 -2.727 -11.063 -4.940 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -3.381 -11.210 -5.995 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -1.794 -11.816 -4.625 1.00 0.00 O ATOM 0 H GLU A 92 -2.937 -6.152 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.077 -8.272 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.633 -7.936 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.818 -8.588 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.432 -10.014 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.112 -10.239 -3.584 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.884 -7.716 -7.348 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.446 -7.899 -8.713 1.00 0.00 C ATOM 1273 C ASN A 93 0.065 -7.625 -8.845 1.00 0.00 C ATOM 1274 O ASN A 93 0.873 -8.559 -9.154 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.290 -7.000 -9.634 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.522 -7.711 -10.161 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.491 -8.330 -11.225 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.608 -7.644 -9.435 1.00 0.00 N ATOM 0 H ASN A 93 -2.646 -7.046 -7.244 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.596 -8.935 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.594 -6.107 -9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.679 -6.667 -10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.459 -8.112 -9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.604 -7.124 -8.558 1.00 0.00 H new ATOM 1285 N VAL A 94 0.477 -6.397 -8.521 1.00 0.00 N ATOM 1286 CA VAL A 94 1.884 -6.029 -8.599 1.00 0.00 C ATOM 1287 C VAL A 94 2.755 -6.823 -7.731 1.00 0.00 C ATOM 1288 O VAL A 94 3.789 -7.285 -8.169 1.00 0.00 O ATOM 1289 CB VAL A 94 2.230 -4.538 -8.395 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.921 -3.710 -9.618 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.582 -3.922 -7.168 1.00 0.00 C ATOM 0 H VAL A 94 -0.141 -5.650 -8.205 1.00 0.00 H new ATOM 0 HA VAL A 94 2.082 -6.258 -9.646 1.00 0.00 H new ATOM 0 HB VAL A 94 3.307 -4.524 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.181 -2.669 -9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.501 -4.080 -10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.858 -3.783 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.871 -2.874 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.498 -3.994 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.911 -4.455 -6.276 1.00 0.00 H new ATOM 1301 N LEU A 95 2.358 -7.051 -6.565 1.00 0.00 N ATOM 1302 CA LEU A 95 3.293 -7.597 -5.670 1.00 0.00 C ATOM 1303 C LEU A 95 3.317 -9.061 -5.579 1.00 0.00 C ATOM 1304 O LEU A 95 4.230 -9.620 -4.985 1.00 0.00 O ATOM 1305 CB LEU A 95 3.262 -6.910 -4.343 1.00 0.00 C ATOM 1306 CG LEU A 95 1.926 -6.882 -3.606 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.545 -8.211 -2.976 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.880 -5.750 -2.622 1.00 0.00 C ATOM 0 H LEU A 95 1.421 -6.879 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 95 4.261 -7.381 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.995 -7.391 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.591 -5.881 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 95 1.161 -6.703 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.584 -8.112 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.470 -8.973 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.307 -8.503 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.918 -5.752 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.680 -5.870 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.009 -4.804 -3.149 1.00 0.00 H new ATOM 1320 N SER A 96 2.358 -9.685 -6.073 1.00 0.00 N ATOM 1321 CA SER A 96 2.438 -11.077 -6.069 1.00 0.00 C ATOM 1322 C SER A 96 2.944 -11.581 -7.395 1.00 0.00 C ATOM 1323 O SER A 96 3.442 -12.702 -7.474 1.00 0.00 O ATOM 1324 CB SER A 96 1.139 -11.710 -5.671 1.00 0.00 C ATOM 1325 OG SER A 96 0.740 -11.225 -4.394 1.00 0.00 O ATOM 0 H SER A 96 1.517 -9.277 -6.481 1.00 0.00 H new ATOM 0 HA SER A 96 3.161 -11.374 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.372 -11.485 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.246 -12.794 -5.642 1.00 0.00 H new ATOM 0 HG SER A 96 -0.235 -11.286 -4.311 1.00 0.00 H new ATOM 1331 N GLY A 97 2.831 -10.770 -8.458 1.00 0.00 N ATOM 1332 CA GLY A 97 3.391 -11.248 -9.681 1.00 0.00 C ATOM 1333 C GLY A 97 3.772 -10.197 -10.692 1.00 0.00 C ATOM 1334 O GLY A 97 4.201 -10.560 -11.790 1.00 0.00 O ATOM 0 H GLY A 97 2.388 -9.852 -8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.279 -11.835 -9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.674 -11.926 -10.145 1.00 0.00 H new ATOM 1338 N LYS A 98 3.669 -8.909 -10.381 1.00 0.00 N ATOM 1339 CA LYS A 98 3.947 -7.953 -11.469 1.00 0.00 C ATOM 1340 C LYS A 98 5.349 -7.420 -11.317 1.00 0.00 C ATOM 1341 O LYS A 98 6.253 -7.743 -12.093 1.00 0.00 O ATOM 1342 CB LYS A 98 2.863 -6.852 -11.523 1.00 0.00 C ATOM 1343 CG LYS A 98 2.665 -6.117 -12.856 1.00 0.00 C ATOM 1344 CD LYS A 98 3.824 -5.221 -13.250 1.00 0.00 C ATOM 1345 CE LYS A 98 3.504 -4.435 -14.520 1.00 0.00 C ATOM 1346 NZ LYS A 98 2.340 -3.532 -14.335 1.00 0.00 N ATOM 0 H LYS A 98 3.419 -8.518 -9.473 1.00 0.00 H new ATOM 0 HA LYS A 98 3.899 -8.455 -12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.911 -7.303 -11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.100 -6.109 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.505 -6.853 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.759 -5.514 -12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.046 -4.530 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.717 -5.825 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.375 -3.849 -14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.299 -5.130 -15.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.338 -2.811 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.460 -4.085 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.405 -3.067 -13.407 1.00 0.00 H new ATOM 1360 N ALA A 99 5.462 -6.647 -10.295 1.00 0.00 N ATOM 1361 CA ALA A 99 6.662 -6.033 -9.743 1.00 0.00 C ATOM 1362 C ALA A 99 7.785 -5.752 -10.744 1.00 0.00 C ATOM 1363 O ALA A 99 8.690 -6.598 -10.899 1.00 0.00 O ATOM 1364 CB ALA A 99 7.121 -6.870 -8.588 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.774 -4.680 -11.374 1.00 0.00 O ATOM 0 H ALA A 99 4.638 -6.389 -9.753 1.00 0.00 H new ATOM 0 HA ALA A 99 6.390 -5.030 -9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.020 -6.431 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.336 -6.909 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.341 -7.880 -8.935 1.00 0.00 H new TER 1371 ALA A 99