USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 93 ASN : amide:sc= -4.24! K(o=-6.1!,f=-2.5) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 164:sc= -1.89 (180deg=-2.24!) USER MOD Set 2.1: A 73 CYS SG : rot 23:sc= 0.0944 USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 69 CYS SG : rot 142:sc= 0.599 USER MOD Set 3.2: A 78 GLN : amide:sc= -3.87 K(o=-3.3,f=-5.8!) USER MOD Set 4.1: A 32 CYS SG : rot -173:sc= 0.322 USER MOD Set 4.2: A 35 CYS SG : rot 77:sc= -2.35! USER MOD Set 5.1: A 30 THR OG1 : rot -42:sc= 0.62 USER MOD Set 5.2: A 39 LYS NZ :NH3+ -125:sc= 0.169 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.05) USER MOD Single : A 7 SER OG : rot -113:sc= 0.418 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0187 (180deg=-0.275) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0802) USER MOD Single : A 28 SER OG : rot 164:sc= -1.68! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.95 K(o=-2,f=-5.2!) USER MOD Single : A 44 SER OG : rot 152:sc= 0.926 USER MOD Single : A 46 SER OG : rot 180:sc= -0.979 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.038 (180deg=-0.382) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.1) USER MOD Single : A 62 CYS SG : rot -170:sc= -0.559 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 87:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.268) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 76 THR OG1 : rot 96:sc= 0.871 USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.735) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.281 K(o=-0.28,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0.248 (180deg=0.189) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 98:sc= -0.0545 USER MOD Single : A 102 ASN : amide:sc= -0.0796 K(o=-0.08,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.410 -0.599 8.898 1.00 0.31 N ATOM 21 CA VAL A 2 -3.088 -0.395 8.231 1.00 0.13 C ATOM 22 C VAL A 2 -2.070 -1.408 8.771 1.00 0.15 C ATOM 23 O VAL A 2 -1.903 -1.540 9.967 1.00 0.20 O ATOM 24 CB VAL A 2 -2.602 1.021 8.515 1.00 0.29 C ATOM 25 CG1 VAL A 2 -1.232 1.222 7.870 1.00 0.46 C ATOM 26 CG2 VAL A 2 -3.589 2.018 7.910 1.00 0.22 C ATOM 0 HA VAL A 2 -3.195 -0.540 7.156 1.00 0.13 H new ATOM 0 HB VAL A 2 -2.529 1.176 9.591 1.00 0.29 H new ATOM 0 HG11 VAL A 2 -0.880 2.234 8.071 1.00 0.46 H new ATOM 0 HG12 VAL A 2 -0.525 0.503 8.285 1.00 0.46 H new ATOM 0 HG13 VAL A 2 -1.311 1.072 6.793 1.00 0.46 H new ATOM 0 HG21 VAL A 2 -3.248 3.034 8.109 1.00 0.22 H new ATOM 0 HG22 VAL A 2 -3.651 1.861 6.833 1.00 0.22 H new ATOM 0 HG23 VAL A 2 -4.573 1.872 8.355 1.00 0.22 H new ATOM 36 N LYS A 3 -1.412 -2.098 7.871 1.00 0.23 N ATOM 37 CA LYS A 3 -0.404 -3.119 8.305 1.00 0.30 C ATOM 38 C LYS A 3 1.004 -2.709 7.861 1.00 0.10 C ATOM 39 O LYS A 3 1.170 -2.010 6.879 1.00 0.32 O ATOM 40 CB LYS A 3 -0.756 -4.466 7.674 1.00 0.52 C ATOM 41 CG LYS A 3 -0.331 -5.590 8.622 1.00 0.49 C ATOM 42 CD LYS A 3 -0.465 -6.934 7.900 1.00 1.35 C ATOM 43 CE LYS A 3 0.000 -8.054 8.833 1.00 1.09 C ATOM 44 NZ LYS A 3 -1.066 -8.391 9.818 1.00 0.70 N ATOM 0 H LYS A 3 -1.527 -2.001 6.862 1.00 0.23 H new ATOM 0 HA LYS A 3 -0.422 -3.193 9.392 1.00 0.30 H new ATOM 0 HB2 LYS A 3 -1.827 -4.522 7.481 1.00 0.52 H new ATOM 0 HB3 LYS A 3 -0.253 -4.574 6.713 1.00 0.52 H new ATOM 0 HG2 LYS A 3 0.699 -5.439 8.946 1.00 0.49 H new ATOM 0 HG3 LYS A 3 -0.952 -5.581 9.518 1.00 0.49 H new ATOM 0 HD2 LYS A 3 -1.500 -7.099 7.602 1.00 1.35 H new ATOM 0 HD3 LYS A 3 0.133 -6.932 6.988 1.00 1.35 H new ATOM 0 HE2 LYS A 3 0.256 -8.938 8.249 1.00 1.09 H new ATOM 0 HE3 LYS A 3 0.904 -7.746 9.358 1.00 1.09 H new ATOM 0 HZ1 LYS A 3 -0.733 -9.153 10.443 1.00 0.70 H new ATOM 0 HZ2 LYS A 3 -1.291 -7.550 10.387 1.00 0.70 H new ATOM 0 HZ3 LYS A 3 -1.919 -8.706 9.313 1.00 0.70 H new ATOM 58 N GLN A 4 1.986 -3.159 8.602 1.00 0.29 N ATOM 59 CA GLN A 4 3.403 -2.826 8.255 1.00 0.13 C ATOM 60 C GLN A 4 4.166 -4.107 7.904 1.00 0.14 C ATOM 61 O GLN A 4 4.123 -5.076 8.636 1.00 0.24 O ATOM 62 CB GLN A 4 4.065 -2.150 9.454 1.00 0.22 C ATOM 63 CG GLN A 4 5.537 -1.880 9.132 1.00 0.34 C ATOM 64 CD GLN A 4 5.934 -0.510 9.687 1.00 0.34 C ATOM 65 OE1 GLN A 4 6.871 -0.384 10.449 1.00 0.72 O ATOM 66 NE2 GLN A 4 5.245 0.541 9.330 1.00 1.51 N ATOM 0 H GLN A 4 1.869 -3.742 9.431 1.00 0.29 H new ATOM 0 HA GLN A 4 3.420 -2.154 7.397 1.00 0.13 H new ATOM 0 HB2 GLN A 4 3.554 -1.216 9.687 1.00 0.22 H new ATOM 0 HB3 GLN A 4 3.984 -2.786 10.335 1.00 0.22 H new ATOM 0 HG2 GLN A 4 6.165 -2.657 9.568 1.00 0.34 H new ATOM 0 HG3 GLN A 4 5.696 -1.908 8.054 1.00 0.34 H new ATOM 0 HE21 GLN A 4 4.457 0.441 8.690 1.00 1.51 H new ATOM 0 HE22 GLN A 4 5.495 1.462 9.691 1.00 1.51 H new ATOM 75 N ILE A 5 4.850 -4.081 6.792 1.00 0.12 N ATOM 76 CA ILE A 5 5.619 -5.292 6.372 1.00 0.23 C ATOM 77 C ILE A 5 7.097 -5.139 6.756 1.00 0.40 C ATOM 78 O ILE A 5 7.521 -4.092 7.201 1.00 0.51 O ATOM 79 CB ILE A 5 5.498 -5.453 4.849 1.00 0.12 C ATOM 80 CG1 ILE A 5 4.013 -5.367 4.441 1.00 0.17 C ATOM 81 CG2 ILE A 5 6.092 -6.809 4.412 1.00 0.24 C ATOM 82 CD1 ILE A 5 3.184 -6.372 5.252 1.00 0.36 C ATOM 0 H ILE A 5 4.911 -3.283 6.160 1.00 0.12 H new ATOM 0 HA ILE A 5 5.215 -6.171 6.874 1.00 0.23 H new ATOM 0 HB ILE A 5 6.053 -4.655 4.356 1.00 0.12 H new ATOM 0 HG12 ILE A 5 3.640 -4.357 4.609 1.00 0.17 H new ATOM 0 HG13 ILE A 5 3.908 -5.573 3.376 1.00 0.17 H new ATOM 0 HG21 ILE A 5 6.002 -6.914 3.331 1.00 0.24 H new ATOM 0 HG22 ILE A 5 7.144 -6.853 4.694 1.00 0.24 H new ATOM 0 HG23 ILE A 5 5.550 -7.618 4.902 1.00 0.24 H new ATOM 0 HD11 ILE A 5 2.137 -6.303 4.956 1.00 0.36 H new ATOM 0 HD12 ILE A 5 3.549 -7.381 5.062 1.00 0.36 H new ATOM 0 HD13 ILE A 5 3.276 -6.146 6.314 1.00 0.36 H new ATOM 94 N GLU A 6 7.849 -6.193 6.574 1.00 0.45 N ATOM 95 CA GLU A 6 9.302 -6.129 6.919 1.00 0.63 C ATOM 96 C GLU A 6 10.041 -7.335 6.329 1.00 0.26 C ATOM 97 O GLU A 6 11.104 -7.702 6.790 1.00 0.96 O ATOM 98 CB GLU A 6 9.457 -6.130 8.437 1.00 1.20 C ATOM 99 CG GLU A 6 8.801 -7.390 9.007 1.00 0.32 C ATOM 100 CD GLU A 6 9.868 -8.253 9.686 1.00 1.16 C ATOM 101 OE1 GLU A 6 10.287 -7.850 10.759 1.00 1.41 O ATOM 102 OE2 GLU A 6 10.203 -9.264 9.093 1.00 2.45 O ATOM 0 H GLU A 6 7.525 -7.087 6.205 1.00 0.45 H new ATOM 0 HA GLU A 6 9.729 -5.217 6.503 1.00 0.63 H new ATOM 0 HB2 GLU A 6 10.513 -6.101 8.707 1.00 1.20 H new ATOM 0 HB3 GLU A 6 8.994 -5.240 8.863 1.00 1.20 H new ATOM 0 HG2 GLU A 6 8.026 -7.118 9.724 1.00 0.32 H new ATOM 0 HG3 GLU A 6 8.314 -7.953 8.210 1.00 0.32 H new ATOM 109 N SER A 7 9.461 -7.924 5.321 1.00 0.53 N ATOM 110 CA SER A 7 10.108 -9.109 4.688 1.00 0.09 C ATOM 111 C SER A 7 9.247 -9.621 3.529 1.00 0.15 C ATOM 112 O SER A 7 8.111 -9.220 3.374 1.00 0.29 O ATOM 113 CB SER A 7 10.267 -10.214 5.733 1.00 0.51 C ATOM 114 OG SER A 7 9.063 -10.155 6.484 1.00 1.07 O ATOM 0 H SER A 7 8.572 -7.639 4.909 1.00 0.53 H new ATOM 0 HA SER A 7 11.086 -8.821 4.303 1.00 0.09 H new ATOM 0 HB2 SER A 7 10.398 -11.190 5.265 1.00 0.51 H new ATOM 0 HB3 SER A 7 11.139 -10.044 6.364 1.00 0.51 H new ATOM 0 HG SER A 7 9.260 -9.854 7.396 1.00 1.07 H new ATOM 120 N LYS A 8 9.805 -10.497 2.740 1.00 0.15 N ATOM 121 CA LYS A 8 9.027 -11.040 1.589 1.00 0.18 C ATOM 122 C LYS A 8 8.104 -12.159 2.059 1.00 0.18 C ATOM 123 O LYS A 8 6.946 -12.215 1.690 1.00 0.22 O ATOM 124 CB LYS A 8 9.996 -11.580 0.540 1.00 0.22 C ATOM 125 CG LYS A 8 9.191 -12.129 -0.651 1.00 0.24 C ATOM 126 CD LYS A 8 9.258 -13.664 -0.670 1.00 1.18 C ATOM 127 CE LYS A 8 10.582 -14.104 -1.302 1.00 1.37 C ATOM 128 NZ LYS A 8 10.556 -13.880 -2.775 1.00 0.85 N ATOM 0 H LYS A 8 10.754 -10.857 2.839 1.00 0.15 H new ATOM 0 HA LYS A 8 8.421 -10.244 1.157 1.00 0.18 H new ATOM 0 HB2 LYS A 8 10.669 -10.790 0.207 1.00 0.22 H new ATOM 0 HB3 LYS A 8 10.616 -12.367 0.970 1.00 0.22 H new ATOM 0 HG2 LYS A 8 8.153 -11.803 -0.580 1.00 0.24 H new ATOM 0 HG3 LYS A 8 9.588 -11.728 -1.584 1.00 0.24 H new ATOM 0 HD2 LYS A 8 9.178 -14.056 0.344 1.00 1.18 H new ATOM 0 HD3 LYS A 8 8.419 -14.069 -1.236 1.00 1.18 H new ATOM 0 HE2 LYS A 8 11.407 -13.547 -0.858 1.00 1.37 H new ATOM 0 HE3 LYS A 8 10.760 -15.159 -1.091 1.00 1.37 H new ATOM 0 HZ1 LYS A 8 11.271 -14.483 -3.231 1.00 0.85 H new ATOM 0 HZ2 LYS A 8 9.614 -14.119 -3.146 1.00 0.85 H new ATOM 0 HZ3 LYS A 8 10.765 -12.882 -2.978 1.00 0.85 H new ATOM 142 N THR A 9 8.634 -13.025 2.863 1.00 0.15 N ATOM 143 CA THR A 9 7.810 -14.151 3.377 1.00 0.17 C ATOM 144 C THR A 9 6.525 -13.609 3.995 1.00 0.17 C ATOM 145 O THR A 9 5.477 -14.218 3.906 1.00 0.19 O ATOM 146 CB THR A 9 8.606 -14.912 4.440 1.00 0.18 C ATOM 147 OG1 THR A 9 9.709 -15.474 3.733 1.00 0.22 O ATOM 148 CG2 THR A 9 7.823 -16.106 4.979 1.00 0.14 C ATOM 0 H THR A 9 9.600 -13.006 3.189 1.00 0.15 H new ATOM 0 HA THR A 9 7.557 -14.821 2.556 1.00 0.17 H new ATOM 0 HB THR A 9 8.861 -14.244 5.263 1.00 0.18 H new ATOM 0 HG1 THR A 9 10.272 -15.981 4.355 1.00 0.22 H new ATOM 0 HG21 THR A 9 8.419 -16.622 5.731 1.00 0.14 H new ATOM 0 HG22 THR A 9 6.893 -15.758 5.429 1.00 0.14 H new ATOM 0 HG23 THR A 9 7.597 -16.791 4.162 1.00 0.14 H new ATOM 156 N ALA A 10 6.641 -12.472 4.607 1.00 0.15 N ATOM 157 CA ALA A 10 5.451 -11.853 5.243 1.00 0.15 C ATOM 158 C ALA A 10 4.528 -11.264 4.176 1.00 0.14 C ATOM 159 O ALA A 10 3.354 -11.574 4.129 1.00 0.19 O ATOM 160 CB ALA A 10 5.908 -10.741 6.180 1.00 0.15 C ATOM 0 H ALA A 10 7.508 -11.942 4.696 1.00 0.15 H new ATOM 0 HA ALA A 10 4.908 -12.615 5.802 1.00 0.15 H new ATOM 0 HB1 ALA A 10 5.039 -10.282 6.651 1.00 0.15 H new ATOM 0 HB2 ALA A 10 6.559 -11.157 6.948 1.00 0.15 H new ATOM 0 HB3 ALA A 10 6.453 -9.987 5.612 1.00 0.15 H new ATOM 166 N PHE A 11 5.082 -10.418 3.346 1.00 0.10 N ATOM 167 CA PHE A 11 4.260 -9.794 2.269 1.00 0.10 C ATOM 168 C PHE A 11 3.347 -10.842 1.633 1.00 0.10 C ATOM 169 O PHE A 11 2.283 -10.530 1.147 1.00 0.11 O ATOM 170 CB PHE A 11 5.194 -9.217 1.207 1.00 0.11 C ATOM 171 CG PHE A 11 4.371 -8.491 0.142 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.711 -7.313 0.445 1.00 0.20 C ATOM 173 CD2 PHE A 11 4.274 -9.003 -1.142 1.00 0.10 C ATOM 174 CE1 PHE A 11 2.970 -6.660 -0.518 1.00 0.23 C ATOM 175 CE2 PHE A 11 3.532 -8.346 -2.102 1.00 0.15 C ATOM 176 CZ PHE A 11 2.881 -7.176 -1.790 1.00 0.21 C ATOM 0 H PHE A 11 6.062 -10.134 3.368 1.00 0.10 H new ATOM 0 HA PHE A 11 3.643 -9.002 2.694 1.00 0.10 H new ATOM 0 HB2 PHE A 11 5.902 -8.528 1.667 1.00 0.11 H new ATOM 0 HB3 PHE A 11 5.778 -10.015 0.749 1.00 0.11 H new ATOM 0 HD1 PHE A 11 3.776 -6.902 1.442 1.00 0.20 H new ATOM 0 HD2 PHE A 11 4.782 -9.922 -1.393 1.00 0.10 H new ATOM 0 HE1 PHE A 11 2.458 -5.741 -0.273 1.00 0.23 H new ATOM 0 HE2 PHE A 11 3.462 -8.752 -3.100 1.00 0.15 H new ATOM 0 HZ PHE A 11 2.301 -6.663 -2.542 1.00 0.21 H new ATOM 186 N GLN A 12 3.790 -12.067 1.649 1.00 0.12 N ATOM 187 CA GLN A 12 2.961 -13.156 1.051 1.00 0.15 C ATOM 188 C GLN A 12 1.809 -13.527 1.984 1.00 0.16 C ATOM 189 O GLN A 12 0.656 -13.492 1.605 1.00 0.17 O ATOM 190 CB GLN A 12 3.841 -14.382 0.814 1.00 0.17 C ATOM 191 CG GLN A 12 4.461 -14.293 -0.582 1.00 0.57 C ATOM 192 CD GLN A 12 3.455 -14.804 -1.614 1.00 0.63 C ATOM 193 OE1 GLN A 12 2.864 -14.042 -2.353 1.00 1.55 O ATOM 194 NE2 GLN A 12 3.232 -16.088 -1.700 1.00 1.31 N ATOM 0 H GLN A 12 4.682 -12.363 2.046 1.00 0.12 H new ATOM 0 HA GLN A 12 2.544 -12.807 0.106 1.00 0.15 H new ATOM 0 HB2 GLN A 12 4.624 -14.434 1.570 1.00 0.17 H new ATOM 0 HB3 GLN A 12 3.249 -15.293 0.905 1.00 0.17 H new ATOM 0 HG2 GLN A 12 4.737 -13.262 -0.805 1.00 0.57 H new ATOM 0 HG3 GLN A 12 5.376 -14.884 -0.625 1.00 0.57 H new ATOM 0 HE21 GLN A 12 3.725 -16.734 -1.083 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.565 -16.445 -2.384 1.00 1.31 H new ATOM 203 N GLU A 13 2.155 -13.873 3.183 1.00 0.22 N ATOM 204 CA GLU A 13 1.107 -14.267 4.173 1.00 0.24 C ATOM 205 C GLU A 13 0.078 -13.145 4.350 1.00 0.22 C ATOM 206 O GLU A 13 -1.099 -13.402 4.509 1.00 0.25 O ATOM 207 CB GLU A 13 1.775 -14.562 5.515 1.00 0.26 C ATOM 208 CG GLU A 13 2.776 -15.706 5.336 1.00 0.84 C ATOM 209 CD GLU A 13 2.393 -16.862 6.261 1.00 1.39 C ATOM 210 OE1 GLU A 13 1.593 -17.670 5.817 1.00 2.46 O ATOM 211 OE2 GLU A 13 2.921 -16.874 7.360 1.00 1.09 O ATOM 0 H GLU A 13 3.114 -13.903 3.528 1.00 0.22 H new ATOM 0 HA GLU A 13 0.591 -15.154 3.807 1.00 0.24 H new ATOM 0 HB2 GLU A 13 2.284 -13.672 5.885 1.00 0.26 H new ATOM 0 HB3 GLU A 13 1.024 -14.832 6.257 1.00 0.26 H new ATOM 0 HG2 GLU A 13 2.781 -16.041 4.299 1.00 0.84 H new ATOM 0 HG3 GLU A 13 3.785 -15.361 5.564 1.00 0.84 H new ATOM 218 N ALA A 14 0.540 -11.926 4.320 1.00 0.19 N ATOM 219 CA ALA A 14 -0.406 -10.784 4.489 1.00 0.18 C ATOM 220 C ALA A 14 -1.488 -10.834 3.408 1.00 0.15 C ATOM 221 O ALA A 14 -2.659 -10.671 3.689 1.00 0.18 O ATOM 222 CB ALA A 14 0.367 -9.470 4.378 1.00 0.17 C ATOM 0 H ALA A 14 1.519 -11.671 4.188 1.00 0.19 H new ATOM 0 HA ALA A 14 -0.881 -10.852 5.468 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.320 -8.632 4.501 1.00 0.17 H new ATOM 0 HB2 ALA A 14 1.130 -9.430 5.155 1.00 0.17 H new ATOM 0 HB3 ALA A 14 0.842 -9.409 3.399 1.00 0.17 H new ATOM 228 N LEU A 15 -1.072 -11.058 2.195 1.00 0.12 N ATOM 229 CA LEU A 15 -2.061 -11.127 1.082 1.00 0.11 C ATOM 230 C LEU A 15 -2.887 -12.411 1.199 1.00 0.14 C ATOM 231 O LEU A 15 -3.882 -12.577 0.521 1.00 0.16 O ATOM 232 CB LEU A 15 -1.312 -11.119 -0.250 1.00 0.12 C ATOM 233 CG LEU A 15 -0.484 -9.831 -0.360 1.00 0.12 C ATOM 234 CD1 LEU A 15 0.324 -9.864 -1.657 1.00 0.15 C ATOM 235 CD2 LEU A 15 -1.412 -8.613 -0.377 1.00 0.14 C ATOM 0 H LEU A 15 -0.098 -11.196 1.925 1.00 0.12 H new ATOM 0 HA LEU A 15 -2.731 -10.269 1.135 1.00 0.11 H new ATOM 0 HB2 LEU A 15 -0.661 -11.990 -0.319 1.00 0.12 H new ATOM 0 HB3 LEU A 15 -2.018 -11.182 -1.078 1.00 0.12 H new ATOM 0 HG LEU A 15 0.186 -9.760 0.497 1.00 0.12 H new ATOM 0 HD11 LEU A 15 0.914 -8.952 -1.741 1.00 0.15 H new ATOM 0 HD12 LEU A 15 0.989 -10.727 -1.649 1.00 0.15 H new ATOM 0 HD13 LEU A 15 -0.355 -9.937 -2.507 1.00 0.15 H new ATOM 0 HD21 LEU A 15 -0.817 -7.703 -0.455 1.00 0.14 H new ATOM 0 HD22 LEU A 15 -2.085 -8.681 -1.231 1.00 0.14 H new ATOM 0 HD23 LEU A 15 -1.995 -8.587 0.544 1.00 0.14 H new ATOM 247 N ASP A 16 -2.454 -13.289 2.057 1.00 0.14 N ATOM 248 CA ASP A 16 -3.200 -14.568 2.240 1.00 0.18 C ATOM 249 C ASP A 16 -4.173 -14.440 3.409 1.00 0.19 C ATOM 250 O ASP A 16 -5.165 -15.138 3.479 1.00 0.23 O ATOM 251 CB ASP A 16 -2.208 -15.696 2.518 1.00 0.19 C ATOM 252 CG ASP A 16 -2.757 -17.006 1.948 1.00 0.54 C ATOM 253 OD1 ASP A 16 -3.704 -17.497 2.539 1.00 0.70 O ATOM 254 OD2 ASP A 16 -2.197 -17.441 0.955 1.00 1.97 O ATOM 0 H ASP A 16 -1.622 -13.180 2.637 1.00 0.14 H new ATOM 0 HA ASP A 16 -3.762 -14.791 1.333 1.00 0.18 H new ATOM 0 HB2 ASP A 16 -1.243 -15.466 2.067 1.00 0.19 H new ATOM 0 HB3 ASP A 16 -2.043 -15.794 3.591 1.00 0.19 H new ATOM 259 N ALA A 17 -3.863 -13.545 4.303 1.00 0.18 N ATOM 260 CA ALA A 17 -4.752 -13.335 5.484 1.00 0.19 C ATOM 261 C ALA A 17 -5.588 -12.070 5.280 1.00 0.20 C ATOM 262 O ALA A 17 -6.248 -11.603 6.187 1.00 0.40 O ATOM 263 CB ALA A 17 -3.891 -13.182 6.736 1.00 0.33 C ATOM 0 H ALA A 17 -3.035 -12.950 4.270 1.00 0.18 H new ATOM 0 HA ALA A 17 -5.418 -14.190 5.598 1.00 0.19 H new ATOM 0 HB1 ALA A 17 -4.534 -13.028 7.603 1.00 0.33 H new ATOM 0 HB2 ALA A 17 -3.296 -14.084 6.881 1.00 0.33 H new ATOM 0 HB3 ALA A 17 -3.228 -12.325 6.619 1.00 0.33 H new ATOM 269 N ALA A 18 -5.538 -11.543 4.087 1.00 0.18 N ATOM 270 CA ALA A 18 -6.318 -10.307 3.793 1.00 0.19 C ATOM 271 C ALA A 18 -7.691 -10.672 3.220 1.00 0.14 C ATOM 272 O ALA A 18 -8.471 -9.808 2.873 1.00 0.26 O ATOM 273 CB ALA A 18 -5.549 -9.468 2.775 1.00 0.27 C ATOM 0 H ALA A 18 -4.994 -11.912 3.307 1.00 0.18 H new ATOM 0 HA ALA A 18 -6.461 -9.742 4.714 1.00 0.19 H new ATOM 0 HB1 ALA A 18 -6.111 -8.561 2.552 1.00 0.27 H new ATOM 0 HB2 ALA A 18 -4.575 -9.200 3.185 1.00 0.27 H new ATOM 0 HB3 ALA A 18 -5.411 -10.043 1.859 1.00 0.27 H new ATOM 279 N GLY A 19 -7.957 -11.946 3.134 1.00 0.14 N ATOM 280 CA GLY A 19 -9.270 -12.381 2.585 1.00 0.34 C ATOM 281 C GLY A 19 -9.320 -12.143 1.077 1.00 0.35 C ATOM 282 O GLY A 19 -8.636 -12.800 0.317 1.00 0.38 O ATOM 0 H GLY A 19 -7.328 -12.698 3.417 1.00 0.14 H new ATOM 0 HA2 GLY A 19 -9.429 -13.438 2.799 1.00 0.34 H new ATOM 0 HA3 GLY A 19 -10.076 -11.833 3.073 1.00 0.34 H new ATOM 286 N ASP A 20 -10.129 -11.204 0.675 1.00 0.41 N ATOM 287 CA ASP A 20 -10.239 -10.906 -0.785 1.00 0.42 C ATOM 288 C ASP A 20 -10.477 -9.406 -1.016 1.00 0.36 C ATOM 289 O ASP A 20 -10.117 -8.873 -2.046 1.00 0.35 O ATOM 290 CB ASP A 20 -11.404 -11.703 -1.370 1.00 0.58 C ATOM 291 CG ASP A 20 -11.394 -11.575 -2.894 1.00 1.64 C ATOM 292 OD1 ASP A 20 -10.597 -10.780 -3.365 1.00 2.87 O ATOM 293 OD2 ASP A 20 -12.183 -12.280 -3.501 1.00 2.05 O ATOM 0 H ASP A 20 -10.715 -10.633 1.285 1.00 0.41 H new ATOM 0 HA ASP A 20 -9.307 -11.188 -1.275 1.00 0.42 H new ATOM 0 HB2 ASP A 20 -11.323 -12.751 -1.082 1.00 0.58 H new ATOM 0 HB3 ASP A 20 -12.348 -11.334 -0.969 1.00 0.58 H new ATOM 298 N LYS A 21 -11.081 -8.761 -0.052 1.00 0.40 N ATOM 299 CA LYS A 21 -11.353 -7.298 -0.198 1.00 0.37 C ATOM 300 C LYS A 21 -10.139 -6.583 -0.801 1.00 0.30 C ATOM 301 O LYS A 21 -9.018 -7.028 -0.659 1.00 0.41 O ATOM 302 CB LYS A 21 -11.655 -6.708 1.178 1.00 0.39 C ATOM 303 CG LYS A 21 -12.938 -7.336 1.724 1.00 0.59 C ATOM 304 CD LYS A 21 -12.639 -8.009 3.065 1.00 0.25 C ATOM 305 CE LYS A 21 -13.947 -8.519 3.672 1.00 0.62 C ATOM 306 NZ LYS A 21 -14.464 -9.681 2.895 1.00 1.86 N ATOM 0 H LYS A 21 -11.396 -9.179 0.824 1.00 0.40 H new ATOM 0 HA LYS A 21 -12.206 -7.160 -0.863 1.00 0.37 H new ATOM 0 HB2 LYS A 21 -10.825 -6.898 1.858 1.00 0.39 H new ATOM 0 HB3 LYS A 21 -11.767 -5.626 1.106 1.00 0.39 H new ATOM 0 HG2 LYS A 21 -13.705 -6.572 1.850 1.00 0.59 H new ATOM 0 HG3 LYS A 21 -13.329 -8.067 1.016 1.00 0.59 H new ATOM 0 HD2 LYS A 21 -11.943 -8.836 2.924 1.00 0.25 H new ATOM 0 HD3 LYS A 21 -12.161 -7.301 3.742 1.00 0.25 H new ATOM 0 HE2 LYS A 21 -13.784 -8.811 4.709 1.00 0.62 H new ATOM 0 HE3 LYS A 21 -14.688 -7.720 3.679 1.00 0.62 H new ATOM 0 HZ1 LYS A 21 -15.253 -10.120 3.411 1.00 1.86 H new ATOM 0 HZ2 LYS A 21 -14.797 -9.356 1.965 1.00 1.86 H new ATOM 0 HZ3 LYS A 21 -13.703 -10.379 2.766 1.00 1.86 H new ATOM 320 N LEU A 22 -10.395 -5.487 -1.466 1.00 0.19 N ATOM 321 CA LEU A 22 -9.275 -4.718 -2.086 1.00 0.14 C ATOM 322 C LEU A 22 -8.088 -4.629 -1.120 1.00 0.12 C ATOM 323 O LEU A 22 -8.250 -4.266 0.028 1.00 0.29 O ATOM 324 CB LEU A 22 -9.766 -3.302 -2.408 1.00 0.16 C ATOM 325 CG LEU A 22 -10.098 -3.182 -3.900 1.00 0.49 C ATOM 326 CD1 LEU A 22 -11.292 -4.085 -4.233 1.00 1.93 C ATOM 327 CD2 LEU A 22 -10.470 -1.731 -4.208 1.00 1.31 C ATOM 0 H LEU A 22 -11.325 -5.093 -1.606 1.00 0.19 H new ATOM 0 HA LEU A 22 -8.953 -5.226 -2.995 1.00 0.14 H new ATOM 0 HB2 LEU A 22 -10.649 -3.071 -1.812 1.00 0.16 H new ATOM 0 HB3 LEU A 22 -9.001 -2.574 -2.139 1.00 0.16 H new ATOM 0 HG LEU A 22 -9.235 -3.484 -4.494 1.00 0.49 H new ATOM 0 HD11 LEU A 22 -11.528 -4.000 -5.294 1.00 1.93 H new ATOM 0 HD12 LEU A 22 -11.042 -5.120 -3.999 1.00 1.93 H new ATOM 0 HD13 LEU A 22 -12.156 -3.778 -3.643 1.00 1.93 H new ATOM 0 HD21 LEU A 22 -10.708 -1.633 -5.267 1.00 1.31 H new ATOM 0 HD22 LEU A 22 -11.337 -1.443 -3.613 1.00 1.31 H new ATOM 0 HD23 LEU A 22 -9.630 -1.080 -3.964 1.00 1.31 H new ATOM 339 N VAL A 23 -6.922 -4.969 -1.613 1.00 0.12 N ATOM 340 CA VAL A 23 -5.700 -4.901 -0.753 1.00 0.15 C ATOM 341 C VAL A 23 -4.701 -3.922 -1.371 1.00 0.18 C ATOM 342 O VAL A 23 -3.957 -4.273 -2.265 1.00 0.21 O ATOM 343 CB VAL A 23 -5.068 -6.292 -0.666 1.00 0.18 C ATOM 344 CG1 VAL A 23 -4.160 -6.360 0.558 1.00 0.15 C ATOM 345 CG2 VAL A 23 -6.169 -7.344 -0.529 1.00 0.20 C ATOM 0 H VAL A 23 -6.764 -5.289 -2.569 1.00 0.12 H new ATOM 0 HA VAL A 23 -5.970 -4.560 0.247 1.00 0.15 H new ATOM 0 HB VAL A 23 -4.487 -6.483 -1.568 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -3.709 -7.350 0.622 1.00 0.15 H new ATOM 0 HG12 VAL A 23 -3.375 -5.609 0.471 1.00 0.15 H new ATOM 0 HG13 VAL A 23 -4.746 -6.170 1.457 1.00 0.15 H new ATOM 0 HG21 VAL A 23 -5.720 -8.335 -0.467 1.00 0.20 H new ATOM 0 HG22 VAL A 23 -6.747 -7.150 0.375 1.00 0.20 H new ATOM 0 HG23 VAL A 23 -6.827 -7.298 -1.397 1.00 0.20 H new ATOM 355 N VAL A 24 -4.706 -2.713 -0.881 1.00 0.17 N ATOM 356 CA VAL A 24 -3.775 -1.694 -1.447 1.00 0.21 C ATOM 357 C VAL A 24 -2.495 -1.607 -0.609 1.00 0.28 C ATOM 358 O VAL A 24 -2.514 -1.851 0.582 1.00 0.58 O ATOM 359 CB VAL A 24 -4.474 -0.338 -1.449 1.00 0.21 C ATOM 360 CG1 VAL A 24 -3.531 0.710 -2.035 1.00 0.27 C ATOM 361 CG2 VAL A 24 -5.733 -0.424 -2.313 1.00 0.16 C ATOM 0 H VAL A 24 -5.306 -2.388 -0.123 1.00 0.17 H new ATOM 0 HA VAL A 24 -3.504 -1.982 -2.463 1.00 0.21 H new ATOM 0 HB VAL A 24 -4.746 -0.060 -0.431 1.00 0.21 H new ATOM 0 HG11 VAL A 24 -4.025 1.682 -2.039 1.00 0.27 H new ATOM 0 HG12 VAL A 24 -2.627 0.765 -1.429 1.00 0.27 H new ATOM 0 HG13 VAL A 24 -3.268 0.432 -3.056 1.00 0.27 H new ATOM 0 HG21 VAL A 24 -6.237 0.542 -2.318 1.00 0.16 H new ATOM 0 HG22 VAL A 24 -5.457 -0.695 -3.332 1.00 0.16 H new ATOM 0 HG23 VAL A 24 -6.403 -1.181 -1.905 1.00 0.16 H new ATOM 371 N VAL A 25 -1.407 -1.259 -1.259 1.00 0.07 N ATOM 372 CA VAL A 25 -0.107 -1.140 -0.524 1.00 0.08 C ATOM 373 C VAL A 25 0.508 0.235 -0.752 1.00 0.10 C ATOM 374 O VAL A 25 0.491 0.750 -1.852 1.00 0.28 O ATOM 375 CB VAL A 25 0.873 -2.201 -1.031 1.00 0.12 C ATOM 376 CG1 VAL A 25 2.212 -2.033 -0.306 1.00 0.08 C ATOM 377 CG2 VAL A 25 0.322 -3.593 -0.743 1.00 0.29 C ATOM 0 H VAL A 25 -1.364 -1.054 -2.257 1.00 0.07 H new ATOM 0 HA VAL A 25 -0.300 -1.282 0.539 1.00 0.08 H new ATOM 0 HB VAL A 25 1.011 -2.082 -2.106 1.00 0.12 H new ATOM 0 HG11 VAL A 25 2.915 -2.786 -0.662 1.00 0.08 H new ATOM 0 HG12 VAL A 25 2.612 -1.039 -0.506 1.00 0.08 H new ATOM 0 HG13 VAL A 25 2.063 -2.155 0.767 1.00 0.08 H new ATOM 0 HG21 VAL A 25 1.023 -4.344 -1.106 1.00 0.29 H new ATOM 0 HG22 VAL A 25 0.184 -3.715 0.331 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -0.636 -3.717 -1.248 1.00 0.29 H new ATOM 387 N ASP A 26 1.040 0.798 0.301 1.00 0.13 N ATOM 388 CA ASP A 26 1.686 2.134 0.172 1.00 0.10 C ATOM 389 C ASP A 26 3.207 1.976 0.226 1.00 0.08 C ATOM 390 O ASP A 26 3.799 1.977 1.289 1.00 0.09 O ATOM 391 CB ASP A 26 1.229 3.028 1.318 1.00 0.08 C ATOM 392 CG ASP A 26 1.881 4.405 1.174 1.00 0.08 C ATOM 393 OD1 ASP A 26 2.064 4.800 0.035 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.155 4.984 2.212 1.00 0.97 O ATOM 0 H ASP A 26 1.055 0.393 1.237 1.00 0.13 H new ATOM 0 HA ASP A 26 1.403 2.584 -0.779 1.00 0.10 H new ATOM 0 HB2 ASP A 26 0.143 3.124 1.309 1.00 0.08 H new ATOM 0 HB3 ASP A 26 1.502 2.582 2.274 1.00 0.08 H new ATOM 399 N PHE A 27 3.800 1.825 -0.921 1.00 0.09 N ATOM 400 CA PHE A 27 5.279 1.672 -0.966 1.00 0.08 C ATOM 401 C PHE A 27 5.942 3.035 -0.809 1.00 0.08 C ATOM 402 O PHE A 27 6.008 3.805 -1.746 1.00 0.15 O ATOM 403 CB PHE A 27 5.672 1.082 -2.302 1.00 0.10 C ATOM 404 CG PHE A 27 5.371 -0.419 -2.309 1.00 0.07 C ATOM 405 CD1 PHE A 27 6.289 -1.321 -1.803 1.00 0.06 C ATOM 406 CD2 PHE A 27 4.175 -0.894 -2.824 1.00 0.10 C ATOM 407 CE1 PHE A 27 6.021 -2.674 -1.818 1.00 0.07 C ATOM 408 CE2 PHE A 27 3.914 -2.253 -2.832 1.00 0.07 C ATOM 409 CZ PHE A 27 4.837 -3.137 -2.331 1.00 0.03 C ATOM 0 H PHE A 27 3.329 1.801 -1.826 1.00 0.09 H new ATOM 0 HA PHE A 27 5.602 1.017 -0.157 1.00 0.08 H new ATOM 0 HB2 PHE A 27 5.125 1.577 -3.104 1.00 0.10 H new ATOM 0 HB3 PHE A 27 6.733 1.251 -2.488 1.00 0.10 H new ATOM 0 HD1 PHE A 27 7.222 -0.964 -1.393 1.00 0.06 H new ATOM 0 HD2 PHE A 27 3.446 -0.203 -3.220 1.00 0.10 H new ATOM 0 HE1 PHE A 27 6.746 -3.371 -1.424 1.00 0.07 H new ATOM 0 HE2 PHE A 27 2.981 -2.619 -3.234 1.00 0.07 H new ATOM 0 HZ PHE A 27 4.630 -4.197 -2.341 1.00 0.03 H new ATOM 419 N SER A 28 6.423 3.307 0.364 1.00 0.06 N ATOM 420 CA SER A 28 7.073 4.622 0.584 1.00 0.09 C ATOM 421 C SER A 28 8.077 4.538 1.738 1.00 0.04 C ATOM 422 O SER A 28 8.446 3.461 2.165 1.00 0.06 O ATOM 423 CB SER A 28 6.000 5.647 0.912 1.00 0.20 C ATOM 424 OG SER A 28 4.900 5.272 0.097 1.00 2.20 O ATOM 0 H SER A 28 6.396 2.685 1.172 1.00 0.06 H new ATOM 0 HA SER A 28 7.610 4.915 -0.318 1.00 0.09 H new ATOM 0 HB2 SER A 28 5.738 5.625 1.970 1.00 0.20 H new ATOM 0 HB3 SER A 28 6.335 6.660 0.688 1.00 0.20 H new ATOM 0 HG SER A 28 4.087 5.711 0.423 1.00 2.20 H new ATOM 430 N ALA A 29 8.496 5.680 2.216 1.00 0.23 N ATOM 431 CA ALA A 29 9.477 5.692 3.343 1.00 0.34 C ATOM 432 C ALA A 29 8.760 5.970 4.670 1.00 0.48 C ATOM 433 O ALA A 29 8.079 6.966 4.813 1.00 0.53 O ATOM 434 CB ALA A 29 10.513 6.785 3.087 1.00 0.59 C ATOM 0 H ALA A 29 8.205 6.598 1.879 1.00 0.23 H new ATOM 0 HA ALA A 29 9.965 4.719 3.405 1.00 0.34 H new ATOM 0 HB1 ALA A 29 11.234 6.802 3.904 1.00 0.59 H new ATOM 0 HB2 ALA A 29 11.032 6.582 2.150 1.00 0.59 H new ATOM 0 HB3 ALA A 29 10.014 7.752 3.024 1.00 0.59 H new ATOM 440 N THR A 30 8.932 5.083 5.612 1.00 0.61 N ATOM 441 CA THR A 30 8.272 5.284 6.938 1.00 0.85 C ATOM 442 C THR A 30 9.217 6.035 7.879 1.00 1.05 C ATOM 443 O THR A 30 8.911 6.245 9.037 1.00 1.66 O ATOM 444 CB THR A 30 7.933 3.918 7.541 1.00 1.05 C ATOM 445 OG1 THR A 30 7.012 4.202 8.590 1.00 1.33 O ATOM 446 CG2 THR A 30 9.145 3.294 8.227 1.00 1.17 C ATOM 0 H THR A 30 9.494 4.236 5.525 1.00 0.61 H new ATOM 0 HA THR A 30 7.361 5.867 6.806 1.00 0.85 H new ATOM 0 HB THR A 30 7.570 3.247 6.762 1.00 1.05 H new ATOM 0 HG1 THR A 30 7.310 4.996 9.081 1.00 1.33 H new ATOM 0 HG21 THR A 30 8.869 2.325 8.644 1.00 1.17 H new ATOM 0 HG22 THR A 30 9.946 3.161 7.500 1.00 1.17 H new ATOM 0 HG23 THR A 30 9.487 3.949 9.028 1.00 1.17 H new ATOM 454 N TRP A 31 10.348 6.421 7.349 1.00 0.85 N ATOM 455 CA TRP A 31 11.351 7.161 8.175 1.00 0.95 C ATOM 456 C TRP A 31 11.525 8.583 7.634 1.00 0.76 C ATOM 457 O TRP A 31 11.639 9.530 8.386 1.00 0.72 O ATOM 458 CB TRP A 31 12.680 6.420 8.085 1.00 1.09 C ATOM 459 CG TRP A 31 13.010 6.202 6.610 1.00 0.94 C ATOM 460 CD1 TRP A 31 12.650 5.125 5.917 1.00 0.84 C ATOM 461 CD2 TRP A 31 13.646 7.066 5.841 1.00 0.90 C ATOM 462 NE1 TRP A 31 13.097 5.380 4.680 1.00 0.76 N ATOM 463 CE2 TRP A 31 13.740 6.589 4.546 1.00 0.80 C ATOM 464 CE3 TRP A 31 14.186 8.303 6.152 1.00 0.98 C ATOM 465 CZ2 TRP A 31 14.361 7.339 3.576 1.00 0.81 C ATOM 466 CZ3 TRP A 31 14.811 9.051 5.175 1.00 0.96 C ATOM 467 CH2 TRP A 31 14.898 8.568 3.888 1.00 0.89 C ATOM 0 H TRP A 31 10.622 6.256 6.380 1.00 0.85 H new ATOM 0 HA TRP A 31 11.013 7.217 9.210 1.00 0.95 H new ATOM 0 HB2 TRP A 31 13.469 6.996 8.569 1.00 1.09 H new ATOM 0 HB3 TRP A 31 12.618 5.464 8.605 1.00 1.09 H new ATOM 0 HD1 TRP A 31 12.122 4.251 6.269 1.00 0.84 H new ATOM 0 HE1 TRP A 31 12.971 4.732 3.902 1.00 0.76 H new ATOM 0 HE3 TRP A 31 14.118 8.683 7.161 1.00 0.98 H new ATOM 0 HZ2 TRP A 31 14.428 6.963 2.566 1.00 0.81 H new ATOM 0 HZ3 TRP A 31 15.232 10.015 5.420 1.00 0.96 H new ATOM 0 HH2 TRP A 31 15.387 9.153 3.124 1.00 0.89 H new ATOM 478 N CYS A 32 11.544 8.699 6.332 1.00 0.65 N ATOM 479 CA CYS A 32 11.708 10.049 5.716 1.00 0.52 C ATOM 480 C CYS A 32 10.671 11.023 6.289 1.00 0.43 C ATOM 481 O CYS A 32 9.811 10.635 7.056 1.00 0.49 O ATOM 482 CB CYS A 32 11.520 9.936 4.206 1.00 0.42 C ATOM 483 SG CYS A 32 11.896 11.400 3.209 1.00 0.50 S ATOM 0 H CYS A 32 11.454 7.925 5.674 1.00 0.65 H new ATOM 0 HA CYS A 32 12.706 10.426 5.939 1.00 0.52 H new ATOM 0 HB2 CYS A 32 12.143 9.116 3.849 1.00 0.42 H new ATOM 0 HB3 CYS A 32 10.484 9.655 4.015 1.00 0.42 H new ATOM 0 HG CYS A 32 11.550 11.185 1.975 1.00 0.50 H new ATOM 489 N GLY A 33 10.777 12.266 5.904 1.00 0.30 N ATOM 490 CA GLY A 33 9.810 13.283 6.416 1.00 0.23 C ATOM 491 C GLY A 33 8.683 13.538 5.398 1.00 0.21 C ATOM 492 O GLY A 33 7.551 13.154 5.612 1.00 0.24 O ATOM 0 H GLY A 33 11.485 12.621 5.262 1.00 0.30 H new ATOM 0 HA2 GLY A 33 9.382 12.941 7.358 1.00 0.23 H new ATOM 0 HA3 GLY A 33 10.334 14.216 6.624 1.00 0.23 H new ATOM 496 N PRO A 34 9.029 14.186 4.303 1.00 0.16 N ATOM 497 CA PRO A 34 8.055 14.504 3.247 1.00 0.12 C ATOM 498 C PRO A 34 7.237 13.269 2.851 1.00 0.19 C ATOM 499 O PRO A 34 6.067 13.373 2.540 1.00 0.31 O ATOM 500 CB PRO A 34 8.900 14.997 2.067 1.00 0.11 C ATOM 501 CG PRO A 34 10.362 15.163 2.583 1.00 0.16 C ATOM 502 CD PRO A 34 10.402 14.633 4.028 1.00 0.15 C ATOM 0 HA PRO A 34 7.331 15.249 3.577 1.00 0.12 H new ATOM 0 HB2 PRO A 34 8.862 14.285 1.243 1.00 0.11 H new ATOM 0 HB3 PRO A 34 8.516 15.944 1.688 1.00 0.11 H new ATOM 0 HG2 PRO A 34 11.057 14.610 1.952 1.00 0.16 H new ATOM 0 HG3 PRO A 34 10.665 16.210 2.549 1.00 0.16 H new ATOM 0 HD2 PRO A 34 11.113 13.813 4.129 1.00 0.15 H new ATOM 0 HD3 PRO A 34 10.712 15.411 4.726 1.00 0.15 H new ATOM 510 N CYS A 35 7.864 12.126 2.868 1.00 0.12 N ATOM 511 CA CYS A 35 7.124 10.888 2.493 1.00 0.17 C ATOM 512 C CYS A 35 6.148 10.498 3.608 1.00 0.19 C ATOM 513 O CYS A 35 5.146 9.858 3.361 1.00 0.30 O ATOM 514 CB CYS A 35 8.120 9.752 2.264 1.00 0.15 C ATOM 515 SG CYS A 35 9.703 10.177 1.494 1.00 0.49 S ATOM 0 H CYS A 35 8.843 11.995 3.122 1.00 0.12 H new ATOM 0 HA CYS A 35 6.560 11.072 1.579 1.00 0.17 H new ATOM 0 HB2 CYS A 35 8.328 9.287 3.227 1.00 0.15 H new ATOM 0 HB3 CYS A 35 7.635 8.998 1.644 1.00 0.15 H new ATOM 0 HG CYS A 35 10.475 10.743 2.373 1.00 0.49 H new ATOM 521 N LYS A 36 6.462 10.893 4.815 1.00 0.28 N ATOM 522 CA LYS A 36 5.558 10.557 5.950 1.00 0.31 C ATOM 523 C LYS A 36 4.597 11.718 6.220 1.00 0.31 C ATOM 524 O LYS A 36 3.764 11.646 7.099 1.00 0.41 O ATOM 525 CB LYS A 36 6.396 10.285 7.197 1.00 0.35 C ATOM 526 CG LYS A 36 5.459 9.972 8.367 1.00 0.60 C ATOM 527 CD LYS A 36 6.171 9.037 9.344 1.00 0.43 C ATOM 528 CE LYS A 36 7.481 9.687 9.797 1.00 1.10 C ATOM 529 NZ LYS A 36 7.913 9.131 11.111 1.00 1.60 N ATOM 0 H LYS A 36 7.296 11.427 5.060 1.00 0.28 H new ATOM 0 HA LYS A 36 4.977 9.671 5.696 1.00 0.31 H new ATOM 0 HB2 LYS A 36 7.072 9.448 7.021 1.00 0.35 H new ATOM 0 HB3 LYS A 36 7.015 11.151 7.431 1.00 0.35 H new ATOM 0 HG2 LYS A 36 5.169 10.893 8.872 1.00 0.60 H new ATOM 0 HG3 LYS A 36 4.544 9.507 8.001 1.00 0.60 H new ATOM 0 HD2 LYS A 36 5.533 8.837 10.205 1.00 0.43 H new ATOM 0 HD3 LYS A 36 6.373 8.078 8.867 1.00 0.43 H new ATOM 0 HE2 LYS A 36 8.256 9.515 9.050 1.00 1.10 H new ATOM 0 HE3 LYS A 36 7.350 10.766 9.878 1.00 1.10 H new ATOM 0 HZ1 LYS A 36 8.803 9.583 11.403 1.00 1.60 H new ATOM 0 HZ2 LYS A 36 7.180 9.317 11.825 1.00 1.60 H new ATOM 0 HZ3 LYS A 36 8.058 8.105 11.023 1.00 1.60 H new ATOM 543 N MET A 37 4.739 12.770 5.462 1.00 0.25 N ATOM 544 CA MET A 37 3.831 13.935 5.658 1.00 0.26 C ATOM 545 C MET A 37 2.482 13.646 5.001 1.00 0.23 C ATOM 546 O MET A 37 1.479 14.239 5.341 1.00 0.24 O ATOM 547 CB MET A 37 4.457 15.174 5.028 1.00 0.31 C ATOM 548 CG MET A 37 4.202 16.379 5.934 1.00 0.56 C ATOM 549 SD MET A 37 5.203 16.513 7.436 1.00 2.36 S ATOM 550 CE MET A 37 4.951 18.283 7.719 1.00 2.33 C ATOM 0 H MET A 37 5.435 12.874 4.724 1.00 0.25 H new ATOM 0 HA MET A 37 3.681 14.108 6.724 1.00 0.26 H new ATOM 0 HB2 MET A 37 5.528 15.026 4.892 1.00 0.31 H new ATOM 0 HB3 MET A 37 4.031 15.349 4.040 1.00 0.31 H new ATOM 0 HG2 MET A 37 4.355 17.283 5.345 1.00 0.56 H new ATOM 0 HG3 MET A 37 3.152 16.364 6.228 1.00 0.56 H new ATOM 0 HE1 MET A 37 5.491 18.589 8.615 1.00 2.33 H new ATOM 0 HE2 MET A 37 5.322 18.845 6.862 1.00 2.33 H new ATOM 0 HE3 MET A 37 3.888 18.483 7.851 1.00 2.33 H new ATOM 560 N ILE A 38 2.494 12.740 4.061 1.00 0.21 N ATOM 561 CA ILE A 38 1.222 12.375 3.371 1.00 0.20 C ATOM 562 C ILE A 38 0.633 11.112 4.011 1.00 0.13 C ATOM 563 O ILE A 38 -0.323 10.549 3.528 1.00 0.18 O ATOM 564 CB ILE A 38 1.509 12.125 1.886 1.00 0.25 C ATOM 565 CG1 ILE A 38 1.916 13.446 1.231 1.00 0.38 C ATOM 566 CG2 ILE A 38 0.245 11.597 1.206 1.00 0.29 C ATOM 567 CD1 ILE A 38 2.807 13.154 0.025 1.00 1.16 C ATOM 0 H ILE A 38 3.323 12.239 3.742 1.00 0.21 H new ATOM 0 HA ILE A 38 0.503 13.189 3.469 1.00 0.20 H new ATOM 0 HB ILE A 38 2.311 11.394 1.783 1.00 0.25 H new ATOM 0 HG12 ILE A 38 1.030 13.999 0.919 1.00 0.38 H new ATOM 0 HG13 ILE A 38 2.447 14.073 1.947 1.00 0.38 H new ATOM 0 HG21 ILE A 38 0.447 11.419 0.150 1.00 0.29 H new ATOM 0 HG22 ILE A 38 -0.060 10.664 1.680 1.00 0.29 H new ATOM 0 HG23 ILE A 38 -0.554 12.332 1.303 1.00 0.29 H new ATOM 0 HD11 ILE A 38 3.100 14.092 -0.446 1.00 1.16 H new ATOM 0 HD12 ILE A 38 3.698 12.618 0.352 1.00 1.16 H new ATOM 0 HD13 ILE A 38 2.259 12.543 -0.693 1.00 1.16 H new ATOM 579 N LYS A 39 1.222 10.692 5.091 1.00 0.03 N ATOM 580 CA LYS A 39 0.701 9.478 5.772 1.00 0.06 C ATOM 581 C LYS A 39 -0.691 9.740 6.407 1.00 0.05 C ATOM 582 O LYS A 39 -1.578 8.923 6.290 1.00 0.04 O ATOM 583 CB LYS A 39 1.686 9.033 6.866 1.00 0.13 C ATOM 584 CG LYS A 39 2.104 7.561 6.646 1.00 0.80 C ATOM 585 CD LYS A 39 2.587 6.975 7.978 1.00 0.68 C ATOM 586 CE LYS A 39 3.081 5.540 7.763 1.00 1.41 C ATOM 587 NZ LYS A 39 4.188 5.229 8.710 1.00 1.40 N ATOM 0 H LYS A 39 2.033 11.130 5.529 1.00 0.03 H new ATOM 0 HA LYS A 39 0.595 8.692 5.024 1.00 0.06 H new ATOM 0 HB2 LYS A 39 2.567 9.674 6.854 1.00 0.13 H new ATOM 0 HB3 LYS A 39 1.225 9.144 7.847 1.00 0.13 H new ATOM 0 HG2 LYS A 39 1.262 6.984 6.264 1.00 0.80 H new ATOM 0 HG3 LYS A 39 2.896 7.502 5.899 1.00 0.80 H new ATOM 0 HD2 LYS A 39 3.390 7.589 8.386 1.00 0.68 H new ATOM 0 HD3 LYS A 39 1.776 6.985 8.706 1.00 0.68 H new ATOM 0 HE2 LYS A 39 2.259 4.839 7.910 1.00 1.41 H new ATOM 0 HE3 LYS A 39 3.426 5.416 6.736 1.00 1.41 H new ATOM 0 HZ1 LYS A 39 5.020 4.903 8.177 1.00 1.40 H new ATOM 0 HZ2 LYS A 39 4.435 6.084 9.248 1.00 1.40 H new ATOM 0 HZ3 LYS A 39 3.884 4.482 9.367 1.00 1.40 H new ATOM 601 N PRO A 40 -0.860 10.885 7.070 1.00 0.07 N ATOM 602 CA PRO A 40 -2.145 11.203 7.713 1.00 0.11 C ATOM 603 C PRO A 40 -3.282 11.181 6.685 1.00 0.10 C ATOM 604 O PRO A 40 -4.431 11.389 7.020 1.00 0.14 O ATOM 605 CB PRO A 40 -1.959 12.598 8.318 1.00 0.15 C ATOM 606 CG PRO A 40 -0.449 12.954 8.182 1.00 0.21 C ATOM 607 CD PRO A 40 0.176 11.921 7.225 1.00 0.10 C ATOM 0 HA PRO A 40 -2.416 10.474 8.477 1.00 0.11 H new ATOM 0 HB2 PRO A 40 -2.576 13.330 7.797 1.00 0.15 H new ATOM 0 HB3 PRO A 40 -2.265 12.609 9.364 1.00 0.15 H new ATOM 0 HG2 PRO A 40 -0.325 13.964 7.792 1.00 0.21 H new ATOM 0 HG3 PRO A 40 0.043 12.925 9.154 1.00 0.21 H new ATOM 0 HD2 PRO A 40 0.432 12.372 6.266 1.00 0.10 H new ATOM 0 HD3 PRO A 40 1.095 11.504 7.637 1.00 0.10 H new ATOM 615 N PHE A 41 -2.926 10.941 5.452 1.00 0.08 N ATOM 616 CA PHE A 41 -3.959 10.856 4.379 1.00 0.08 C ATOM 617 C PHE A 41 -4.214 9.378 4.060 1.00 0.09 C ATOM 618 O PHE A 41 -5.343 8.957 3.905 1.00 0.02 O ATOM 619 CB PHE A 41 -3.447 11.590 3.139 1.00 0.08 C ATOM 620 CG PHE A 41 -3.571 13.098 3.362 1.00 0.14 C ATOM 621 CD1 PHE A 41 -2.555 13.804 3.983 1.00 0.16 C ATOM 622 CD2 PHE A 41 -4.703 13.778 2.945 1.00 0.23 C ATOM 623 CE1 PHE A 41 -2.671 15.165 4.182 1.00 0.24 C ATOM 624 CE2 PHE A 41 -4.816 15.137 3.146 1.00 0.30 C ATOM 625 CZ PHE A 41 -3.800 15.830 3.764 1.00 0.29 C ATOM 0 H PHE A 41 -1.965 10.800 5.141 1.00 0.08 H new ATOM 0 HA PHE A 41 -4.891 11.318 4.703 1.00 0.08 H new ATOM 0 HB2 PHE A 41 -2.408 11.323 2.946 1.00 0.08 H new ATOM 0 HB3 PHE A 41 -4.021 11.291 2.262 1.00 0.08 H new ATOM 0 HD1 PHE A 41 -1.666 13.287 4.314 1.00 0.16 H new ATOM 0 HD2 PHE A 41 -5.503 13.240 2.459 1.00 0.23 H new ATOM 0 HE1 PHE A 41 -1.874 15.709 4.667 1.00 0.24 H new ATOM 0 HE2 PHE A 41 -5.703 15.659 2.818 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.889 16.895 3.921 1.00 0.29 H new ATOM 635 N PHE A 42 -3.146 8.624 3.969 1.00 0.21 N ATOM 636 CA PHE A 42 -3.290 7.159 3.698 1.00 0.27 C ATOM 637 C PHE A 42 -3.506 6.430 5.025 1.00 0.30 C ATOM 638 O PHE A 42 -4.457 5.693 5.196 1.00 0.61 O ATOM 639 CB PHE A 42 -2.007 6.640 3.040 1.00 0.36 C ATOM 640 CG PHE A 42 -2.152 5.140 2.748 1.00 0.30 C ATOM 641 CD1 PHE A 42 -3.013 4.705 1.758 1.00 0.27 C ATOM 642 CD2 PHE A 42 -1.423 4.198 3.468 1.00 0.28 C ATOM 643 CE1 PHE A 42 -3.147 3.359 1.489 1.00 0.22 C ATOM 644 CE2 PHE A 42 -1.564 2.853 3.196 1.00 0.23 C ATOM 645 CZ PHE A 42 -2.423 2.434 2.208 1.00 0.20 C ATOM 0 H PHE A 42 -2.187 8.956 4.070 1.00 0.21 H new ATOM 0 HA PHE A 42 -4.138 6.984 3.035 1.00 0.27 H new ATOM 0 HB2 PHE A 42 -1.814 7.184 2.116 1.00 0.36 H new ATOM 0 HB3 PHE A 42 -1.154 6.813 3.696 1.00 0.36 H new ATOM 0 HD1 PHE A 42 -3.585 5.424 1.191 1.00 0.27 H new ATOM 0 HD2 PHE A 42 -0.744 4.521 4.243 1.00 0.28 H new ATOM 0 HE1 PHE A 42 -3.821 3.029 0.713 1.00 0.22 H new ATOM 0 HE2 PHE A 42 -0.998 2.127 3.761 1.00 0.23 H new ATOM 0 HZ PHE A 42 -2.530 1.380 1.996 1.00 0.20 H new ATOM 655 N HIS A 43 -2.600 6.659 5.930 1.00 0.45 N ATOM 656 CA HIS A 43 -2.694 6.018 7.269 1.00 0.44 C ATOM 657 C HIS A 43 -4.004 6.414 7.962 1.00 0.45 C ATOM 658 O HIS A 43 -4.377 5.838 8.964 1.00 0.51 O ATOM 659 CB HIS A 43 -1.508 6.493 8.109 1.00 0.46 C ATOM 660 CG HIS A 43 -1.408 5.655 9.377 1.00 0.40 C ATOM 661 ND1 HIS A 43 -2.205 4.744 9.696 1.00 0.41 N ATOM 662 CD2 HIS A 43 -0.473 5.702 10.395 1.00 0.47 C ATOM 663 CE1 HIS A 43 -1.879 4.210 10.799 1.00 0.39 C ATOM 664 NE2 HIS A 43 -0.781 4.759 11.324 1.00 0.50 N ATOM 0 H HIS A 43 -1.792 7.267 5.799 1.00 0.45 H new ATOM 0 HA HIS A 43 -2.678 4.934 7.159 1.00 0.44 H new ATOM 0 HB2 HIS A 43 -0.586 6.410 7.533 1.00 0.46 H new ATOM 0 HB3 HIS A 43 -1.630 7.545 8.366 1.00 0.46 H new ATOM 0 HD2 HIS A 43 0.367 6.379 10.444 1.00 0.47 H new ATOM 0 HE1 HIS A 43 -2.427 3.403 11.261 1.00 0.39 H new ATOM 0 HE2 HIS A 43 -0.300 4.531 12.194 1.00 0.50 H new ATOM 672 N SER A 44 -4.673 7.391 7.413 1.00 0.41 N ATOM 673 CA SER A 44 -5.957 7.836 8.033 1.00 0.42 C ATOM 674 C SER A 44 -7.124 7.015 7.485 1.00 0.38 C ATOM 675 O SER A 44 -8.184 6.965 8.077 1.00 0.42 O ATOM 676 CB SER A 44 -6.181 9.311 7.717 1.00 0.46 C ATOM 677 OG SER A 44 -5.383 9.994 8.674 1.00 1.74 O ATOM 0 H SER A 44 -4.392 7.896 6.572 1.00 0.41 H new ATOM 0 HA SER A 44 -5.901 7.691 9.112 1.00 0.42 H new ATOM 0 HB2 SER A 44 -5.876 9.552 6.699 1.00 0.46 H new ATOM 0 HB3 SER A 44 -7.233 9.583 7.807 1.00 0.46 H new ATOM 0 HG SER A 44 -5.099 10.857 8.307 1.00 1.74 H new ATOM 683 N LEU A 45 -6.903 6.392 6.368 1.00 0.33 N ATOM 684 CA LEU A 45 -7.988 5.564 5.766 1.00 0.30 C ATOM 685 C LEU A 45 -8.241 4.333 6.638 1.00 0.27 C ATOM 686 O LEU A 45 -9.179 3.593 6.421 1.00 0.26 O ATOM 687 CB LEU A 45 -7.562 5.123 4.368 1.00 0.29 C ATOM 688 CG LEU A 45 -7.076 6.344 3.585 1.00 0.40 C ATOM 689 CD1 LEU A 45 -6.672 5.911 2.174 1.00 0.31 C ATOM 690 CD2 LEU A 45 -8.208 7.368 3.492 1.00 0.47 C ATOM 0 H LEU A 45 -6.027 6.416 5.845 1.00 0.33 H new ATOM 0 HA LEU A 45 -8.904 6.151 5.703 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -6.769 4.378 4.434 1.00 0.29 H new ATOM 0 HB3 LEU A 45 -8.398 4.653 3.851 1.00 0.29 H new ATOM 0 HG LEU A 45 -6.220 6.788 4.093 1.00 0.40 H new ATOM 0 HD11 LEU A 45 -6.325 6.778 1.613 1.00 0.31 H new ATOM 0 HD12 LEU A 45 -5.871 5.174 2.235 1.00 0.31 H new ATOM 0 HD13 LEU A 45 -7.532 5.472 1.668 1.00 0.31 H new ATOM 0 HD21 LEU A 45 -7.865 8.240 2.935 1.00 0.47 H new ATOM 0 HD22 LEU A 45 -9.061 6.922 2.980 1.00 0.47 H new ATOM 0 HD23 LEU A 45 -8.506 7.673 4.495 1.00 0.47 H new ATOM 702 N SER A 46 -7.391 4.143 7.609 1.00 0.26 N ATOM 703 CA SER A 46 -7.556 2.971 8.513 1.00 0.25 C ATOM 704 C SER A 46 -8.971 2.947 9.103 1.00 0.17 C ATOM 705 O SER A 46 -9.528 1.894 9.344 1.00 0.14 O ATOM 706 CB SER A 46 -6.536 3.071 9.646 1.00 0.31 C ATOM 707 OG SER A 46 -6.160 1.725 9.896 1.00 0.67 O ATOM 0 H SER A 46 -6.594 4.745 7.815 1.00 0.26 H new ATOM 0 HA SER A 46 -7.398 2.055 7.944 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.678 3.677 9.357 1.00 0.31 H new ATOM 0 HB3 SER A 46 -6.969 3.535 10.532 1.00 0.31 H new ATOM 0 HG SER A 46 -5.498 1.699 10.618 1.00 0.67 H new ATOM 713 N GLU A 47 -9.521 4.115 9.321 1.00 0.17 N ATOM 714 CA GLU A 47 -10.898 4.189 9.903 1.00 0.20 C ATOM 715 C GLU A 47 -11.928 4.514 8.815 1.00 0.33 C ATOM 716 O GLU A 47 -13.007 3.956 8.793 1.00 0.41 O ATOM 717 CB GLU A 47 -10.925 5.284 10.969 1.00 0.14 C ATOM 718 CG GLU A 47 -10.219 4.781 12.230 1.00 0.24 C ATOM 719 CD GLU A 47 -11.267 4.388 13.274 1.00 1.16 C ATOM 720 OE1 GLU A 47 -11.814 3.310 13.111 1.00 2.28 O ATOM 721 OE2 GLU A 47 -11.461 5.188 14.174 1.00 1.49 O ATOM 0 H GLU A 47 -9.082 5.014 9.124 1.00 0.17 H new ATOM 0 HA GLU A 47 -11.151 3.224 10.343 1.00 0.20 H new ATOM 0 HB2 GLU A 47 -10.432 6.182 10.596 1.00 0.14 H new ATOM 0 HB3 GLU A 47 -11.955 5.558 11.200 1.00 0.14 H new ATOM 0 HG2 GLU A 47 -9.589 3.925 11.991 1.00 0.24 H new ATOM 0 HG3 GLU A 47 -9.565 5.557 12.628 1.00 0.24 H new ATOM 728 N LYS A 48 -11.574 5.411 7.935 1.00 0.40 N ATOM 729 CA LYS A 48 -12.529 5.789 6.850 1.00 0.54 C ATOM 730 C LYS A 48 -12.982 4.550 6.070 1.00 0.56 C ATOM 731 O LYS A 48 -14.142 4.190 6.093 1.00 0.65 O ATOM 732 CB LYS A 48 -11.851 6.765 5.900 1.00 0.60 C ATOM 733 CG LYS A 48 -12.825 7.904 5.591 1.00 0.86 C ATOM 734 CD LYS A 48 -12.989 8.797 6.828 1.00 1.41 C ATOM 735 CE LYS A 48 -12.472 10.199 6.506 1.00 2.69 C ATOM 736 NZ LYS A 48 -13.306 10.830 5.445 1.00 2.07 N ATOM 0 H LYS A 48 -10.676 5.895 7.918 1.00 0.40 H new ATOM 0 HA LYS A 48 -13.405 6.255 7.302 1.00 0.54 H new ATOM 0 HB2 LYS A 48 -10.939 7.159 6.350 1.00 0.60 H new ATOM 0 HB3 LYS A 48 -11.559 6.257 4.981 1.00 0.60 H new ATOM 0 HG2 LYS A 48 -12.455 8.493 4.752 1.00 0.86 H new ATOM 0 HG3 LYS A 48 -13.792 7.498 5.294 1.00 0.86 H new ATOM 0 HD2 LYS A 48 -14.037 8.842 7.123 1.00 1.41 H new ATOM 0 HD3 LYS A 48 -12.438 8.378 7.670 1.00 1.41 H new ATOM 0 HE2 LYS A 48 -12.489 10.815 7.405 1.00 2.69 H new ATOM 0 HE3 LYS A 48 -11.434 10.144 6.177 1.00 2.69 H new ATOM 0 HZ1 LYS A 48 -13.284 11.864 5.555 1.00 2.07 H new ATOM 0 HZ2 LYS A 48 -12.930 10.574 4.510 1.00 2.07 H new ATOM 0 HZ3 LYS A 48 -14.287 10.493 5.528 1.00 2.07 H new ATOM 750 N TYR A 49 -12.056 3.925 5.395 1.00 0.49 N ATOM 751 CA TYR A 49 -12.422 2.714 4.602 1.00 0.51 C ATOM 752 C TYR A 49 -12.143 1.442 5.409 1.00 0.49 C ATOM 753 O TYR A 49 -11.265 0.673 5.076 1.00 0.66 O ATOM 754 CB TYR A 49 -11.597 2.694 3.318 1.00 0.53 C ATOM 755 CG TYR A 49 -12.219 3.656 2.304 1.00 0.57 C ATOM 756 CD1 TYR A 49 -13.322 3.278 1.566 1.00 0.62 C ATOM 757 CD2 TYR A 49 -11.686 4.914 2.114 1.00 0.59 C ATOM 758 CE1 TYR A 49 -13.884 4.146 0.653 1.00 0.68 C ATOM 759 CE2 TYR A 49 -12.248 5.783 1.199 1.00 0.64 C ATOM 760 CZ TYR A 49 -13.352 5.405 0.462 1.00 0.69 C ATOM 761 OH TYR A 49 -13.915 6.274 -0.450 1.00 0.75 O ATOM 0 H TYR A 49 -11.073 4.195 5.357 1.00 0.49 H new ATOM 0 HA TYR A 49 -13.485 2.749 4.364 1.00 0.51 H new ATOM 0 HB2 TYR A 49 -10.568 2.985 3.529 1.00 0.53 H new ATOM 0 HB3 TYR A 49 -11.566 1.685 2.908 1.00 0.53 H new ATOM 0 HD1 TYR A 49 -13.748 2.295 1.704 1.00 0.62 H new ATOM 0 HD2 TYR A 49 -10.823 5.222 2.685 1.00 0.59 H new ATOM 0 HE1 TYR A 49 -14.748 3.838 0.083 1.00 0.68 H new ATOM 0 HE2 TYR A 49 -11.821 6.765 1.059 1.00 0.64 H new ATOM 0 HH TYR A 49 -13.413 7.116 -0.453 1.00 0.75 H new ATOM 771 N SER A 50 -12.901 1.248 6.452 1.00 0.79 N ATOM 772 CA SER A 50 -12.693 0.032 7.291 1.00 0.77 C ATOM 773 C SER A 50 -13.112 -1.223 6.516 1.00 0.69 C ATOM 774 O SER A 50 -12.982 -2.328 7.004 1.00 0.64 O ATOM 775 CB SER A 50 -13.535 0.153 8.561 1.00 0.95 C ATOM 776 OG SER A 50 -14.864 -0.076 8.119 1.00 0.87 O ATOM 0 H SER A 50 -13.648 1.871 6.759 1.00 0.79 H new ATOM 0 HA SER A 50 -11.638 -0.051 7.551 1.00 0.77 H new ATOM 0 HB2 SER A 50 -13.233 -0.578 9.311 1.00 0.95 H new ATOM 0 HB3 SER A 50 -13.430 1.138 9.016 1.00 0.95 H new ATOM 0 HG SER A 50 -15.477 -0.018 8.881 1.00 0.87 H new ATOM 782 N ASN A 51 -13.607 -1.024 5.324 1.00 0.72 N ATOM 783 CA ASN A 51 -14.039 -2.195 4.504 1.00 0.71 C ATOM 784 C ASN A 51 -12.917 -2.615 3.551 1.00 0.52 C ATOM 785 O ASN A 51 -13.075 -3.534 2.772 1.00 0.48 O ATOM 786 CB ASN A 51 -15.277 -1.807 3.698 1.00 0.87 C ATOM 787 CG ASN A 51 -15.983 -3.074 3.211 1.00 0.98 C ATOM 788 OD1 ASN A 51 -16.777 -3.664 3.916 1.00 1.83 O ATOM 789 ND2 ASN A 51 -15.724 -3.525 2.014 1.00 1.09 N ATOM 0 H ASN A 51 -13.731 -0.112 4.885 1.00 0.72 H new ATOM 0 HA ASN A 51 -14.271 -3.032 5.163 1.00 0.71 H new ATOM 0 HB2 ASN A 51 -15.954 -1.214 4.313 1.00 0.87 H new ATOM 0 HB3 ASN A 51 -14.992 -1.187 2.848 1.00 0.87 H new ATOM 0 HD21 ASN A 51 -16.187 -4.368 1.675 1.00 1.09 H new ATOM 0 HD22 ASN A 51 -15.058 -3.034 1.417 1.00 1.09 H new ATOM 796 N VAL A 52 -11.807 -1.927 3.636 1.00 0.46 N ATOM 797 CA VAL A 52 -10.650 -2.260 2.747 1.00 0.28 C ATOM 798 C VAL A 52 -9.388 -2.465 3.588 1.00 0.25 C ATOM 799 O VAL A 52 -9.272 -1.926 4.672 1.00 0.28 O ATOM 800 CB VAL A 52 -10.423 -1.104 1.775 1.00 0.21 C ATOM 801 CG1 VAL A 52 -9.424 -1.534 0.699 1.00 0.10 C ATOM 802 CG2 VAL A 52 -11.750 -0.736 1.112 1.00 0.29 C ATOM 0 H VAL A 52 -11.651 -1.151 4.280 1.00 0.46 H new ATOM 0 HA VAL A 52 -10.867 -3.176 2.198 1.00 0.28 H new ATOM 0 HB VAL A 52 -10.030 -0.243 2.316 1.00 0.21 H new ATOM 0 HG11 VAL A 52 -9.261 -0.710 0.004 1.00 0.10 H new ATOM 0 HG12 VAL A 52 -8.478 -1.806 1.168 1.00 0.10 H new ATOM 0 HG13 VAL A 52 -9.820 -2.393 0.157 1.00 0.10 H new ATOM 0 HG21 VAL A 52 -11.593 0.089 0.417 1.00 0.29 H new ATOM 0 HG22 VAL A 52 -12.137 -1.599 0.570 1.00 0.29 H new ATOM 0 HG23 VAL A 52 -12.467 -0.436 1.876 1.00 0.29 H new ATOM 812 N ILE A 53 -8.465 -3.236 3.070 1.00 0.19 N ATOM 813 CA ILE A 53 -7.205 -3.482 3.832 1.00 0.16 C ATOM 814 C ILE A 53 -6.087 -2.594 3.285 1.00 0.12 C ATOM 815 O ILE A 53 -6.032 -2.320 2.098 1.00 0.16 O ATOM 816 CB ILE A 53 -6.819 -4.955 3.704 1.00 0.16 C ATOM 817 CG1 ILE A 53 -7.707 -5.781 4.640 1.00 0.49 C ATOM 818 CG2 ILE A 53 -5.358 -5.134 4.110 1.00 0.37 C ATOM 819 CD1 ILE A 53 -8.038 -7.116 3.974 1.00 0.69 C ATOM 0 H ILE A 53 -8.528 -3.700 2.164 1.00 0.19 H new ATOM 0 HA ILE A 53 -7.359 -3.241 4.884 1.00 0.16 H new ATOM 0 HB ILE A 53 -6.953 -5.285 2.674 1.00 0.16 H new ATOM 0 HG12 ILE A 53 -7.197 -5.951 5.588 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -8.624 -5.236 4.865 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -5.081 -6.184 4.019 1.00 0.37 H new ATOM 0 HG22 ILE A 53 -4.723 -4.534 3.458 1.00 0.37 H new ATOM 0 HG23 ILE A 53 -5.225 -4.812 5.143 1.00 0.37 H new ATOM 0 HD11 ILE A 53 -8.670 -7.707 4.637 1.00 0.69 H new ATOM 0 HD12 ILE A 53 -8.565 -6.935 3.037 1.00 0.69 H new ATOM 0 HD13 ILE A 53 -7.116 -7.660 3.772 1.00 0.69 H new ATOM 831 N PHE A 54 -5.219 -2.167 4.164 1.00 0.12 N ATOM 832 CA PHE A 54 -4.109 -1.268 3.733 1.00 0.14 C ATOM 833 C PHE A 54 -2.766 -1.744 4.295 1.00 0.15 C ATOM 834 O PHE A 54 -2.652 -2.025 5.468 1.00 0.18 O ATOM 835 CB PHE A 54 -4.406 0.130 4.264 1.00 0.18 C ATOM 836 CG PHE A 54 -5.726 0.623 3.667 1.00 0.17 C ATOM 837 CD1 PHE A 54 -5.760 1.192 2.407 1.00 0.19 C ATOM 838 CD2 PHE A 54 -6.905 0.502 4.382 1.00 0.21 C ATOM 839 CE1 PHE A 54 -6.952 1.637 1.873 1.00 0.17 C ATOM 840 CE2 PHE A 54 -8.096 0.948 3.844 1.00 0.22 C ATOM 841 CZ PHE A 54 -8.118 1.515 2.592 1.00 0.16 C ATOM 0 H PHE A 54 -5.230 -2.401 5.157 1.00 0.12 H new ATOM 0 HA PHE A 54 -4.042 -1.272 2.645 1.00 0.14 H new ATOM 0 HB2 PHE A 54 -4.468 0.113 5.352 1.00 0.18 H new ATOM 0 HB3 PHE A 54 -3.597 0.812 4.002 1.00 0.18 H new ATOM 0 HD1 PHE A 54 -4.848 1.289 1.837 1.00 0.19 H new ATOM 0 HD2 PHE A 54 -6.893 0.056 5.366 1.00 0.21 H new ATOM 0 HE1 PHE A 54 -6.969 2.082 0.889 1.00 0.17 H new ATOM 0 HE2 PHE A 54 -9.012 0.851 4.408 1.00 0.22 H new ATOM 0 HZ PHE A 54 -9.050 1.864 2.173 1.00 0.16 H new ATOM 851 N LEU A 55 -1.781 -1.835 3.434 1.00 0.22 N ATOM 852 CA LEU A 55 -0.426 -2.267 3.901 1.00 0.24 C ATOM 853 C LEU A 55 0.520 -1.063 3.887 1.00 0.15 C ATOM 854 O LEU A 55 0.180 0.000 3.400 1.00 0.29 O ATOM 855 CB LEU A 55 0.142 -3.341 2.965 1.00 0.31 C ATOM 856 CG LEU A 55 -0.540 -4.694 3.205 1.00 0.61 C ATOM 857 CD1 LEU A 55 -2.046 -4.569 2.981 1.00 0.91 C ATOM 858 CD2 LEU A 55 0.017 -5.710 2.205 1.00 0.66 C ATOM 0 H LEU A 55 -1.855 -1.631 2.437 1.00 0.22 H new ATOM 0 HA LEU A 55 -0.516 -2.672 4.909 1.00 0.24 H new ATOM 0 HB2 LEU A 55 0.000 -3.037 1.928 1.00 0.31 H new ATOM 0 HB3 LEU A 55 1.216 -3.437 3.125 1.00 0.31 H new ATOM 0 HG LEU A 55 -0.350 -5.015 4.229 1.00 0.61 H new ATOM 0 HD11 LEU A 55 -2.521 -5.535 3.154 1.00 0.91 H new ATOM 0 HD12 LEU A 55 -2.457 -3.834 3.673 1.00 0.91 H new ATOM 0 HD13 LEU A 55 -2.236 -4.249 1.956 1.00 0.91 H new ATOM 0 HD21 LEU A 55 -0.460 -6.677 2.365 1.00 0.66 H new ATOM 0 HD22 LEU A 55 -0.185 -5.369 1.189 1.00 0.66 H new ATOM 0 HD23 LEU A 55 1.093 -5.808 2.347 1.00 0.66 H new ATOM 870 N GLU A 56 1.690 -1.267 4.399 1.00 0.30 N ATOM 871 CA GLU A 56 2.687 -0.161 4.441 1.00 0.26 C ATOM 872 C GLU A 56 4.096 -0.751 4.313 1.00 0.22 C ATOM 873 O GLU A 56 4.596 -1.358 5.241 1.00 0.28 O ATOM 874 CB GLU A 56 2.558 0.565 5.778 1.00 0.44 C ATOM 875 CG GLU A 56 3.222 1.940 5.687 1.00 0.35 C ATOM 876 CD GLU A 56 4.736 1.769 5.527 1.00 1.79 C ATOM 877 OE1 GLU A 56 5.319 1.223 6.450 1.00 2.48 O ATOM 878 OE2 GLU A 56 5.222 2.194 4.493 1.00 2.87 O ATOM 0 H GLU A 56 2.007 -2.153 4.793 1.00 0.30 H new ATOM 0 HA GLU A 56 2.510 0.537 3.623 1.00 0.26 H new ATOM 0 HB2 GLU A 56 1.506 0.676 6.042 1.00 0.44 H new ATOM 0 HB3 GLU A 56 3.025 -0.023 6.568 1.00 0.44 H new ATOM 0 HG2 GLU A 56 2.817 2.495 4.841 1.00 0.35 H new ATOM 0 HG3 GLU A 56 3.004 2.521 6.583 1.00 0.35 H new ATOM 885 N VAL A 57 4.708 -0.561 3.174 1.00 0.14 N ATOM 886 CA VAL A 57 6.080 -1.132 2.975 1.00 0.14 C ATOM 887 C VAL A 57 7.153 -0.050 3.114 1.00 0.12 C ATOM 888 O VAL A 57 7.000 1.051 2.621 1.00 0.06 O ATOM 889 CB VAL A 57 6.172 -1.751 1.583 1.00 0.12 C ATOM 890 CG1 VAL A 57 7.634 -2.092 1.289 1.00 0.27 C ATOM 891 CG2 VAL A 57 5.337 -3.031 1.543 1.00 0.26 C ATOM 0 H VAL A 57 4.328 -0.044 2.381 1.00 0.14 H new ATOM 0 HA VAL A 57 6.251 -1.890 3.740 1.00 0.14 H new ATOM 0 HB VAL A 57 5.797 -1.049 0.839 1.00 0.12 H new ATOM 0 HG11 VAL A 57 7.712 -2.535 0.296 1.00 0.27 H new ATOM 0 HG12 VAL A 57 8.235 -1.183 1.329 1.00 0.27 H new ATOM 0 HG13 VAL A 57 7.999 -2.801 2.032 1.00 0.27 H new ATOM 0 HG21 VAL A 57 5.400 -3.476 0.550 1.00 0.26 H new ATOM 0 HG22 VAL A 57 5.717 -3.737 2.282 1.00 0.26 H new ATOM 0 HG23 VAL A 57 4.297 -2.794 1.769 1.00 0.26 H new ATOM 901 N ASP A 58 8.221 -0.398 3.785 1.00 0.17 N ATOM 902 CA ASP A 58 9.335 0.574 3.963 1.00 0.16 C ATOM 903 C ASP A 58 10.473 0.233 2.994 1.00 0.16 C ATOM 904 O ASP A 58 11.131 -0.778 3.138 1.00 0.17 O ATOM 905 CB ASP A 58 9.846 0.486 5.400 1.00 0.16 C ATOM 906 CG ASP A 58 10.791 1.657 5.675 1.00 0.13 C ATOM 907 OD1 ASP A 58 10.903 2.484 4.784 1.00 1.07 O ATOM 908 OD2 ASP A 58 11.350 1.659 6.759 1.00 0.92 O ATOM 0 H ASP A 58 8.367 -1.311 4.215 1.00 0.17 H new ATOM 0 HA ASP A 58 8.979 1.584 3.758 1.00 0.16 H new ATOM 0 HB2 ASP A 58 9.009 0.508 6.098 1.00 0.16 H new ATOM 0 HB3 ASP A 58 10.366 -0.459 5.556 1.00 0.16 H new ATOM 913 N VAL A 59 10.679 1.083 2.029 1.00 0.16 N ATOM 914 CA VAL A 59 11.761 0.817 1.036 1.00 0.16 C ATOM 915 C VAL A 59 13.143 0.958 1.689 1.00 0.17 C ATOM 916 O VAL A 59 14.148 1.018 1.007 1.00 0.30 O ATOM 917 CB VAL A 59 11.637 1.816 -0.111 1.00 0.16 C ATOM 918 CG1 VAL A 59 10.337 1.548 -0.871 1.00 0.21 C ATOM 919 CG2 VAL A 59 11.600 3.233 0.460 1.00 0.14 C ATOM 0 H VAL A 59 10.152 1.944 1.883 1.00 0.16 H new ATOM 0 HA VAL A 59 11.657 -0.202 0.662 1.00 0.16 H new ATOM 0 HB VAL A 59 12.487 1.712 -0.785 1.00 0.16 H new ATOM 0 HG11 VAL A 59 10.242 2.259 -1.692 1.00 0.21 H new ATOM 0 HG12 VAL A 59 10.351 0.533 -1.269 1.00 0.21 H new ATOM 0 HG13 VAL A 59 9.490 1.661 -0.194 1.00 0.21 H new ATOM 0 HG21 VAL A 59 11.511 3.951 -0.355 1.00 0.14 H new ATOM 0 HG22 VAL A 59 10.744 3.334 1.127 1.00 0.14 H new ATOM 0 HG23 VAL A 59 12.518 3.426 1.015 1.00 0.14 H new ATOM 929 N ASP A 60 13.166 1.003 2.993 1.00 0.19 N ATOM 930 CA ASP A 60 14.475 1.137 3.698 1.00 0.22 C ATOM 931 C ASP A 60 14.988 -0.242 4.132 1.00 0.35 C ATOM 932 O ASP A 60 16.111 -0.606 3.841 1.00 0.48 O ATOM 933 CB ASP A 60 14.292 2.023 4.929 1.00 0.05 C ATOM 934 CG ASP A 60 15.649 2.597 5.344 1.00 0.35 C ATOM 935 OD1 ASP A 60 16.131 3.436 4.601 1.00 1.19 O ATOM 936 OD2 ASP A 60 16.126 2.164 6.381 1.00 0.47 O ATOM 0 H ASP A 60 12.345 0.954 3.597 1.00 0.19 H new ATOM 0 HA ASP A 60 15.202 1.586 3.021 1.00 0.22 H new ATOM 0 HB2 ASP A 60 13.594 2.831 4.709 1.00 0.05 H new ATOM 0 HB3 ASP A 60 13.863 1.445 5.747 1.00 0.05 H new ATOM 941 N ASP A 61 14.149 -0.978 4.819 1.00 0.37 N ATOM 942 CA ASP A 61 14.568 -2.337 5.289 1.00 0.56 C ATOM 943 C ASP A 61 13.910 -3.427 4.435 1.00 0.57 C ATOM 944 O ASP A 61 14.381 -4.547 4.387 1.00 0.87 O ATOM 945 CB ASP A 61 14.143 -2.512 6.746 1.00 0.64 C ATOM 946 CG ASP A 61 14.190 -3.997 7.111 1.00 0.76 C ATOM 947 OD1 ASP A 61 15.299 -4.499 7.197 1.00 1.43 O ATOM 948 OD2 ASP A 61 13.115 -4.547 7.283 1.00 0.80 O ATOM 0 H ASP A 61 13.201 -0.701 5.073 1.00 0.37 H new ATOM 0 HA ASP A 61 15.650 -2.427 5.198 1.00 0.56 H new ATOM 0 HB2 ASP A 61 14.804 -1.944 7.400 1.00 0.64 H new ATOM 0 HB3 ASP A 61 13.136 -2.121 6.893 1.00 0.64 H new ATOM 953 N CYS A 62 12.836 -3.077 3.778 1.00 0.25 N ATOM 954 CA CYS A 62 12.133 -4.085 2.925 1.00 0.25 C ATOM 955 C CYS A 62 12.530 -3.905 1.457 1.00 0.27 C ATOM 956 O CYS A 62 11.730 -4.118 0.566 1.00 0.32 O ATOM 957 CB CYS A 62 10.626 -3.898 3.070 1.00 0.32 C ATOM 958 SG CYS A 62 10.015 -3.250 4.646 1.00 0.47 S ATOM 0 H CYS A 62 12.417 -2.147 3.793 1.00 0.25 H new ATOM 0 HA CYS A 62 12.417 -5.087 3.247 1.00 0.25 H new ATOM 0 HB2 CYS A 62 10.292 -3.228 2.278 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.148 -4.862 2.894 1.00 0.32 H new ATOM 0 HG CYS A 62 8.719 -3.348 4.683 1.00 0.47 H new ATOM 964 N GLN A 63 13.753 -3.518 1.237 1.00 0.25 N ATOM 965 CA GLN A 63 14.216 -3.317 -0.162 1.00 0.30 C ATOM 966 C GLN A 63 13.946 -4.573 -0.993 1.00 0.26 C ATOM 967 O GLN A 63 13.977 -4.538 -2.207 1.00 0.29 O ATOM 968 CB GLN A 63 15.714 -3.020 -0.157 1.00 0.32 C ATOM 969 CG GLN A 63 15.942 -1.611 0.395 1.00 0.73 C ATOM 970 CD GLN A 63 17.443 -1.365 0.545 1.00 0.91 C ATOM 971 OE1 GLN A 63 18.081 -1.876 1.444 1.00 1.29 O ATOM 972 NE2 GLN A 63 18.047 -0.590 -0.315 1.00 1.73 N ATOM 0 H GLN A 63 14.448 -3.333 1.960 1.00 0.25 H new ATOM 0 HA GLN A 63 13.674 -2.480 -0.602 1.00 0.30 H new ATOM 0 HB2 GLN A 63 16.241 -3.753 0.454 1.00 0.32 H new ATOM 0 HB3 GLN A 63 16.116 -3.098 -1.167 1.00 0.32 H new ATOM 0 HG2 GLN A 63 15.505 -0.870 -0.275 1.00 0.73 H new ATOM 0 HG3 GLN A 63 15.445 -1.501 1.359 1.00 0.73 H new ATOM 0 HE21 GLN A 63 17.517 -0.158 -1.072 1.00 1.73 H new ATOM 0 HE22 GLN A 63 19.049 -0.417 -0.230 1.00 1.73 H new ATOM 981 N ASP A 64 13.685 -5.657 -0.318 1.00 0.20 N ATOM 982 CA ASP A 64 13.411 -6.922 -1.046 1.00 0.16 C ATOM 983 C ASP A 64 12.031 -6.866 -1.692 1.00 0.14 C ATOM 984 O ASP A 64 11.886 -7.049 -2.884 1.00 0.25 O ATOM 985 CB ASP A 64 13.473 -8.092 -0.065 1.00 0.16 C ATOM 986 CG ASP A 64 12.675 -7.742 1.192 1.00 0.14 C ATOM 987 OD1 ASP A 64 13.144 -6.871 1.905 1.00 0.82 O ATOM 988 OD2 ASP A 64 11.642 -8.366 1.368 1.00 0.83 O ATOM 0 H ASP A 64 13.650 -5.720 0.699 1.00 0.20 H new ATOM 0 HA ASP A 64 14.160 -7.057 -1.826 1.00 0.16 H new ATOM 0 HB2 ASP A 64 13.067 -8.991 -0.528 1.00 0.16 H new ATOM 0 HB3 ASP A 64 14.509 -8.308 0.197 1.00 0.16 H new ATOM 993 N VAL A 65 11.049 -6.613 -0.887 1.00 0.17 N ATOM 994 CA VAL A 65 9.666 -6.531 -1.419 1.00 0.15 C ATOM 995 C VAL A 65 9.574 -5.431 -2.468 1.00 0.15 C ATOM 996 O VAL A 65 8.971 -5.604 -3.508 1.00 0.19 O ATOM 997 CB VAL A 65 8.717 -6.226 -0.278 1.00 0.13 C ATOM 998 CG1 VAL A 65 7.285 -6.542 -0.715 1.00 0.16 C ATOM 999 CG2 VAL A 65 9.082 -7.092 0.928 1.00 0.12 C ATOM 0 H VAL A 65 11.141 -6.459 0.117 1.00 0.17 H new ATOM 0 HA VAL A 65 9.398 -7.481 -1.881 1.00 0.15 H new ATOM 0 HB VAL A 65 8.793 -5.173 -0.008 1.00 0.13 H new ATOM 0 HG11 VAL A 65 6.598 -6.324 0.103 1.00 0.16 H new ATOM 0 HG12 VAL A 65 7.025 -5.931 -1.579 1.00 0.16 H new ATOM 0 HG13 VAL A 65 7.210 -7.597 -0.980 1.00 0.16 H new ATOM 0 HG21 VAL A 65 8.401 -6.875 1.751 1.00 0.12 H new ATOM 0 HG22 VAL A 65 9.001 -8.145 0.658 1.00 0.12 H new ATOM 0 HG23 VAL A 65 10.105 -6.874 1.236 1.00 0.12 H new ATOM 1009 N ALA A 66 10.176 -4.323 -2.170 1.00 0.13 N ATOM 1010 CA ALA A 66 10.148 -3.193 -3.129 1.00 0.13 C ATOM 1011 C ALA A 66 10.757 -3.633 -4.454 1.00 0.15 C ATOM 1012 O ALA A 66 10.185 -3.440 -5.507 1.00 0.20 O ATOM 1013 CB ALA A 66 10.951 -2.026 -2.557 1.00 0.16 C ATOM 0 H ALA A 66 10.687 -4.149 -1.304 1.00 0.13 H new ATOM 0 HA ALA A 66 9.117 -2.879 -3.294 1.00 0.13 H new ATOM 0 HB1 ALA A 66 10.933 -1.193 -3.260 1.00 0.16 H new ATOM 0 HB2 ALA A 66 10.512 -1.712 -1.610 1.00 0.16 H new ATOM 0 HB3 ALA A 66 11.982 -2.340 -2.393 1.00 0.16 H new ATOM 1019 N SER A 67 11.906 -4.222 -4.365 1.00 0.13 N ATOM 1020 CA SER A 67 12.586 -4.696 -5.598 1.00 0.15 C ATOM 1021 C SER A 67 11.720 -5.748 -6.294 1.00 0.15 C ATOM 1022 O SER A 67 11.975 -6.122 -7.421 1.00 0.18 O ATOM 1023 CB SER A 67 13.937 -5.308 -5.227 1.00 0.19 C ATOM 1024 OG SER A 67 14.708 -4.201 -4.782 1.00 1.14 O ATOM 0 H SER A 67 12.407 -4.398 -3.494 1.00 0.13 H new ATOM 0 HA SER A 67 12.739 -3.855 -6.274 1.00 0.15 H new ATOM 0 HB2 SER A 67 13.833 -6.061 -4.446 1.00 0.19 H new ATOM 0 HB3 SER A 67 14.401 -5.799 -6.083 1.00 0.19 H new ATOM 0 HG SER A 67 14.544 -4.051 -3.828 1.00 1.14 H new ATOM 1030 N GLU A 68 10.715 -6.200 -5.600 1.00 0.12 N ATOM 1031 CA GLU A 68 9.815 -7.219 -6.191 1.00 0.14 C ATOM 1032 C GLU A 68 8.800 -6.546 -7.107 1.00 0.16 C ATOM 1033 O GLU A 68 8.388 -7.100 -8.106 1.00 0.21 O ATOM 1034 CB GLU A 68 9.084 -7.955 -5.069 1.00 0.12 C ATOM 1035 CG GLU A 68 8.899 -9.418 -5.467 1.00 0.33 C ATOM 1036 CD GLU A 68 8.167 -9.488 -6.809 1.00 1.21 C ATOM 1037 OE1 GLU A 68 6.955 -9.354 -6.771 1.00 1.61 O ATOM 1038 OE2 GLU A 68 8.860 -9.671 -7.795 1.00 2.46 O ATOM 0 H GLU A 68 10.480 -5.907 -4.652 1.00 0.12 H new ATOM 0 HA GLU A 68 10.403 -7.928 -6.773 1.00 0.14 H new ATOM 0 HB2 GLU A 68 9.653 -7.887 -4.142 1.00 0.12 H new ATOM 0 HB3 GLU A 68 8.115 -7.491 -4.884 1.00 0.12 H new ATOM 0 HG2 GLU A 68 9.868 -9.912 -5.542 1.00 0.33 H new ATOM 0 HG3 GLU A 68 8.330 -9.946 -4.702 1.00 0.33 H new ATOM 1045 N CYS A 69 8.423 -5.362 -6.741 1.00 0.14 N ATOM 1046 CA CYS A 69 7.440 -4.612 -7.571 1.00 0.17 C ATOM 1047 C CYS A 69 8.181 -3.781 -8.620 1.00 0.21 C ATOM 1048 O CYS A 69 7.576 -3.188 -9.491 1.00 0.29 O ATOM 1049 CB CYS A 69 6.626 -3.688 -6.669 1.00 0.13 C ATOM 1050 SG CYS A 69 5.299 -4.436 -5.692 1.00 0.16 S ATOM 0 H CYS A 69 8.749 -4.877 -5.905 1.00 0.14 H new ATOM 0 HA CYS A 69 6.775 -5.314 -8.074 1.00 0.17 H new ATOM 0 HB2 CYS A 69 7.314 -3.196 -5.982 1.00 0.13 H new ATOM 0 HB3 CYS A 69 6.187 -2.909 -7.293 1.00 0.13 H new ATOM 0 HG CYS A 69 5.255 -3.876 -4.520 1.00 0.16 H new ATOM 1056 N GLU A 70 9.480 -3.759 -8.509 1.00 0.19 N ATOM 1057 CA GLU A 70 10.291 -2.977 -9.486 1.00 0.24 C ATOM 1058 C GLU A 70 9.986 -1.484 -9.357 1.00 0.20 C ATOM 1059 O GLU A 70 9.794 -0.801 -10.344 1.00 0.26 O ATOM 1060 CB GLU A 70 9.961 -3.445 -10.902 1.00 0.37 C ATOM 1061 CG GLU A 70 11.169 -3.198 -11.804 1.00 0.85 C ATOM 1062 CD GLU A 70 10.794 -3.519 -13.253 1.00 1.11 C ATOM 1063 OE1 GLU A 70 9.635 -3.840 -13.453 1.00 1.46 O ATOM 1064 OE2 GLU A 70 11.688 -3.424 -14.078 1.00 1.87 O ATOM 0 H GLU A 70 10.014 -4.245 -7.789 1.00 0.19 H new ATOM 0 HA GLU A 70 11.349 -3.137 -9.279 1.00 0.24 H new ATOM 0 HB2 GLU A 70 9.705 -4.505 -10.898 1.00 0.37 H new ATOM 0 HB3 GLU A 70 9.092 -2.909 -11.282 1.00 0.37 H new ATOM 0 HG2 GLU A 70 11.492 -2.160 -11.722 1.00 0.85 H new ATOM 0 HG3 GLU A 70 12.007 -3.819 -11.487 1.00 0.85 H new ATOM 1071 N VAL A 71 9.947 -1.007 -8.145 1.00 0.11 N ATOM 1072 CA VAL A 71 9.658 0.444 -7.945 1.00 0.10 C ATOM 1073 C VAL A 71 10.948 1.261 -8.038 1.00 0.13 C ATOM 1074 O VAL A 71 12.021 0.773 -7.743 1.00 0.22 O ATOM 1075 CB VAL A 71 9.035 0.654 -6.570 1.00 0.16 C ATOM 1076 CG1 VAL A 71 7.955 1.727 -6.665 1.00 0.17 C ATOM 1077 CG2 VAL A 71 8.402 -0.657 -6.097 1.00 0.18 C ATOM 0 H VAL A 71 10.100 -1.548 -7.294 1.00 0.11 H new ATOM 0 HA VAL A 71 8.968 0.774 -8.722 1.00 0.10 H new ATOM 0 HB VAL A 71 9.803 0.968 -5.863 1.00 0.16 H new ATOM 0 HG11 VAL A 71 7.507 1.880 -5.683 1.00 0.17 H new ATOM 0 HG12 VAL A 71 8.399 2.660 -7.011 1.00 0.17 H new ATOM 0 HG13 VAL A 71 7.186 1.408 -7.369 1.00 0.17 H new ATOM 0 HG21 VAL A 71 7.955 -0.511 -5.114 1.00 0.18 H new ATOM 0 HG22 VAL A 71 7.631 -0.965 -6.804 1.00 0.18 H new ATOM 0 HG23 VAL A 71 9.168 -1.430 -6.036 1.00 0.18 H new ATOM 1087 N LYS A 72 10.810 2.491 -8.441 1.00 0.08 N ATOM 1088 CA LYS A 72 12.011 3.370 -8.561 1.00 0.13 C ATOM 1089 C LYS A 72 11.649 4.795 -8.136 1.00 0.09 C ATOM 1090 O LYS A 72 12.309 5.745 -8.507 1.00 0.07 O ATOM 1091 CB LYS A 72 12.487 3.379 -10.016 1.00 0.17 C ATOM 1092 CG LYS A 72 13.968 2.966 -10.074 1.00 0.51 C ATOM 1093 CD LYS A 72 14.121 1.500 -9.637 1.00 2.25 C ATOM 1094 CE LYS A 72 15.205 0.836 -10.489 1.00 2.36 C ATOM 1095 NZ LYS A 72 16.483 1.597 -10.391 1.00 2.44 N ATOM 0 H LYS A 72 9.923 2.927 -8.692 1.00 0.08 H new ATOM 0 HA LYS A 72 12.805 2.991 -7.917 1.00 0.13 H new ATOM 0 HB2 LYS A 72 11.884 2.694 -10.611 1.00 0.17 H new ATOM 0 HB3 LYS A 72 12.358 4.372 -10.446 1.00 0.17 H new ATOM 0 HG2 LYS A 72 14.351 3.094 -11.086 1.00 0.51 H new ATOM 0 HG3 LYS A 72 14.560 3.611 -9.425 1.00 0.51 H new ATOM 0 HD2 LYS A 72 14.387 1.448 -8.581 1.00 2.25 H new ATOM 0 HD3 LYS A 72 13.175 0.972 -9.753 1.00 2.25 H new ATOM 0 HE2 LYS A 72 15.359 -0.191 -10.157 1.00 2.36 H new ATOM 0 HE3 LYS A 72 14.881 0.789 -11.529 1.00 2.36 H new ATOM 0 HZ1 LYS A 72 17.266 1.008 -10.740 1.00 2.44 H new ATOM 0 HZ2 LYS A 72 16.418 2.461 -10.966 1.00 2.44 H new ATOM 0 HZ3 LYS A 72 16.659 1.854 -9.399 1.00 2.44 H new ATOM 1109 N CYS A 73 10.603 4.909 -7.361 1.00 0.12 N ATOM 1110 CA CYS A 73 10.173 6.264 -6.904 1.00 0.13 C ATOM 1111 C CYS A 73 9.084 6.139 -5.842 1.00 0.15 C ATOM 1112 O CYS A 73 8.170 5.349 -5.979 1.00 0.27 O ATOM 1113 CB CYS A 73 9.632 7.048 -8.099 1.00 0.23 C ATOM 1114 SG CYS A 73 8.130 6.422 -8.895 1.00 0.87 S ATOM 0 H CYS A 73 10.033 4.132 -7.027 1.00 0.12 H new ATOM 0 HA CYS A 73 11.028 6.786 -6.474 1.00 0.13 H new ATOM 0 HB2 CYS A 73 9.439 8.070 -7.772 1.00 0.23 H new ATOM 0 HB3 CYS A 73 10.417 7.097 -8.853 1.00 0.23 H new ATOM 0 HG CYS A 73 7.475 5.674 -8.058 1.00 0.87 H new ATOM 1120 N THR A 74 9.212 6.925 -4.804 1.00 0.14 N ATOM 1121 CA THR A 74 8.202 6.883 -3.707 1.00 0.13 C ATOM 1122 C THR A 74 7.542 8.273 -3.564 1.00 0.16 C ATOM 1123 O THR A 74 8.144 9.274 -3.903 1.00 0.18 O ATOM 1124 CB THR A 74 8.925 6.521 -2.402 1.00 0.09 C ATOM 1125 OG1 THR A 74 10.140 7.265 -2.445 1.00 0.07 O ATOM 1126 CG2 THR A 74 9.353 5.058 -2.391 1.00 0.09 C ATOM 0 H THR A 74 9.971 7.593 -4.670 1.00 0.14 H new ATOM 0 HA THR A 74 7.432 6.144 -3.928 1.00 0.13 H new ATOM 0 HB THR A 74 8.277 6.719 -1.548 1.00 0.09 H new ATOM 0 HG1 THR A 74 10.662 7.086 -1.635 1.00 0.07 H new ATOM 0 HG21 THR A 74 9.862 4.835 -1.453 1.00 0.09 H new ATOM 0 HG22 THR A 74 8.474 4.421 -2.487 1.00 0.09 H new ATOM 0 HG23 THR A 74 10.030 4.871 -3.225 1.00 0.09 H new ATOM 1134 N PRO A 75 6.313 8.318 -3.065 1.00 0.18 N ATOM 1135 CA PRO A 75 5.527 7.132 -2.657 1.00 0.16 C ATOM 1136 C PRO A 75 4.914 6.433 -3.887 1.00 0.16 C ATOM 1137 O PRO A 75 4.635 7.071 -4.891 1.00 0.18 O ATOM 1138 CB PRO A 75 4.405 7.694 -1.783 1.00 0.19 C ATOM 1139 CG PRO A 75 4.402 9.241 -1.981 1.00 0.22 C ATOM 1140 CD PRO A 75 5.645 9.596 -2.823 1.00 0.22 C ATOM 0 HA PRO A 75 6.144 6.396 -2.141 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.444 7.267 -2.068 1.00 0.19 H new ATOM 0 HB3 PRO A 75 4.568 7.440 -0.736 1.00 0.19 H new ATOM 0 HG2 PRO A 75 3.491 9.562 -2.486 1.00 0.22 H new ATOM 0 HG3 PRO A 75 4.431 9.752 -1.019 1.00 0.22 H new ATOM 0 HD2 PRO A 75 5.363 10.078 -3.759 1.00 0.22 H new ATOM 0 HD3 PRO A 75 6.298 10.289 -2.291 1.00 0.22 H new ATOM 1148 N THR A 76 4.714 5.140 -3.777 1.00 0.13 N ATOM 1149 CA THR A 76 4.112 4.382 -4.916 1.00 0.13 C ATOM 1150 C THR A 76 2.958 3.517 -4.402 1.00 0.11 C ATOM 1151 O THR A 76 3.121 2.747 -3.478 1.00 0.13 O ATOM 1152 CB THR A 76 5.182 3.498 -5.560 1.00 0.12 C ATOM 1153 OG1 THR A 76 6.019 4.403 -6.273 1.00 0.16 O ATOM 1154 CG2 THR A 76 4.589 2.576 -6.624 1.00 0.16 C ATOM 0 H THR A 76 4.940 4.582 -2.953 1.00 0.13 H new ATOM 0 HA THR A 76 3.729 5.081 -5.660 1.00 0.13 H new ATOM 0 HB THR A 76 5.674 2.897 -4.795 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.791 4.641 -5.718 1.00 0.16 H new ATOM 0 HG21 THR A 76 5.380 1.965 -7.058 1.00 0.16 H new ATOM 0 HG22 THR A 76 3.839 1.929 -6.168 1.00 0.16 H new ATOM 0 HG23 THR A 76 4.124 3.175 -7.406 1.00 0.16 H new ATOM 1162 N PHE A 77 1.816 3.666 -5.015 1.00 0.09 N ATOM 1163 CA PHE A 77 0.632 2.876 -4.567 1.00 0.09 C ATOM 1164 C PHE A 77 0.406 1.671 -5.477 1.00 0.07 C ATOM 1165 O PHE A 77 0.469 1.783 -6.686 1.00 0.05 O ATOM 1166 CB PHE A 77 -0.597 3.771 -4.614 1.00 0.09 C ATOM 1167 CG PHE A 77 -0.539 4.745 -3.445 1.00 0.09 C ATOM 1168 CD1 PHE A 77 -0.677 4.283 -2.152 1.00 0.04 C ATOM 1169 CD2 PHE A 77 -0.347 6.098 -3.662 1.00 0.14 C ATOM 1170 CE1 PHE A 77 -0.626 5.160 -1.089 1.00 0.03 C ATOM 1171 CE2 PHE A 77 -0.294 6.973 -2.598 1.00 0.13 C ATOM 1172 CZ PHE A 77 -0.433 6.505 -1.313 1.00 0.07 C ATOM 0 H PHE A 77 1.651 4.295 -5.801 1.00 0.09 H new ATOM 0 HA PHE A 77 0.810 2.517 -3.553 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.632 4.315 -5.558 1.00 0.09 H new ATOM 0 HB3 PHE A 77 -1.504 3.169 -4.560 1.00 0.09 H new ATOM 0 HD1 PHE A 77 -0.826 3.229 -1.972 1.00 0.04 H new ATOM 0 HD2 PHE A 77 -0.238 6.470 -4.670 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.738 4.792 -0.080 1.00 0.03 H new ATOM 0 HE2 PHE A 77 -0.143 8.028 -2.774 1.00 0.13 H new ATOM 0 HZ PHE A 77 -0.391 7.191 -0.480 1.00 0.07 H new ATOM 1182 N GLN A 78 0.148 0.542 -4.870 1.00 0.07 N ATOM 1183 CA GLN A 78 -0.105 -0.698 -5.676 1.00 0.06 C ATOM 1184 C GLN A 78 -1.422 -1.356 -5.240 1.00 0.08 C ATOM 1185 O GLN A 78 -1.829 -1.238 -4.103 1.00 0.09 O ATOM 1186 CB GLN A 78 1.047 -1.672 -5.465 1.00 0.04 C ATOM 1187 CG GLN A 78 2.334 -1.076 -6.051 1.00 0.54 C ATOM 1188 CD GLN A 78 2.755 -1.870 -7.292 1.00 0.81 C ATOM 1189 OE1 GLN A 78 1.938 -2.432 -7.992 1.00 1.65 O ATOM 1190 NE2 GLN A 78 4.020 -1.942 -7.595 1.00 1.04 N ATOM 0 H GLN A 78 0.101 0.421 -3.858 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.179 -0.433 -6.731 1.00 0.06 H new ATOM 0 HB2 GLN A 78 1.178 -1.873 -4.402 1.00 0.04 H new ATOM 0 HB3 GLN A 78 0.824 -2.625 -5.944 1.00 0.04 H new ATOM 0 HG2 GLN A 78 2.175 -0.030 -6.314 1.00 0.54 H new ATOM 0 HG3 GLN A 78 3.129 -1.100 -5.306 1.00 0.54 H new ATOM 0 HE21 GLN A 78 4.712 -1.472 -7.011 1.00 1.04 H new ATOM 0 HE22 GLN A 78 4.319 -2.468 -8.416 1.00 1.04 H new ATOM 1199 N PHE A 79 -2.049 -2.043 -6.164 1.00 0.09 N ATOM 1200 CA PHE A 79 -3.353 -2.713 -5.848 1.00 0.11 C ATOM 1201 C PHE A 79 -3.223 -4.233 -6.013 1.00 0.10 C ATOM 1202 O PHE A 79 -2.738 -4.704 -7.024 1.00 0.14 O ATOM 1203 CB PHE A 79 -4.416 -2.197 -6.821 1.00 0.12 C ATOM 1204 CG PHE A 79 -4.800 -0.755 -6.457 1.00 0.14 C ATOM 1205 CD1 PHE A 79 -3.873 0.274 -6.557 1.00 0.12 C ATOM 1206 CD2 PHE A 79 -6.082 -0.461 -6.023 1.00 0.18 C ATOM 1207 CE1 PHE A 79 -4.228 1.567 -6.229 1.00 0.14 C ATOM 1208 CE2 PHE A 79 -6.431 0.832 -5.696 1.00 0.21 C ATOM 1209 CZ PHE A 79 -5.507 1.844 -5.799 1.00 0.18 C ATOM 0 H PHE A 79 -1.717 -2.169 -7.120 1.00 0.09 H new ATOM 0 HA PHE A 79 -3.633 -2.490 -4.819 1.00 0.11 H new ATOM 0 HB2 PHE A 79 -4.036 -2.235 -7.842 1.00 0.12 H new ATOM 0 HB3 PHE A 79 -5.297 -2.838 -6.784 1.00 0.12 H new ATOM 0 HD1 PHE A 79 -2.869 0.062 -6.893 1.00 0.12 H new ATOM 0 HD2 PHE A 79 -6.814 -1.251 -5.940 1.00 0.18 H new ATOM 0 HE1 PHE A 79 -3.502 2.363 -6.310 1.00 0.14 H new ATOM 0 HE2 PHE A 79 -7.433 1.050 -5.358 1.00 0.21 H new ATOM 0 HZ PHE A 79 -5.784 2.856 -5.543 1.00 0.18 H new ATOM 1219 N PHE A 80 -3.657 -4.969 -5.013 1.00 0.16 N ATOM 1220 CA PHE A 80 -3.578 -6.464 -5.105 1.00 0.17 C ATOM 1221 C PHE A 80 -4.938 -7.083 -4.778 1.00 0.16 C ATOM 1222 O PHE A 80 -5.533 -6.779 -3.760 1.00 0.33 O ATOM 1223 CB PHE A 80 -2.542 -6.982 -4.111 1.00 0.19 C ATOM 1224 CG PHE A 80 -1.148 -6.523 -4.534 1.00 0.12 C ATOM 1225 CD1 PHE A 80 -0.430 -7.226 -5.486 1.00 0.02 C ATOM 1226 CD2 PHE A 80 -0.586 -5.397 -3.968 1.00 0.22 C ATOM 1227 CE1 PHE A 80 0.830 -6.806 -5.862 1.00 0.13 C ATOM 1228 CE2 PHE A 80 0.674 -4.979 -4.343 1.00 0.27 C ATOM 1229 CZ PHE A 80 1.381 -5.684 -5.290 1.00 0.23 C ATOM 0 H PHE A 80 -4.057 -4.604 -4.149 1.00 0.16 H new ATOM 0 HA PHE A 80 -3.290 -6.741 -6.119 1.00 0.17 H new ATOM 0 HB2 PHE A 80 -2.768 -6.614 -3.110 1.00 0.19 H new ATOM 0 HB3 PHE A 80 -2.579 -8.070 -4.066 1.00 0.19 H new ATOM 0 HD1 PHE A 80 -0.858 -8.109 -5.937 1.00 0.02 H new ATOM 0 HD2 PHE A 80 -1.137 -4.839 -3.226 1.00 0.22 H new ATOM 0 HE1 PHE A 80 1.383 -7.359 -6.606 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.106 -4.097 -3.893 1.00 0.27 H new ATOM 0 HZ PHE A 80 2.367 -5.356 -5.583 1.00 0.23 H new ATOM 1239 N LYS A 81 -5.400 -7.939 -5.654 1.00 0.35 N ATOM 1240 CA LYS A 81 -6.716 -8.606 -5.419 1.00 0.35 C ATOM 1241 C LYS A 81 -6.492 -10.063 -5.027 1.00 0.30 C ATOM 1242 O LYS A 81 -6.106 -10.877 -5.842 1.00 0.48 O ATOM 1243 CB LYS A 81 -7.549 -8.541 -6.697 1.00 0.49 C ATOM 1244 CG LYS A 81 -8.969 -9.024 -6.394 1.00 0.63 C ATOM 1245 CD LYS A 81 -9.931 -7.838 -6.480 1.00 0.30 C ATOM 1246 CE LYS A 81 -11.348 -8.318 -6.160 1.00 0.61 C ATOM 1247 NZ LYS A 81 -11.458 -8.693 -4.722 1.00 2.10 N ATOM 0 H LYS A 81 -4.926 -8.204 -6.517 1.00 0.35 H new ATOM 0 HA LYS A 81 -7.243 -8.096 -4.613 1.00 0.35 H new ATOM 0 HB2 LYS A 81 -7.572 -7.520 -7.079 1.00 0.49 H new ATOM 0 HB3 LYS A 81 -7.098 -9.161 -7.472 1.00 0.49 H new ATOM 0 HG2 LYS A 81 -9.262 -9.798 -7.103 1.00 0.63 H new ATOM 0 HG3 LYS A 81 -9.010 -9.470 -5.400 1.00 0.63 H new ATOM 0 HD2 LYS A 81 -9.631 -7.059 -5.779 1.00 0.30 H new ATOM 0 HD3 LYS A 81 -9.899 -7.399 -7.477 1.00 0.30 H new ATOM 0 HE2 LYS A 81 -12.066 -7.532 -6.393 1.00 0.61 H new ATOM 0 HE3 LYS A 81 -11.598 -9.175 -6.786 1.00 0.61 H new ATOM 0 HZ1 LYS A 81 -12.445 -8.590 -4.411 1.00 2.10 H new ATOM 0 HZ2 LYS A 81 -11.157 -9.681 -4.597 1.00 2.10 H new ATOM 0 HZ3 LYS A 81 -10.849 -8.071 -4.153 1.00 2.10 H new ATOM 1261 N LYS A 82 -6.738 -10.364 -3.784 1.00 0.61 N ATOM 1262 CA LYS A 82 -6.530 -11.761 -3.319 1.00 0.95 C ATOM 1263 C LYS A 82 -5.044 -12.113 -3.409 1.00 1.01 C ATOM 1264 O LYS A 82 -4.640 -13.204 -3.061 1.00 1.45 O ATOM 1265 CB LYS A 82 -7.336 -12.711 -4.201 1.00 1.04 C ATOM 1266 CG LYS A 82 -7.884 -13.849 -3.337 1.00 1.56 C ATOM 1267 CD LYS A 82 -8.582 -14.871 -4.236 1.00 1.53 C ATOM 1268 CE LYS A 82 -8.846 -16.146 -3.433 1.00 2.74 C ATOM 1269 NZ LYS A 82 -10.203 -16.680 -3.735 1.00 2.40 N ATOM 0 H LYS A 82 -7.071 -9.710 -3.076 1.00 0.61 H new ATOM 0 HA LYS A 82 -6.861 -11.856 -2.285 1.00 0.95 H new ATOM 0 HB2 LYS A 82 -8.155 -12.175 -4.681 1.00 1.04 H new ATOM 0 HB3 LYS A 82 -6.707 -13.111 -4.996 1.00 1.04 H new ATOM 0 HG2 LYS A 82 -7.074 -14.325 -2.785 1.00 1.56 H new ATOM 0 HG3 LYS A 82 -8.584 -13.457 -2.600 1.00 1.56 H new ATOM 0 HD2 LYS A 82 -9.520 -14.462 -4.612 1.00 1.53 H new ATOM 0 HD3 LYS A 82 -7.961 -15.095 -5.104 1.00 1.53 H new ATOM 0 HE2 LYS A 82 -8.092 -16.896 -3.672 1.00 2.74 H new ATOM 0 HE3 LYS A 82 -8.760 -15.936 -2.367 1.00 2.74 H new ATOM 0 HZ1 LYS A 82 -10.367 -17.545 -3.182 1.00 2.40 H new ATOM 0 HZ2 LYS A 82 -10.919 -15.969 -3.485 1.00 2.40 H new ATOM 0 HZ3 LYS A 82 -10.272 -16.899 -4.749 1.00 2.40 H new ATOM 1283 N GLY A 83 -4.264 -11.166 -3.880 1.00 0.65 N ATOM 1284 CA GLY A 83 -2.792 -11.407 -4.007 1.00 0.69 C ATOM 1285 C GLY A 83 -2.325 -11.158 -5.443 1.00 0.64 C ATOM 1286 O GLY A 83 -1.143 -11.051 -5.703 1.00 1.17 O ATOM 0 H GLY A 83 -4.582 -10.244 -4.179 1.00 0.65 H new ATOM 0 HA2 GLY A 83 -2.251 -10.752 -3.325 1.00 0.69 H new ATOM 0 HA3 GLY A 83 -2.560 -12.432 -3.716 1.00 0.69 H new ATOM 1290 N GLN A 84 -3.261 -11.073 -6.348 1.00 0.24 N ATOM 1291 CA GLN A 84 -2.883 -10.833 -7.771 1.00 0.28 C ATOM 1292 C GLN A 84 -2.914 -9.334 -8.087 1.00 0.23 C ATOM 1293 O GLN A 84 -3.921 -8.679 -7.908 1.00 0.29 O ATOM 1294 CB GLN A 84 -3.867 -11.565 -8.679 1.00 0.37 C ATOM 1295 CG GLN A 84 -3.168 -12.773 -9.305 1.00 0.79 C ATOM 1296 CD GLN A 84 -2.662 -13.696 -8.196 1.00 2.50 C ATOM 1297 OE1 GLN A 84 -1.544 -13.576 -7.734 1.00 3.85 O ATOM 1298 NE2 GLN A 84 -3.450 -14.631 -7.742 1.00 3.16 N ATOM 0 H GLN A 84 -4.261 -11.158 -6.168 1.00 0.24 H new ATOM 0 HA GLN A 84 -1.872 -11.205 -7.939 1.00 0.28 H new ATOM 0 HB2 GLN A 84 -4.737 -11.889 -8.107 1.00 0.37 H new ATOM 0 HB3 GLN A 84 -4.229 -10.895 -9.458 1.00 0.37 H new ATOM 0 HG2 GLN A 84 -3.859 -13.311 -9.954 1.00 0.79 H new ATOM 0 HG3 GLN A 84 -2.336 -12.444 -9.928 1.00 0.79 H new ATOM 0 HE21 GLN A 84 -4.389 -14.737 -8.125 1.00 3.16 H new ATOM 0 HE22 GLN A 84 -3.127 -15.256 -7.004 1.00 3.16 H new ATOM 1307 N LYS A 85 -1.806 -8.825 -8.554 1.00 0.24 N ATOM 1308 CA LYS A 85 -1.749 -7.375 -8.889 1.00 0.20 C ATOM 1309 C LYS A 85 -2.799 -7.036 -9.951 1.00 0.22 C ATOM 1310 O LYS A 85 -3.047 -7.814 -10.852 1.00 0.39 O ATOM 1311 CB LYS A 85 -0.357 -7.049 -9.420 1.00 0.25 C ATOM 1312 CG LYS A 85 -0.222 -5.529 -9.576 1.00 0.29 C ATOM 1313 CD LYS A 85 1.238 -5.163 -9.898 1.00 0.48 C ATOM 1314 CE LYS A 85 1.486 -5.306 -11.404 1.00 0.73 C ATOM 1315 NZ LYS A 85 1.359 -3.983 -12.081 1.00 2.21 N ATOM 0 H LYS A 85 -0.945 -9.346 -8.717 1.00 0.24 H new ATOM 0 HA LYS A 85 -1.956 -6.786 -7.995 1.00 0.20 H new ATOM 0 HB2 LYS A 85 0.404 -7.426 -8.736 1.00 0.25 H new ATOM 0 HB3 LYS A 85 -0.196 -7.541 -10.379 1.00 0.25 H new ATOM 0 HG2 LYS A 85 -0.878 -5.177 -10.372 1.00 0.29 H new ATOM 0 HG3 LYS A 85 -0.537 -5.031 -8.659 1.00 0.29 H new ATOM 0 HD2 LYS A 85 1.445 -4.141 -9.581 1.00 0.48 H new ATOM 0 HD3 LYS A 85 1.916 -5.812 -9.345 1.00 0.48 H new ATOM 0 HE2 LYS A 85 2.481 -5.716 -11.578 1.00 0.73 H new ATOM 0 HE3 LYS A 85 0.772 -6.010 -11.831 1.00 0.73 H new ATOM 0 HZ1 LYS A 85 1.724 -4.054 -13.052 1.00 2.21 H new ATOM 0 HZ2 LYS A 85 0.358 -3.701 -12.107 1.00 2.21 H new ATOM 0 HZ3 LYS A 85 1.906 -3.271 -11.556 1.00 2.21 H new ATOM 1329 N VAL A 86 -3.396 -5.878 -9.821 1.00 0.10 N ATOM 1330 CA VAL A 86 -4.436 -5.470 -10.815 1.00 0.09 C ATOM 1331 C VAL A 86 -4.316 -3.976 -11.154 1.00 0.09 C ATOM 1332 O VAL A 86 -4.726 -3.548 -12.214 1.00 0.12 O ATOM 1333 CB VAL A 86 -5.820 -5.747 -10.230 1.00 0.09 C ATOM 1334 CG1 VAL A 86 -6.200 -7.203 -10.506 1.00 0.11 C ATOM 1335 CG2 VAL A 86 -5.784 -5.516 -8.717 1.00 0.24 C ATOM 0 H VAL A 86 -3.211 -5.204 -9.078 1.00 0.10 H new ATOM 0 HA VAL A 86 -4.290 -6.043 -11.730 1.00 0.09 H new ATOM 0 HB VAL A 86 -6.552 -5.081 -10.687 1.00 0.09 H new ATOM 0 HG11 VAL A 86 -7.187 -7.406 -10.091 1.00 0.11 H new ATOM 0 HG12 VAL A 86 -6.216 -7.377 -11.582 1.00 0.11 H new ATOM 0 HG13 VAL A 86 -5.468 -7.864 -10.042 1.00 0.11 H new ATOM 0 HG21 VAL A 86 -6.770 -5.713 -8.295 1.00 0.24 H new ATOM 0 HG22 VAL A 86 -5.055 -6.188 -8.264 1.00 0.24 H new ATOM 0 HG23 VAL A 86 -5.502 -4.483 -8.513 1.00 0.24 H new ATOM 1345 N GLY A 87 -3.758 -3.215 -10.250 1.00 0.06 N ATOM 1346 CA GLY A 87 -3.616 -1.752 -10.518 1.00 0.06 C ATOM 1347 C GLY A 87 -2.338 -1.209 -9.879 1.00 0.05 C ATOM 1348 O GLY A 87 -1.856 -1.744 -8.900 1.00 0.06 O ATOM 0 H GLY A 87 -3.399 -3.535 -9.351 1.00 0.06 H new ATOM 0 HA2 GLY A 87 -3.595 -1.574 -11.593 1.00 0.06 H new ATOM 0 HA3 GLY A 87 -4.481 -1.219 -10.123 1.00 0.06 H new ATOM 1352 N GLU A 88 -1.814 -0.153 -10.444 1.00 0.04 N ATOM 1353 CA GLU A 88 -0.569 0.432 -9.872 1.00 0.06 C ATOM 1354 C GLU A 88 -0.342 1.852 -10.399 1.00 0.02 C ATOM 1355 O GLU A 88 -0.273 2.076 -11.591 1.00 0.08 O ATOM 1356 CB GLU A 88 0.614 -0.454 -10.262 1.00 0.13 C ATOM 1357 CG GLU A 88 1.908 0.370 -10.216 1.00 1.14 C ATOM 1358 CD GLU A 88 3.107 -0.578 -10.116 1.00 1.51 C ATOM 1359 OE1 GLU A 88 2.950 -1.700 -10.569 1.00 1.00 O ATOM 1360 OE2 GLU A 88 4.113 -0.125 -9.595 1.00 2.70 O ATOM 0 H GLU A 88 -2.189 0.323 -11.265 1.00 0.04 H new ATOM 0 HA GLU A 88 -0.664 0.482 -8.787 1.00 0.06 H new ATOM 0 HB2 GLU A 88 0.686 -1.303 -9.582 1.00 0.13 H new ATOM 0 HB3 GLU A 88 0.464 -0.860 -11.263 1.00 0.13 H new ATOM 0 HG2 GLU A 88 1.992 0.988 -11.110 1.00 1.14 H new ATOM 0 HG3 GLU A 88 1.892 1.046 -9.361 1.00 1.14 H new ATOM 1367 N PHE A 89 -0.227 2.776 -9.488 1.00 0.05 N ATOM 1368 CA PHE A 89 0.012 4.182 -9.889 1.00 0.10 C ATOM 1369 C PHE A 89 0.761 4.914 -8.770 1.00 0.16 C ATOM 1370 O PHE A 89 0.404 4.804 -7.613 1.00 0.19 O ATOM 1371 CB PHE A 89 -1.333 4.841 -10.135 1.00 0.13 C ATOM 1372 CG PHE A 89 -1.840 5.493 -8.847 1.00 0.14 C ATOM 1373 CD1 PHE A 89 -1.421 6.763 -8.487 1.00 0.17 C ATOM 1374 CD2 PHE A 89 -2.727 4.821 -8.024 1.00 0.19 C ATOM 1375 CE1 PHE A 89 -1.884 7.349 -7.326 1.00 0.17 C ATOM 1376 CE2 PHE A 89 -3.187 5.408 -6.865 1.00 0.20 C ATOM 1377 CZ PHE A 89 -2.767 6.672 -6.516 1.00 0.16 C ATOM 0 H PHE A 89 -0.289 2.615 -8.483 1.00 0.05 H new ATOM 0 HA PHE A 89 0.616 4.222 -10.796 1.00 0.10 H new ATOM 0 HB2 PHE A 89 -1.241 5.591 -10.920 1.00 0.13 H new ATOM 0 HB3 PHE A 89 -2.052 4.100 -10.484 1.00 0.13 H new ATOM 0 HD1 PHE A 89 -0.728 7.298 -9.119 1.00 0.17 H new ATOM 0 HD2 PHE A 89 -3.061 3.830 -8.292 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -1.553 8.340 -7.053 1.00 0.17 H new ATOM 0 HE2 PHE A 89 -3.879 4.875 -6.229 1.00 0.20 H new ATOM 0 HZ PHE A 89 -3.130 7.131 -5.608 1.00 0.16 H new ATOM 1387 N SER A 90 1.783 5.643 -9.141 1.00 0.20 N ATOM 1388 CA SER A 90 2.580 6.380 -8.110 1.00 0.27 C ATOM 1389 C SER A 90 2.380 7.889 -8.251 1.00 0.21 C ATOM 1390 O SER A 90 1.766 8.350 -9.192 1.00 0.17 O ATOM 1391 CB SER A 90 4.059 6.046 -8.293 1.00 0.34 C ATOM 1392 OG SER A 90 4.416 6.702 -9.501 1.00 0.32 O ATOM 0 H SER A 90 2.099 5.760 -10.104 1.00 0.20 H new ATOM 0 HA SER A 90 2.244 6.076 -7.119 1.00 0.27 H new ATOM 0 HB2 SER A 90 4.655 6.404 -7.454 1.00 0.34 H new ATOM 0 HB3 SER A 90 4.219 4.970 -8.361 1.00 0.34 H new ATOM 0 HG SER A 90 5.363 6.539 -9.695 1.00 0.32 H new ATOM 1398 N GLY A 91 2.909 8.622 -7.300 1.00 0.20 N ATOM 1399 CA GLY A 91 2.771 10.109 -7.341 1.00 0.15 C ATOM 1400 C GLY A 91 2.044 10.608 -6.092 1.00 0.23 C ATOM 1401 O GLY A 91 1.044 10.049 -5.687 1.00 0.39 O ATOM 0 H GLY A 91 3.427 8.255 -6.502 1.00 0.20 H new ATOM 0 HA2 GLY A 91 3.756 10.571 -7.406 1.00 0.15 H new ATOM 0 HA3 GLY A 91 2.220 10.406 -8.234 1.00 0.15 H new ATOM 1405 N ALA A 92 2.562 11.652 -5.508 1.00 0.16 N ATOM 1406 CA ALA A 92 1.912 12.201 -4.282 1.00 0.22 C ATOM 1407 C ALA A 92 0.496 12.686 -4.608 1.00 0.21 C ATOM 1408 O ALA A 92 0.286 13.847 -4.900 1.00 0.57 O ATOM 1409 CB ALA A 92 2.745 13.369 -3.757 1.00 0.25 C ATOM 0 H ALA A 92 3.398 12.146 -5.821 1.00 0.16 H new ATOM 0 HA ALA A 92 1.850 11.419 -3.525 1.00 0.22 H new ATOM 0 HB1 ALA A 92 2.277 13.776 -2.861 1.00 0.25 H new ATOM 0 HB2 ALA A 92 3.749 13.020 -3.515 1.00 0.25 H new ATOM 0 HB3 ALA A 92 2.804 14.145 -4.520 1.00 0.25 H new ATOM 1415 N ASN A 93 -0.446 11.785 -4.549 1.00 0.45 N ATOM 1416 CA ASN A 93 -1.853 12.177 -4.853 1.00 0.39 C ATOM 1417 C ASN A 93 -2.828 11.344 -4.015 1.00 0.38 C ATOM 1418 O ASN A 93 -2.928 10.145 -4.183 1.00 0.43 O ATOM 1419 CB ASN A 93 -2.129 11.947 -6.337 1.00 0.29 C ATOM 1420 CG ASN A 93 -3.331 12.791 -6.764 1.00 0.39 C ATOM 1421 OD1 ASN A 93 -3.491 13.124 -7.922 1.00 0.44 O ATOM 1422 ND2 ASN A 93 -4.198 13.160 -5.861 1.00 0.45 N ATOM 0 H ASN A 93 -0.306 10.804 -4.306 1.00 0.45 H new ATOM 0 HA ASN A 93 -1.992 13.230 -4.610 1.00 0.39 H new ATOM 0 HB2 ASN A 93 -1.253 12.216 -6.928 1.00 0.29 H new ATOM 0 HB3 ASN A 93 -2.327 10.891 -6.523 1.00 0.29 H new ATOM 0 HD21 ASN A 93 -5.004 13.725 -6.129 1.00 0.45 H new ATOM 0 HD22 ASN A 93 -4.069 12.884 -4.888 1.00 0.45 H new ATOM 1429 N LYS A 94 -3.526 12.001 -3.131 1.00 0.42 N ATOM 1430 CA LYS A 94 -4.501 11.263 -2.271 1.00 0.42 C ATOM 1431 C LYS A 94 -5.882 11.259 -2.934 1.00 0.34 C ATOM 1432 O LYS A 94 -6.550 10.245 -2.978 1.00 0.34 O ATOM 1433 CB LYS A 94 -4.605 11.933 -0.888 1.00 0.58 C ATOM 1434 CG LYS A 94 -3.462 12.942 -0.689 1.00 0.27 C ATOM 1435 CD LYS A 94 -3.792 14.240 -1.434 1.00 0.98 C ATOM 1436 CE LYS A 94 -4.312 15.273 -0.434 1.00 1.63 C ATOM 1437 NZ LYS A 94 -4.984 16.397 -1.147 1.00 2.06 N ATOM 0 H LYS A 94 -3.467 13.006 -2.965 1.00 0.42 H new ATOM 0 HA LYS A 94 -4.150 10.238 -2.149 1.00 0.42 H new ATOM 0 HB2 LYS A 94 -5.565 12.440 -0.795 1.00 0.58 H new ATOM 0 HB3 LYS A 94 -4.568 11.174 -0.106 1.00 0.58 H new ATOM 0 HG2 LYS A 94 -3.322 13.145 0.373 1.00 0.27 H new ATOM 0 HG3 LYS A 94 -2.526 12.525 -1.060 1.00 0.27 H new ATOM 0 HD2 LYS A 94 -2.904 14.620 -1.939 1.00 0.98 H new ATOM 0 HD3 LYS A 94 -4.541 14.052 -2.204 1.00 0.98 H new ATOM 0 HE2 LYS A 94 -5.013 14.801 0.255 1.00 1.63 H new ATOM 0 HE3 LYS A 94 -3.486 15.656 0.165 1.00 1.63 H new ATOM 0 HZ1 LYS A 94 -5.331 17.090 -0.453 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 -4.305 16.858 -1.786 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 -5.785 16.029 -1.699 1.00 2.06 H new ATOM 1451 N GLU A 95 -6.281 12.397 -3.434 1.00 0.29 N ATOM 1452 CA GLU A 95 -7.612 12.482 -4.094 1.00 0.24 C ATOM 1453 C GLU A 95 -7.738 11.402 -5.171 1.00 0.20 C ATOM 1454 O GLU A 95 -8.826 11.068 -5.595 1.00 0.23 O ATOM 1455 CB GLU A 95 -7.764 13.860 -4.736 1.00 0.20 C ATOM 1456 CG GLU A 95 -9.246 14.235 -4.775 1.00 1.36 C ATOM 1457 CD GLU A 95 -9.644 14.862 -3.437 1.00 1.66 C ATOM 1458 OE1 GLU A 95 -9.499 16.069 -3.340 1.00 1.63 O ATOM 1459 OE2 GLU A 95 -10.073 14.097 -2.588 1.00 3.05 O ATOM 0 H GLU A 95 -5.746 13.265 -3.414 1.00 0.29 H new ATOM 0 HA GLU A 95 -8.393 12.330 -3.349 1.00 0.24 H new ATOM 0 HB2 GLU A 95 -7.203 14.603 -4.169 1.00 0.20 H new ATOM 0 HB3 GLU A 95 -7.352 13.852 -5.745 1.00 0.20 H new ATOM 0 HG2 GLU A 95 -9.434 14.936 -5.588 1.00 1.36 H new ATOM 0 HG3 GLU A 95 -9.852 13.350 -4.970 1.00 1.36 H new ATOM 1466 N LYS A 96 -6.620 10.879 -5.591 1.00 0.15 N ATOM 1467 CA LYS A 96 -6.656 9.821 -6.644 1.00 0.13 C ATOM 1468 C LYS A 96 -6.982 8.464 -6.000 1.00 0.15 C ATOM 1469 O LYS A 96 -7.752 7.692 -6.534 1.00 0.20 O ATOM 1470 CB LYS A 96 -5.288 9.765 -7.336 1.00 0.11 C ATOM 1471 CG LYS A 96 -5.349 8.802 -8.541 1.00 0.12 C ATOM 1472 CD LYS A 96 -5.630 9.598 -9.831 1.00 0.64 C ATOM 1473 CE LYS A 96 -4.448 10.533 -10.163 1.00 0.75 C ATOM 1474 NZ LYS A 96 -3.208 10.118 -9.444 1.00 1.80 N ATOM 0 H LYS A 96 -5.691 11.134 -5.256 1.00 0.15 H new ATOM 0 HA LYS A 96 -7.426 10.052 -7.380 1.00 0.13 H new ATOM 0 HB2 LYS A 96 -4.998 10.761 -7.670 1.00 0.11 H new ATOM 0 HB3 LYS A 96 -4.527 9.431 -6.631 1.00 0.11 H new ATOM 0 HG2 LYS A 96 -4.407 8.261 -8.634 1.00 0.12 H new ATOM 0 HG3 LYS A 96 -6.130 8.058 -8.384 1.00 0.12 H new ATOM 0 HD2 LYS A 96 -5.800 8.910 -10.659 1.00 0.64 H new ATOM 0 HD3 LYS A 96 -6.541 10.184 -9.712 1.00 0.64 H new ATOM 0 HE2 LYS A 96 -4.267 10.526 -11.238 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -4.704 11.557 -9.890 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -2.383 10.578 -9.880 1.00 1.80 H new ATOM 0 HZ2 LYS A 96 -3.275 10.401 -8.445 1.00 1.80 H new ATOM 0 HZ3 LYS A 96 -3.101 9.085 -9.505 1.00 1.80 H new ATOM 1488 N LEU A 97 -6.386 8.205 -4.868 1.00 0.16 N ATOM 1489 CA LEU A 97 -6.656 6.907 -4.175 1.00 0.18 C ATOM 1490 C LEU A 97 -8.163 6.637 -4.133 1.00 0.20 C ATOM 1491 O LEU A 97 -8.603 5.528 -4.351 1.00 0.24 O ATOM 1492 CB LEU A 97 -6.129 6.986 -2.743 1.00 0.24 C ATOM 1493 CG LEU A 97 -4.623 6.686 -2.729 1.00 0.43 C ATOM 1494 CD1 LEU A 97 -4.064 7.054 -1.356 1.00 0.56 C ATOM 1495 CD2 LEU A 97 -4.378 5.190 -2.988 1.00 0.61 C ATOM 0 H LEU A 97 -5.730 8.827 -4.395 1.00 0.16 H new ATOM 0 HA LEU A 97 -6.160 6.103 -4.718 1.00 0.18 H new ATOM 0 HB2 LEU A 97 -6.316 7.977 -2.330 1.00 0.24 H new ATOM 0 HB3 LEU A 97 -6.658 6.273 -2.111 1.00 0.24 H new ATOM 0 HG LEU A 97 -4.130 7.266 -3.509 1.00 0.43 H new ATOM 0 HD11 LEU A 97 -2.994 6.846 -1.331 1.00 0.56 H new ATOM 0 HD12 LEU A 97 -4.232 8.114 -1.167 1.00 0.56 H new ATOM 0 HD13 LEU A 97 -4.566 6.465 -0.589 1.00 0.56 H new ATOM 0 HD21 LEU A 97 -3.307 4.989 -2.976 1.00 0.61 H new ATOM 0 HD22 LEU A 97 -4.866 4.602 -2.211 1.00 0.61 H new ATOM 0 HD23 LEU A 97 -4.787 4.917 -3.961 1.00 0.61 H new ATOM 1507 N GLU A 98 -8.920 7.661 -3.845 1.00 0.41 N ATOM 1508 CA GLU A 98 -10.401 7.485 -3.779 1.00 0.51 C ATOM 1509 C GLU A 98 -10.924 6.876 -5.077 1.00 0.51 C ATOM 1510 O GLU A 98 -11.335 5.734 -5.114 1.00 0.48 O ATOM 1511 CB GLU A 98 -11.058 8.845 -3.552 1.00 0.65 C ATOM 1512 CG GLU A 98 -12.511 8.635 -3.122 1.00 0.49 C ATOM 1513 CD GLU A 98 -13.349 9.838 -3.559 1.00 1.52 C ATOM 1514 OE1 GLU A 98 -12.990 10.928 -3.143 1.00 1.77 O ATOM 1515 OE2 GLU A 98 -14.301 9.601 -4.283 1.00 2.57 O ATOM 0 H GLU A 98 -8.582 8.604 -3.654 1.00 0.41 H new ATOM 0 HA GLU A 98 -10.643 6.813 -2.956 1.00 0.51 H new ATOM 0 HB2 GLU A 98 -10.516 9.401 -2.787 1.00 0.65 H new ATOM 0 HB3 GLU A 98 -11.018 9.439 -4.465 1.00 0.65 H new ATOM 0 HG2 GLU A 98 -12.905 7.722 -3.568 1.00 0.49 H new ATOM 0 HG3 GLU A 98 -12.568 8.512 -2.040 1.00 0.49 H new ATOM 1522 N ALA A 99 -10.897 7.655 -6.110 1.00 0.55 N ATOM 1523 CA ALA A 99 -11.394 7.151 -7.425 1.00 0.61 C ATOM 1524 C ALA A 99 -10.727 5.815 -7.762 1.00 0.51 C ATOM 1525 O ALA A 99 -11.381 4.881 -8.186 1.00 0.52 O ATOM 1526 CB ALA A 99 -11.064 8.175 -8.510 1.00 0.69 C ATOM 0 H ALA A 99 -10.556 8.616 -6.110 1.00 0.55 H new ATOM 0 HA ALA A 99 -12.473 7.003 -7.371 1.00 0.61 H new ATOM 0 HB1 ALA A 99 -11.424 7.813 -9.473 1.00 0.69 H new ATOM 0 HB2 ALA A 99 -11.547 9.123 -8.275 1.00 0.69 H new ATOM 0 HB3 ALA A 99 -9.985 8.320 -8.557 1.00 0.69 H new ATOM 1532 N THR A 100 -9.439 5.751 -7.570 1.00 0.44 N ATOM 1533 CA THR A 100 -8.717 4.481 -7.871 1.00 0.37 C ATOM 1534 C THR A 100 -9.390 3.315 -7.146 1.00 0.33 C ATOM 1535 O THR A 100 -9.672 2.296 -7.737 1.00 0.33 O ATOM 1536 CB THR A 100 -7.264 4.608 -7.416 1.00 0.25 C ATOM 1537 OG1 THR A 100 -6.841 5.878 -7.903 1.00 0.27 O ATOM 1538 CG2 THR A 100 -6.367 3.590 -8.115 1.00 0.33 C ATOM 0 H THR A 100 -8.859 6.514 -7.221 1.00 0.44 H new ATOM 0 HA THR A 100 -8.747 4.291 -8.944 1.00 0.37 H new ATOM 0 HB THR A 100 -7.199 4.469 -6.337 1.00 0.25 H new ATOM 0 HG1 THR A 100 -6.906 6.542 -7.185 1.00 0.27 H new ATOM 0 HG21 THR A 100 -5.341 3.710 -7.767 1.00 0.33 H new ATOM 0 HG22 THR A 100 -6.713 2.582 -7.885 1.00 0.33 H new ATOM 0 HG23 THR A 100 -6.406 3.750 -9.192 1.00 0.33 H new ATOM 1546 N ILE A 101 -9.628 3.484 -5.874 1.00 0.30 N ATOM 1547 CA ILE A 101 -10.302 2.392 -5.120 1.00 0.28 C ATOM 1548 C ILE A 101 -11.640 2.108 -5.776 1.00 0.37 C ATOM 1549 O ILE A 101 -12.031 0.972 -5.944 1.00 0.40 O ATOM 1550 CB ILE A 101 -10.513 2.829 -3.668 1.00 0.30 C ATOM 1551 CG1 ILE A 101 -9.219 2.599 -2.883 1.00 0.23 C ATOM 1552 CG2 ILE A 101 -11.633 1.997 -3.045 1.00 0.35 C ATOM 1553 CD1 ILE A 101 -9.119 3.640 -1.764 1.00 0.58 C ATOM 0 H ILE A 101 -9.390 4.315 -5.333 1.00 0.30 H new ATOM 0 HA ILE A 101 -9.688 1.491 -5.130 1.00 0.28 H new ATOM 0 HB ILE A 101 -10.782 3.885 -3.638 1.00 0.30 H new ATOM 0 HG12 ILE A 101 -9.208 1.593 -2.463 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -8.358 2.677 -3.547 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -11.784 2.307 -2.011 1.00 0.35 H new ATOM 0 HG22 ILE A 101 -12.554 2.148 -3.608 1.00 0.35 H new ATOM 0 HG23 ILE A 101 -11.360 0.942 -3.071 1.00 0.35 H new ATOM 0 HD11 ILE A 101 -8.199 3.482 -1.201 1.00 0.58 H new ATOM 0 HD12 ILE A 101 -9.112 4.640 -2.197 1.00 0.58 H new ATOM 0 HD13 ILE A 101 -9.975 3.540 -1.096 1.00 0.58 H new ATOM 1565 N ASN A 102 -12.304 3.156 -6.143 1.00 0.41 N ATOM 1566 CA ASN A 102 -13.617 2.996 -6.815 1.00 0.51 C ATOM 1567 C ASN A 102 -13.417 2.248 -8.132 1.00 0.52 C ATOM 1568 O ASN A 102 -14.362 1.796 -8.749 1.00 0.58 O ATOM 1569 CB ASN A 102 -14.196 4.382 -7.097 1.00 0.57 C ATOM 1570 CG ASN A 102 -15.720 4.328 -7.028 1.00 0.36 C ATOM 1571 OD1 ASN A 102 -16.318 3.270 -7.039 1.00 0.51 O ATOM 1572 ND2 ASN A 102 -16.386 5.448 -6.956 1.00 0.55 N ATOM 0 H ASN A 102 -11.997 4.119 -6.008 1.00 0.41 H new ATOM 0 HA ASN A 102 -14.300 2.433 -6.179 1.00 0.51 H new ATOM 0 HB2 ASN A 102 -13.815 5.100 -6.371 1.00 0.57 H new ATOM 0 HB3 ASN A 102 -13.879 4.725 -8.082 1.00 0.57 H new ATOM 0 HD21 ASN A 102 -17.405 5.433 -6.909 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -15.888 6.338 -6.947 1.00 0.55 H new ATOM 1579 N GLU A 103 -12.178 2.135 -8.533 1.00 0.47 N ATOM 1580 CA GLU A 103 -11.876 1.428 -9.807 1.00 0.50 C ATOM 1581 C GLU A 103 -11.985 -0.092 -9.629 1.00 0.48 C ATOM 1582 O GLU A 103 -12.530 -0.771 -10.477 1.00 0.61 O ATOM 1583 CB GLU A 103 -10.455 1.783 -10.246 1.00 0.48 C ATOM 1584 CG GLU A 103 -10.345 1.633 -11.764 1.00 0.58 C ATOM 1585 CD GLU A 103 -8.873 1.475 -12.150 1.00 1.92 C ATOM 1586 OE1 GLU A 103 -8.136 2.403 -11.863 1.00 2.20 O ATOM 1587 OE2 GLU A 103 -8.569 0.434 -12.709 1.00 3.02 O ATOM 0 H GLU A 103 -11.367 2.501 -8.034 1.00 0.47 H new ATOM 0 HA GLU A 103 -12.598 1.740 -10.562 1.00 0.50 H new ATOM 0 HB2 GLU A 103 -10.215 2.805 -9.951 1.00 0.48 H new ATOM 0 HB3 GLU A 103 -9.735 1.131 -9.751 1.00 0.48 H new ATOM 0 HG2 GLU A 103 -10.916 0.766 -12.098 1.00 0.58 H new ATOM 0 HG3 GLU A 103 -10.771 2.505 -12.259 1.00 0.58 H new ATOM 1594 N LEU A 104 -11.471 -0.595 -8.530 1.00 0.32 N ATOM 1595 CA LEU A 104 -11.526 -2.077 -8.308 1.00 0.31 C ATOM 1596 C LEU A 104 -12.626 -2.456 -7.304 1.00 0.45 C ATOM 1597 O LEU A 104 -12.913 -3.622 -7.118 1.00 0.60 O ATOM 1598 CB LEU A 104 -10.172 -2.559 -7.779 1.00 0.20 C ATOM 1599 CG LEU A 104 -9.046 -1.947 -8.619 1.00 0.25 C ATOM 1600 CD1 LEU A 104 -7.715 -2.569 -8.193 1.00 0.34 C ATOM 1601 CD2 LEU A 104 -9.287 -2.251 -10.099 1.00 0.41 C ATOM 0 H LEU A 104 -11.023 -0.055 -7.789 1.00 0.32 H new ATOM 0 HA LEU A 104 -11.755 -2.555 -9.260 1.00 0.31 H new ATOM 0 HB2 LEU A 104 -10.056 -2.274 -6.733 1.00 0.20 H new ATOM 0 HB3 LEU A 104 -10.120 -3.647 -7.820 1.00 0.20 H new ATOM 0 HG LEU A 104 -9.022 -0.868 -8.468 1.00 0.25 H new ATOM 0 HD11 LEU A 104 -6.907 -2.140 -8.785 1.00 0.34 H new ATOM 0 HD12 LEU A 104 -7.539 -2.364 -7.137 1.00 0.34 H new ATOM 0 HD13 LEU A 104 -7.749 -3.647 -8.353 1.00 0.34 H new ATOM 0 HD21 LEU A 104 -8.485 -1.815 -10.695 1.00 0.41 H new ATOM 0 HD22 LEU A 104 -9.306 -3.330 -10.250 1.00 0.41 H new ATOM 0 HD23 LEU A 104 -10.242 -1.824 -10.407 1.00 0.41 H new ATOM 1613 N VAL A 105 -13.222 -1.477 -6.680 1.00 0.44 N ATOM 1614 CA VAL A 105 -14.298 -1.805 -5.692 1.00 0.61 C ATOM 1615 C VAL A 105 -15.455 -2.526 -6.394 1.00 0.93 C ATOM 1616 O VAL A 105 -16.108 -3.295 -5.710 1.00 0.74 O ATOM 1617 CB VAL A 105 -14.811 -0.518 -5.036 1.00 0.31 C ATOM 1618 CG1 VAL A 105 -15.960 0.071 -5.867 1.00 0.18 C ATOM 1619 CG2 VAL A 105 -15.325 -0.847 -3.632 1.00 0.35 C ATOM 1620 OXT VAL A 105 -15.619 -2.264 -7.575 1.00 2.13 O ATOM 0 H VAL A 105 -13.020 -0.485 -6.804 1.00 0.44 H new ATOM 0 HA VAL A 105 -13.886 -2.460 -4.924 1.00 0.61 H new ATOM 0 HB VAL A 105 -14.000 0.208 -4.980 1.00 0.31 H new ATOM 0 HG11 VAL A 105 -16.319 0.985 -5.395 1.00 0.18 H new ATOM 0 HG12 VAL A 105 -15.603 0.298 -6.872 1.00 0.18 H new ATOM 0 HG13 VAL A 105 -16.774 -0.651 -5.925 1.00 0.18 H new ATOM 0 HG21 VAL A 105 -15.692 0.062 -3.157 1.00 0.35 H new ATOM 0 HG22 VAL A 105 -16.135 -1.573 -3.702 1.00 0.35 H new ATOM 0 HG23 VAL A 105 -14.514 -1.265 -3.036 1.00 0.35 H new