USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 659 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 132 SER OG : rot 36:sc= -1.58 USER MOD Set 1.2: A 136 GLN :FLIP amide:sc= -0.299 F(o=-3.7,f=-1.9) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 143:sc= -3.01! (180deg=-2.73!) USER MOD Set 2.2: A 105 GLN :FLIP amide:sc= -5.15! C(o=-13!,f=-8.2!) USER MOD Set 3.1: A 83 GLN :FLIP amide:sc= -0.17 F(o=-16!,f=-8.7) USER MOD Set 3.2: A 86 ASN :FLIP amide:sc= -8.5! C(o=-18!,f=-8.7!) USER MOD Set 4.1: A 60 HIS : no HD1:sc=-0.00448 X(o=-0.0045,f=-0.23) USER MOD Set 4.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -131:sc= 2.06 USER MOD Single : A 43 THR OG1 : rot 17:sc= -0.236 USER MOD Single : A 47 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 51 SER OG : rot -47:sc= 0.00455 USER MOD Single : A 69 ASN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 18:sc= 0.802 USER MOD Single : A 74 CYS SG : rot 65:sc= -0.526 USER MOD Single : A 76 SER OG : rot -34:sc= 0.208 USER MOD Single : A 77 TYR OH : rot 15:sc= -0.0143 USER MOD Single : A 80 SER OG : rot -66:sc= 1.23 USER MOD Single : A 82 GLN :FLIP amide:sc= -2.21! C(o=-5.8!,f=-2.2!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= 0.769 (180deg=0.377) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.55 F(o=-6.8!,f=-2.6) USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0104) USER MOD Single : A 99 ASN : amide:sc= -3.24! C(o=-3.2!,f=-3.1!) USER MOD Single : A 100 ASN : amide:sc= -9.25! C(o=-9.2!,f=-12!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= -0.0171 (180deg=-0.172) USER MOD Single : A 126 SER OG : rot -11:sc= 0.291 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 158:sc= -0.138 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 34 5.665 -9.462 1.158 1.00 0.39 N ATOM 30 CA ILE A 34 4.419 -8.712 1.144 1.00 0.25 C ATOM 31 C ILE A 34 3.209 -9.622 1.306 1.00 0.24 C ATOM 32 O ILE A 34 2.829 -10.348 0.388 1.00 0.25 O ATOM 33 CB ILE A 34 4.264 -7.891 -0.152 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.410 -6.891 -0.295 1.00 0.29 C ATOM 35 CG2 ILE A 34 2.922 -7.171 -0.177 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.446 -5.860 0.809 1.00 0.35 C ATOM 0 HA ILE A 34 4.464 -8.031 1.994 1.00 0.25 H new ATOM 0 HB ILE A 34 4.299 -8.579 -0.997 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.356 -7.433 -0.308 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.321 -6.382 -1.255 1.00 0.29 H new ATOM 0 HG21 ILE A 34 2.834 -6.598 -1.100 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.116 -7.903 -0.126 1.00 0.32 H new ATOM 0 HG23 ILE A 34 2.855 -6.497 0.677 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.284 -5.182 0.646 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.515 -5.293 0.808 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.566 -6.360 1.770 1.00 0.35 H new ATOM 48 N THR A 35 2.610 -9.567 2.486 1.00 0.25 N ATOM 49 CA THR A 35 1.427 -10.353 2.791 1.00 0.26 C ATOM 50 C THR A 35 0.306 -9.420 3.231 1.00 0.23 C ATOM 51 O THR A 35 0.339 -8.226 2.937 1.00 0.31 O ATOM 52 CB THR A 35 1.701 -11.380 3.907 1.00 0.33 C ATOM 53 OG1 THR A 35 2.083 -10.707 5.112 1.00 0.36 O ATOM 54 CG2 THR A 35 2.799 -12.349 3.493 1.00 0.35 C ATOM 0 H THR A 35 2.930 -8.978 3.255 1.00 0.25 H new ATOM 0 HA THR A 35 1.140 -10.898 1.892 1.00 0.26 H new ATOM 0 HB THR A 35 0.785 -11.945 4.082 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.253 -11.367 5.816 1.00 0.36 H new ATOM 0 HG21 THR A 35 2.975 -13.064 4.296 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.493 -12.882 2.593 1.00 0.35 H new ATOM 0 HG23 THR A 35 3.716 -11.795 3.293 1.00 0.35 H new ATOM 62 N LYS A 36 -0.692 -9.951 3.918 1.00 0.18 N ATOM 63 CA LYS A 36 -1.778 -9.112 4.397 1.00 0.15 C ATOM 64 C LYS A 36 -1.267 -8.208 5.504 1.00 0.12 C ATOM 65 O LYS A 36 -1.636 -7.043 5.591 1.00 0.14 O ATOM 66 CB LYS A 36 -2.950 -9.955 4.900 1.00 0.20 C ATOM 67 CG LYS A 36 -3.586 -9.409 6.171 1.00 0.27 C ATOM 68 CD LYS A 36 -4.573 -10.383 6.799 1.00 0.61 C ATOM 69 CE LYS A 36 -3.910 -11.698 7.181 1.00 0.57 C ATOM 70 NZ LYS A 36 -4.868 -12.637 7.828 1.00 0.99 N ATOM 0 H LYS A 36 -0.773 -10.940 4.153 1.00 0.18 H new ATOM 0 HA LYS A 36 -2.139 -8.505 3.567 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.708 -10.012 4.119 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.604 -10.972 5.084 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -2.803 -9.175 6.893 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.099 -8.475 5.943 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -5.016 -9.929 7.686 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -5.386 -10.577 6.100 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -3.490 -12.165 6.290 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -3.080 -11.502 7.860 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -4.377 -13.520 8.073 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -5.250 -12.202 8.692 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -5.647 -12.845 7.172 1.00 0.99 H new ATOM 84 N GLY A 37 -0.425 -8.775 6.352 1.00 0.13 N ATOM 85 CA GLY A 37 0.154 -8.033 7.462 1.00 0.14 C ATOM 86 C GLY A 37 0.806 -6.732 7.026 1.00 0.14 C ATOM 87 O GLY A 37 0.545 -5.678 7.608 1.00 0.15 O ATOM 0 H GLY A 37 -0.126 -9.748 6.294 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.625 -7.816 8.193 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.896 -8.656 7.962 1.00 0.14 H new ATOM 91 N VAL A 38 1.654 -6.804 6.004 1.00 0.15 N ATOM 92 CA VAL A 38 2.338 -5.618 5.493 1.00 0.16 C ATOM 93 C VAL A 38 1.321 -4.666 4.886 1.00 0.15 C ATOM 94 O VAL A 38 1.417 -3.446 5.023 1.00 0.16 O ATOM 95 CB VAL A 38 3.388 -5.987 4.419 1.00 0.21 C ATOM 96 CG1 VAL A 38 2.714 -6.536 3.177 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.250 -4.790 4.058 1.00 1.28 C ATOM 0 H VAL A 38 1.884 -7.668 5.514 1.00 0.15 H new ATOM 0 HA VAL A 38 2.852 -5.143 6.328 1.00 0.16 H new ATOM 0 HB VAL A 38 4.033 -6.758 4.840 1.00 0.21 H new ATOM 0 HG11 VAL A 38 3.471 -6.789 2.434 1.00 1.11 H new ATOM 0 HG12 VAL A 38 2.146 -7.430 3.436 1.00 1.11 H new ATOM 0 HG13 VAL A 38 2.040 -5.784 2.766 1.00 1.11 H new ATOM 0 HG21 VAL A 38 4.978 -5.081 3.301 1.00 1.28 H new ATOM 0 HG22 VAL A 38 3.619 -3.992 3.667 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.772 -4.437 4.947 1.00 1.28 H new ATOM 107 N VAL A 39 0.345 -5.258 4.213 1.00 0.14 N ATOM 108 CA VAL A 39 -0.717 -4.515 3.564 1.00 0.15 C ATOM 109 C VAL A 39 -1.548 -3.733 4.584 1.00 0.14 C ATOM 110 O VAL A 39 -1.969 -2.610 4.319 1.00 0.17 O ATOM 111 CB VAL A 39 -1.590 -5.474 2.725 1.00 0.15 C ATOM 112 CG1 VAL A 39 -3.066 -5.106 2.761 1.00 0.15 C ATOM 113 CG2 VAL A 39 -1.077 -5.507 1.295 1.00 0.17 C ATOM 0 H VAL A 39 0.270 -6.269 4.103 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.274 -3.781 2.891 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.511 -6.467 3.167 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.632 -5.813 2.155 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.425 -5.141 3.790 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.200 -4.100 2.365 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.693 -6.184 0.703 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.125 -4.505 0.868 1.00 0.17 H new ATOM 0 HG23 VAL A 39 -0.044 -5.856 1.287 1.00 0.17 H new ATOM 123 N LEU A 40 -1.782 -4.332 5.746 1.00 0.13 N ATOM 124 CA LEU A 40 -2.535 -3.671 6.802 1.00 0.14 C ATOM 125 C LEU A 40 -1.736 -2.500 7.359 1.00 0.14 C ATOM 126 O LEU A 40 -2.243 -1.384 7.464 1.00 0.15 O ATOM 127 CB LEU A 40 -2.876 -4.664 7.909 1.00 0.15 C ATOM 128 CG LEU A 40 -4.019 -5.620 7.572 1.00 0.16 C ATOM 129 CD1 LEU A 40 -3.938 -6.871 8.429 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.357 -4.927 7.767 1.00 0.21 C ATOM 0 H LEU A 40 -1.462 -5.272 5.979 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.467 -3.288 6.385 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -1.986 -5.249 8.142 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.137 -4.109 8.810 1.00 0.15 H new ATOM 0 HG LEU A 40 -3.928 -5.915 6.527 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.760 -7.540 8.175 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -2.989 -7.376 8.247 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.006 -6.596 9.482 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.164 -5.618 7.524 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.453 -4.608 8.805 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.415 -4.057 7.113 1.00 0.21 H new ATOM 142 N ASP A 41 -0.488 -2.762 7.730 1.00 0.16 N ATOM 143 CA ASP A 41 0.381 -1.708 8.236 1.00 0.18 C ATOM 144 C ASP A 41 0.376 -0.538 7.259 1.00 0.18 C ATOM 145 O ASP A 41 0.526 0.619 7.648 1.00 0.20 O ATOM 146 CB ASP A 41 1.806 -2.232 8.432 1.00 0.18 C ATOM 147 CG ASP A 41 2.752 -1.161 8.938 1.00 0.20 C ATOM 148 OD1 ASP A 41 3.329 -0.435 8.102 1.00 0.21 O ATOM 149 OD2 ASP A 41 2.915 -1.048 10.171 1.00 0.24 O ATOM 0 H ASP A 41 -0.059 -3.686 7.690 1.00 0.16 H new ATOM 0 HA ASP A 41 0.009 -1.372 9.204 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.791 -3.062 9.138 1.00 0.18 H new ATOM 0 HB3 ASP A 41 2.179 -2.625 7.486 1.00 0.18 H new ATOM 154 N SER A 42 0.201 -0.865 5.981 1.00 0.17 N ATOM 155 CA SER A 42 0.152 0.137 4.926 1.00 0.19 C ATOM 156 C SER A 42 -1.174 0.896 4.963 1.00 0.24 C ATOM 157 O SER A 42 -1.197 2.122 4.844 1.00 0.34 O ATOM 158 CB SER A 42 0.356 -0.525 3.560 1.00 0.21 C ATOM 159 OG SER A 42 1.600 -1.200 3.507 1.00 0.30 O ATOM 0 H SER A 42 0.090 -1.824 5.652 1.00 0.17 H new ATOM 0 HA SER A 42 0.957 0.854 5.090 1.00 0.19 H new ATOM 0 HB2 SER A 42 -0.453 -1.230 3.368 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.314 0.230 2.775 1.00 0.21 H new ATOM 0 HG SER A 42 2.072 -0.952 2.685 1.00 0.30 H new ATOM 165 N THR A 43 -2.277 0.164 5.129 1.00 0.20 N ATOM 166 CA THR A 43 -3.598 0.785 5.194 1.00 0.25 C ATOM 167 C THR A 43 -3.686 1.764 6.359 1.00 0.26 C ATOM 168 O THR A 43 -4.318 2.812 6.255 1.00 0.28 O ATOM 169 CB THR A 43 -4.727 -0.251 5.356 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.340 -1.278 6.270 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.090 -0.862 4.020 1.00 0.38 C ATOM 0 H THR A 43 -2.281 -0.852 5.220 1.00 0.20 H new ATOM 0 HA THR A 43 -3.729 1.308 4.246 1.00 0.25 H new ATOM 0 HB THR A 43 -5.601 0.264 5.754 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.567 -0.977 6.792 1.00 0.42 H new ATOM 0 HG21 THR A 43 -5.889 -1.590 4.158 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.427 -0.079 3.341 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.216 -1.358 3.597 1.00 0.38 H new ATOM 179 N GLU A 44 -3.056 1.402 7.474 1.00 0.25 N ATOM 180 CA GLU A 44 -3.067 2.235 8.668 1.00 0.27 C ATOM 181 C GLU A 44 -2.271 3.519 8.455 1.00 0.23 C ATOM 182 O GLU A 44 -2.773 4.613 8.698 1.00 0.21 O ATOM 183 CB GLU A 44 -2.495 1.458 9.849 1.00 0.31 C ATOM 184 CG GLU A 44 -3.069 1.879 11.185 1.00 0.65 C ATOM 185 CD GLU A 44 -2.549 1.041 12.335 1.00 0.79 C ATOM 186 OE1 GLU A 44 -3.152 -0.016 12.618 1.00 1.52 O ATOM 187 OE2 GLU A 44 -1.539 1.439 12.953 1.00 1.06 O ATOM 0 H GLU A 44 -2.530 0.533 7.573 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.100 2.509 8.880 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -2.684 0.395 9.700 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -1.413 1.589 9.870 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -2.827 2.926 11.366 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -4.156 1.804 11.149 1.00 0.65 H new ATOM 194 N ALA A 45 -1.026 3.372 8.012 1.00 0.26 N ATOM 195 CA ALA A 45 -0.155 4.519 7.769 1.00 0.26 C ATOM 196 C ALA A 45 -0.863 5.599 6.952 1.00 0.23 C ATOM 197 O ALA A 45 -0.830 6.781 7.304 1.00 0.23 O ATOM 198 CB ALA A 45 1.115 4.071 7.062 1.00 0.28 C ATOM 0 H ALA A 45 -0.596 2.468 7.813 1.00 0.26 H new ATOM 0 HA ALA A 45 0.106 4.952 8.735 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.757 4.934 6.886 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.642 3.348 7.684 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.857 3.610 6.109 1.00 0.28 H new ATOM 204 N LEU A 46 -1.521 5.189 5.874 1.00 0.22 N ATOM 205 CA LEU A 46 -2.230 6.131 5.019 1.00 0.21 C ATOM 206 C LEU A 46 -3.522 6.591 5.679 1.00 0.18 C ATOM 207 O LEU A 46 -3.873 7.767 5.612 1.00 0.16 O ATOM 208 CB LEU A 46 -2.510 5.509 3.649 1.00 0.23 C ATOM 209 CG LEU A 46 -3.463 4.317 3.657 1.00 0.23 C ATOM 210 CD1 LEU A 46 -4.893 4.785 3.460 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.078 3.322 2.580 1.00 0.30 C ATOM 0 H LEU A 46 -1.578 4.216 5.573 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.596 7.005 4.873 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.922 6.278 2.996 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.563 5.193 3.211 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.390 3.821 4.625 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.562 3.924 3.468 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.168 5.465 4.266 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -4.978 5.302 2.504 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -3.768 2.479 2.600 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.125 3.806 1.604 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.064 2.965 2.760 1.00 0.30 H new ATOM 223 N CYS A 47 -4.222 5.660 6.326 1.00 0.17 N ATOM 224 CA CYS A 47 -5.474 5.979 7.005 1.00 0.16 C ATOM 225 C CYS A 47 -5.259 7.104 8.006 1.00 0.16 C ATOM 226 O CYS A 47 -6.095 7.997 8.147 1.00 0.20 O ATOM 227 CB CYS A 47 -6.027 4.744 7.719 1.00 0.19 C ATOM 228 SG CYS A 47 -7.532 5.054 8.674 1.00 0.23 S ATOM 0 H CYS A 47 -3.943 4.681 6.393 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.197 6.304 6.257 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.232 3.971 6.978 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.261 4.350 8.387 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.923 3.950 9.238 1.00 0.23 H new ATOM 234 N LEU A 48 -4.127 7.053 8.700 1.00 0.17 N ATOM 235 CA LEU A 48 -3.784 8.070 9.680 1.00 0.18 C ATOM 236 C LEU A 48 -3.455 9.376 8.978 1.00 0.18 C ATOM 237 O LEU A 48 -3.750 10.454 9.492 1.00 0.23 O ATOM 238 CB LEU A 48 -2.609 7.608 10.544 1.00 0.21 C ATOM 239 CG LEU A 48 -3.001 6.855 11.821 1.00 0.23 C ATOM 240 CD1 LEU A 48 -3.485 7.827 12.885 1.00 1.20 C ATOM 241 CD2 LEU A 48 -4.076 5.817 11.525 1.00 1.14 C ATOM 0 H LEU A 48 -3.431 6.314 8.599 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.641 8.232 10.334 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.967 6.964 9.943 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -2.017 8.480 10.822 1.00 0.21 H new ATOM 0 HG LEU A 48 -2.118 6.339 12.197 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -3.759 7.275 13.784 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -2.689 8.534 13.121 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -4.354 8.370 12.514 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -4.340 5.294 12.444 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -4.960 6.313 11.123 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -3.699 5.100 10.795 1.00 1.14 H new ATOM 253 N ALA A 49 -2.838 9.277 7.803 1.00 0.16 N ATOM 254 CA ALA A 49 -2.509 10.464 7.029 1.00 0.18 C ATOM 255 C ALA A 49 -3.778 11.236 6.711 1.00 0.18 C ATOM 256 O ALA A 49 -3.793 12.467 6.740 1.00 0.28 O ATOM 257 CB ALA A 49 -1.780 10.095 5.751 1.00 0.19 C ATOM 0 H ALA A 49 -2.559 8.395 7.372 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.846 11.093 7.623 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.546 11.001 5.191 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.856 9.572 5.997 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.413 9.447 5.145 1.00 0.19 H new ATOM 263 N ILE A 50 -4.849 10.502 6.406 1.00 0.12 N ATOM 264 CA ILE A 50 -6.131 11.125 6.111 1.00 0.14 C ATOM 265 C ILE A 50 -6.702 11.702 7.396 1.00 0.18 C ATOM 266 O ILE A 50 -7.427 12.698 7.385 1.00 0.21 O ATOM 267 CB ILE A 50 -7.162 10.138 5.508 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.483 9.034 4.692 1.00 0.15 C ATOM 269 CG2 ILE A 50 -8.131 10.900 4.622 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.436 7.950 4.231 1.00 0.18 C ATOM 0 H ILE A 50 -4.851 9.483 6.358 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.950 11.900 5.366 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.695 9.664 6.332 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -6.004 9.480 3.821 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.694 8.582 5.293 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.857 10.207 4.197 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.651 11.652 5.215 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.581 11.388 3.817 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.887 7.202 3.659 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.897 7.478 5.099 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.211 8.390 3.603 1.00 0.18 H new ATOM 282 N SER A 51 -6.359 11.055 8.507 1.00 0.25 N ATOM 283 CA SER A 51 -6.799 11.489 9.823 1.00 0.31 C ATOM 284 C SER A 51 -5.940 12.657 10.291 1.00 0.35 C ATOM 285 O SER A 51 -6.277 13.352 11.250 1.00 0.40 O ATOM 286 CB SER A 51 -6.693 10.336 10.828 1.00 0.35 C ATOM 287 OG SER A 51 -7.472 10.591 11.984 1.00 0.45 O ATOM 0 H SER A 51 -5.772 10.221 8.517 1.00 0.25 H new ATOM 0 HA SER A 51 -7.840 11.805 9.759 1.00 0.31 H new ATOM 0 HB2 SER A 51 -7.025 9.410 10.359 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.651 10.193 11.113 1.00 0.35 H new ATOM 0 HG SER A 51 -7.300 11.502 12.300 1.00 0.45 H new ATOM 293 N ARG A 52 -4.825 12.860 9.594 1.00 0.33 N ATOM 294 CA ARG A 52 -3.895 13.930 9.921 1.00 0.40 C ATOM 295 C ARG A 52 -4.202 15.196 9.130 1.00 0.41 C ATOM 296 O ARG A 52 -3.728 16.281 9.470 1.00 0.85 O ATOM 297 CB ARG A 52 -2.463 13.483 9.650 1.00 0.46 C ATOM 298 CG ARG A 52 -1.886 12.625 10.759 1.00 1.01 C ATOM 299 CD ARG A 52 -0.712 11.811 10.261 1.00 1.09 C ATOM 300 NE ARG A 52 0.413 12.655 9.867 1.00 1.61 N ATOM 301 CZ ARG A 52 1.612 12.182 9.540 1.00 1.97 C ATOM 302 NH1 ARG A 52 1.841 10.876 9.559 1.00 1.88 N ATOM 303 NH2 ARG A 52 2.583 13.016 9.195 1.00 2.91 N ATOM 0 H ARG A 52 -4.545 12.292 8.795 1.00 0.33 H new ATOM 0 HA ARG A 52 -4.009 14.158 10.981 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.434 12.924 8.715 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -1.834 14.363 9.515 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -1.568 13.260 11.586 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -2.657 11.959 11.146 1.00 1.01 H new ATOM 0 HD2 ARG A 52 -0.392 11.122 11.042 1.00 1.09 H new ATOM 0 HD3 ARG A 52 -1.026 11.205 9.411 1.00 1.09 H new ATOM 0 HE ARG A 52 0.271 13.665 9.841 1.00 1.61 H new ATOM 0 HH11 ARG A 52 1.096 10.231 9.825 1.00 1.88 H new ATOM 0 HH12 ARG A 52 2.762 10.516 9.308 1.00 1.88 H new ATOM 0 HH21 ARG A 52 2.411 14.021 9.180 1.00 2.91 H new ATOM 0 HH22 ARG A 52 3.502 12.652 8.944 1.00 2.91 H new ATOM 412 N HIS A 60 -2.925 15.919 1.404 1.00 0.54 N ATOM 413 CA HIS A 60 -3.708 14.951 0.649 1.00 0.41 C ATOM 414 C HIS A 60 -2.778 14.033 -0.138 1.00 0.37 C ATOM 415 O HIS A 60 -3.173 12.951 -0.570 1.00 0.60 O ATOM 416 CB HIS A 60 -4.682 15.666 -0.296 1.00 0.56 C ATOM 417 CG HIS A 60 -4.132 15.907 -1.668 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.055 16.735 -1.873 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.534 15.399 -2.858 1.00 0.48 C ATOM 420 CE1 HIS A 60 -2.826 16.712 -3.174 1.00 1.30 C ATOM 421 NE2 HIS A 60 -3.697 15.915 -3.812 1.00 0.80 N ATOM 0 HA HIS A 60 -4.291 14.349 1.347 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.593 15.073 -0.380 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -4.964 16.622 0.145 1.00 0.56 H new ATOM 0 HD2 HIS A 60 -5.356 14.718 -3.023 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -2.037 17.265 -3.662 1.00 1.30 H new ATOM 0 HE2 HIS A 60 -3.730 15.729 -4.814 1.00 0.80 H new ATOM 429 N SER A 61 -1.540 14.485 -0.322 1.00 0.33 N ATOM 430 CA SER A 61 -0.540 13.711 -1.045 1.00 0.40 C ATOM 431 C SER A 61 0.023 12.612 -0.153 1.00 0.29 C ATOM 432 O SER A 61 0.738 11.727 -0.617 1.00 0.28 O ATOM 433 CB SER A 61 0.589 14.617 -1.537 1.00 0.58 C ATOM 434 OG SER A 61 0.093 15.631 -2.393 1.00 1.58 O ATOM 0 H SER A 61 -1.207 15.386 0.021 1.00 0.33 H new ATOM 0 HA SER A 61 -1.020 13.253 -1.910 1.00 0.40 H new ATOM 0 HB2 SER A 61 1.093 15.071 -0.684 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.333 14.022 -2.066 1.00 0.58 H new ATOM 0 HG SER A 61 0.834 16.198 -2.693 1.00 1.58 H new ATOM 440 N ALA A 62 -0.299 12.684 1.134 1.00 0.26 N ATOM 441 CA ALA A 62 0.158 11.689 2.097 1.00 0.24 C ATOM 442 C ALA A 62 -0.670 10.415 1.971 1.00 0.19 C ATOM 443 O ALA A 62 -0.132 9.310 1.945 1.00 0.21 O ATOM 444 CB ALA A 62 0.075 12.248 3.510 1.00 0.33 C ATOM 0 H ALA A 62 -0.876 13.423 1.535 1.00 0.26 H new ATOM 0 HA ALA A 62 1.199 11.444 1.885 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.419 11.496 4.220 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.704 13.135 3.588 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.958 12.515 3.736 1.00 0.33 H new ATOM 450 N VAL A 63 -1.984 10.588 1.892 1.00 0.18 N ATOM 451 CA VAL A 63 -2.905 9.465 1.746 1.00 0.16 C ATOM 452 C VAL A 63 -2.852 8.933 0.319 1.00 0.15 C ATOM 453 O VAL A 63 -3.096 7.757 0.067 1.00 0.18 O ATOM 454 CB VAL A 63 -4.354 9.875 2.098 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.624 11.317 1.695 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.369 8.944 1.442 1.00 0.19 C ATOM 0 H VAL A 63 -2.439 11.500 1.927 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.596 8.684 2.440 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.464 9.790 3.179 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.650 11.581 1.953 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.936 11.977 2.223 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.481 11.427 0.620 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.378 9.259 1.709 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.252 8.983 0.359 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -5.204 7.924 1.788 1.00 0.19 H new ATOM 466 N LEU A 64 -2.551 9.832 -0.601 1.00 0.16 N ATOM 467 CA LEU A 64 -2.438 9.503 -2.017 1.00 0.18 C ATOM 468 C LEU A 64 -1.146 8.739 -2.305 1.00 0.20 C ATOM 469 O LEU A 64 -1.173 7.682 -2.933 1.00 0.24 O ATOM 470 CB LEU A 64 -2.493 10.788 -2.855 1.00 0.17 C ATOM 471 CG LEU A 64 -2.973 10.630 -4.304 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.853 10.107 -5.192 1.00 0.23 C ATOM 473 CD2 LEU A 64 -4.187 9.712 -4.374 1.00 0.24 C ATOM 0 H LEU A 64 -2.377 10.815 -0.390 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.275 8.859 -2.288 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.150 11.498 -2.352 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.497 11.231 -2.870 1.00 0.17 H new ATOM 0 HG LEU A 64 -3.267 11.613 -4.671 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -2.217 10.003 -6.214 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -1.017 10.807 -5.174 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.521 9.136 -4.825 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.510 9.614 -5.410 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.923 8.730 -3.982 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.997 10.134 -3.780 1.00 0.24 H new ATOM 485 N GLU A 65 -0.016 9.279 -1.847 1.00 0.19 N ATOM 486 CA GLU A 65 1.276 8.630 -2.054 1.00 0.22 C ATOM 487 C GLU A 65 1.307 7.296 -1.319 1.00 0.20 C ATOM 488 O GLU A 65 1.665 6.264 -1.887 1.00 0.21 O ATOM 489 CB GLU A 65 2.416 9.528 -1.565 1.00 0.23 C ATOM 490 CG GLU A 65 3.795 8.904 -1.716 1.00 0.32 C ATOM 491 CD GLU A 65 4.135 8.579 -3.157 1.00 1.32 C ATOM 492 OE1 GLU A 65 4.621 9.482 -3.870 1.00 1.65 O ATOM 493 OE2 GLU A 65 3.916 7.423 -3.572 1.00 2.32 O ATOM 0 H GLU A 65 0.030 10.159 -1.333 1.00 0.19 H new ATOM 0 HA GLU A 65 1.412 8.455 -3.121 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.390 10.467 -2.118 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.250 9.771 -0.516 1.00 0.23 H new ATOM 0 HG2 GLU A 65 4.544 9.587 -1.315 1.00 0.32 H new ATOM 0 HG3 GLU A 65 3.844 7.992 -1.121 1.00 0.32 H new ATOM 500 N ALA A 66 0.920 7.334 -0.050 1.00 0.18 N ATOM 501 CA ALA A 66 0.872 6.129 0.758 1.00 0.16 C ATOM 502 C ALA A 66 -0.217 5.230 0.206 1.00 0.22 C ATOM 503 O ALA A 66 -0.168 4.007 0.335 1.00 0.29 O ATOM 504 CB ALA A 66 0.610 6.462 2.220 1.00 0.16 C ATOM 0 H ALA A 66 0.637 8.184 0.437 1.00 0.18 H new ATOM 0 HA ALA A 66 1.834 5.618 0.713 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.579 5.541 2.803 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.408 7.103 2.596 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.345 6.981 2.310 1.00 0.16 H new ATOM 510 N GLY A 67 -1.205 5.868 -0.417 1.00 0.29 N ATOM 511 CA GLY A 67 -2.306 5.152 -1.014 1.00 0.40 C ATOM 512 C GLY A 67 -1.863 4.280 -2.173 1.00 0.26 C ATOM 513 O GLY A 67 -2.251 3.115 -2.271 1.00 0.25 O ATOM 0 H GLY A 67 -1.257 6.882 -0.516 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.786 4.531 -0.257 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -3.054 5.864 -1.363 1.00 0.40 H new ATOM 517 N LYS A 68 -1.046 4.856 -3.053 1.00 0.21 N ATOM 518 CA LYS A 68 -0.538 4.145 -4.216 1.00 0.15 C ATOM 519 C LYS A 68 0.288 2.943 -3.788 1.00 0.16 C ATOM 520 O LYS A 68 0.157 1.855 -4.349 1.00 0.21 O ATOM 521 CB LYS A 68 0.317 5.077 -5.076 1.00 0.18 C ATOM 522 CG LYS A 68 0.001 4.993 -6.558 1.00 0.66 C ATOM 523 CD LYS A 68 -1.378 5.553 -6.857 1.00 0.65 C ATOM 524 CE LYS A 68 -1.362 7.071 -6.892 1.00 0.73 C ATOM 525 NZ LYS A 68 -2.715 7.636 -7.152 1.00 0.83 N ATOM 0 H LYS A 68 -0.722 5.820 -2.978 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.389 3.798 -4.802 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.172 6.104 -4.739 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.369 4.837 -4.923 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.751 5.545 -7.124 1.00 0.66 H new ATOM 0 HG3 LYS A 68 0.054 3.955 -6.886 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.729 5.169 -7.815 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -2.083 5.212 -6.099 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -0.986 7.452 -5.942 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -0.673 7.409 -7.666 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -2.840 8.506 -6.597 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -2.811 7.854 -8.164 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.440 6.943 -6.877 1.00 0.83 H new ATOM 539 N ASN A 69 1.139 3.151 -2.790 1.00 0.16 N ATOM 540 CA ASN A 69 1.991 2.094 -2.272 1.00 0.19 C ATOM 541 C ASN A 69 1.160 0.916 -1.773 1.00 0.20 C ATOM 542 O ASN A 69 1.494 -0.243 -2.021 1.00 0.23 O ATOM 543 CB ASN A 69 2.860 2.648 -1.141 1.00 0.21 C ATOM 544 CG ASN A 69 4.145 3.271 -1.652 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.160 2.592 -1.803 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.108 4.572 -1.913 1.00 0.30 N ATOM 0 H ASN A 69 1.256 4.050 -2.322 1.00 0.16 H new ATOM 0 HA ASN A 69 2.630 1.734 -3.078 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.294 3.394 -0.584 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.101 1.845 -0.444 1.00 0.21 H new ATOM 0 HD21 ASN A 69 4.944 5.048 -2.253 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.244 5.096 -1.773 1.00 0.30 H new ATOM 553 N LEU A 70 0.067 1.220 -1.084 1.00 0.20 N ATOM 554 CA LEU A 70 -0.810 0.182 -0.556 1.00 0.21 C ATOM 555 C LEU A 70 -1.388 -0.654 -1.691 1.00 0.19 C ATOM 556 O LEU A 70 -1.377 -1.884 -1.639 1.00 0.21 O ATOM 557 CB LEU A 70 -1.943 0.803 0.257 1.00 0.24 C ATOM 558 CG LEU A 70 -2.995 -0.188 0.747 1.00 0.28 C ATOM 559 CD1 LEU A 70 -2.517 -0.897 1.998 1.00 1.00 C ATOM 560 CD2 LEU A 70 -4.316 0.517 0.996 1.00 1.41 C ATOM 0 H LEU A 70 -0.233 2.173 -0.878 1.00 0.20 H new ATOM 0 HA LEU A 70 -0.221 -0.464 0.095 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.515 1.314 1.120 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.434 1.562 -0.351 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.151 -0.938 -0.029 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -3.280 -1.599 2.332 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -1.596 -1.438 1.780 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.330 -0.164 2.783 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.054 -0.205 1.345 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -4.179 1.290 1.752 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -4.665 0.974 0.070 1.00 1.41 H new ATOM 572 N TYR A 71 -1.894 0.027 -2.716 1.00 0.15 N ATOM 573 CA TYR A 71 -2.471 -0.647 -3.872 1.00 0.14 C ATOM 574 C TYR A 71 -1.441 -1.568 -4.513 1.00 0.14 C ATOM 575 O TYR A 71 -1.776 -2.646 -5.002 1.00 0.16 O ATOM 576 CB TYR A 71 -2.972 0.386 -4.896 1.00 0.14 C ATOM 577 CG TYR A 71 -3.128 -0.155 -6.303 1.00 0.13 C ATOM 578 CD1 TYR A 71 -4.316 -0.753 -6.711 1.00 0.75 C ATOM 579 CD2 TYR A 71 -2.088 -0.074 -7.219 1.00 0.71 C ATOM 580 CE1 TYR A 71 -4.461 -1.250 -7.993 1.00 0.75 C ATOM 581 CE2 TYR A 71 -2.225 -0.569 -8.502 1.00 0.72 C ATOM 582 CZ TYR A 71 -3.419 -1.144 -8.887 1.00 0.16 C ATOM 583 OH TYR A 71 -3.552 -1.650 -10.159 1.00 0.19 O ATOM 0 H TYR A 71 -1.915 1.045 -2.768 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.318 -1.247 -3.539 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.933 0.776 -4.561 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.277 1.226 -4.917 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -5.138 -0.830 -6.015 1.00 0.75 H new ATOM 0 HD2 TYR A 71 -1.155 0.384 -6.924 1.00 0.71 H new ATOM 0 HE1 TYR A 71 -5.387 -1.719 -8.292 1.00 0.75 H new ATOM 0 HE2 TYR A 71 -1.403 -0.506 -9.199 1.00 0.72 H new ATOM 0 HH TYR A 71 -2.726 -1.492 -10.662 1.00 0.19 H new ATOM 593 N SER A 72 -0.182 -1.139 -4.494 1.00 0.14 N ATOM 594 CA SER A 72 0.897 -1.915 -5.091 1.00 0.17 C ATOM 595 C SER A 72 1.374 -3.044 -4.181 1.00 0.13 C ATOM 596 O SER A 72 1.984 -4.006 -4.660 1.00 0.32 O ATOM 597 CB SER A 72 2.070 -1.007 -5.465 1.00 0.29 C ATOM 598 OG SER A 72 2.516 -0.253 -4.353 1.00 1.13 O ATOM 0 H SER A 72 0.114 -0.259 -4.072 1.00 0.14 H new ATOM 0 HA SER A 72 0.495 -2.374 -5.994 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.892 -1.612 -5.849 1.00 0.29 H new ATOM 0 HB3 SER A 72 1.769 -0.332 -6.266 1.00 0.29 H new ATOM 0 HG SER A 72 2.186 -0.663 -3.526 1.00 1.13 H new ATOM 604 N PHE A 73 1.074 -2.978 -2.880 1.00 0.20 N ATOM 605 CA PHE A 73 1.516 -4.046 -1.988 1.00 0.17 C ATOM 606 C PHE A 73 0.556 -5.211 -2.127 1.00 0.13 C ATOM 607 O PHE A 73 0.966 -6.366 -2.240 1.00 0.15 O ATOM 608 CB PHE A 73 1.562 -3.598 -0.523 1.00 0.24 C ATOM 609 CG PHE A 73 2.500 -2.458 -0.246 1.00 0.24 C ATOM 610 CD1 PHE A 73 3.764 -2.414 -0.815 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.114 -1.433 0.599 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.621 -1.364 -0.547 1.00 0.28 C ATOM 613 CE2 PHE A 73 2.964 -0.381 0.870 1.00 0.23 C ATOM 614 CZ PHE A 73 4.221 -0.346 0.297 1.00 0.26 C ATOM 0 H PHE A 73 0.547 -2.226 -2.437 1.00 0.20 H new ATOM 0 HA PHE A 73 2.529 -4.332 -2.271 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.558 -3.308 -0.214 1.00 0.24 H new ATOM 0 HB3 PHE A 73 1.852 -4.448 0.094 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.082 -3.208 -1.474 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.134 -1.457 1.053 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.603 -1.339 -0.997 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.648 0.414 1.529 1.00 0.23 H new ATOM 0 HZ PHE A 73 4.889 0.476 0.509 1.00 0.26 H new ATOM 624 N CYS A 74 -0.734 -4.891 -2.141 1.00 0.15 N ATOM 625 CA CYS A 74 -1.757 -5.900 -2.306 1.00 0.20 C ATOM 626 C CYS A 74 -1.691 -6.450 -3.725 1.00 0.16 C ATOM 627 O CYS A 74 -2.068 -7.592 -3.982 1.00 0.27 O ATOM 628 CB CYS A 74 -3.146 -5.307 -2.047 1.00 0.31 C ATOM 629 SG CYS A 74 -3.215 -4.135 -0.673 1.00 0.90 S ATOM 0 H CYS A 74 -1.089 -3.940 -2.040 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.584 -6.701 -1.588 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -3.488 -4.806 -2.953 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.844 -6.121 -1.849 1.00 0.31 H new ATOM 0 HG CYS A 74 -2.500 -3.088 -0.960 1.00 0.90 H new ATOM 635 N VAL A 75 -1.201 -5.617 -4.644 1.00 0.25 N ATOM 636 CA VAL A 75 -1.076 -5.999 -6.045 1.00 0.28 C ATOM 637 C VAL A 75 -0.048 -7.112 -6.213 1.00 0.27 C ATOM 638 O VAL A 75 -0.226 -8.009 -7.036 1.00 0.29 O ATOM 639 CB VAL A 75 -0.693 -4.779 -6.925 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.711 -4.913 -7.502 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.712 -4.581 -8.034 1.00 0.43 C ATOM 0 H VAL A 75 -0.884 -4.670 -4.439 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.047 -6.368 -6.375 1.00 0.28 H new ATOM 0 HB VAL A 75 -0.697 -3.898 -6.283 1.00 0.37 H new ATOM 0 HG11 VAL A 75 0.939 -4.038 -8.111 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.433 -4.987 -6.689 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.767 -5.810 -8.119 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.427 -3.721 -8.641 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.746 -5.472 -8.661 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -2.696 -4.407 -7.598 1.00 0.43 H new ATOM 651 N SER A 76 1.035 -7.049 -5.441 1.00 0.27 N ATOM 652 CA SER A 76 2.069 -8.075 -5.509 1.00 0.28 C ATOM 653 C SER A 76 1.775 -9.183 -4.500 1.00 0.23 C ATOM 654 O SER A 76 2.418 -10.233 -4.506 1.00 0.26 O ATOM 655 CB SER A 76 3.446 -7.466 -5.236 1.00 0.32 C ATOM 656 OG SER A 76 4.468 -8.442 -5.352 1.00 0.90 O ATOM 0 H SER A 76 1.217 -6.305 -4.768 1.00 0.27 H new ATOM 0 HA SER A 76 2.071 -8.501 -6.512 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.633 -6.654 -5.938 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.464 -7.033 -4.236 1.00 0.32 H new ATOM 0 HG SER A 76 4.128 -9.310 -5.049 1.00 0.90 H new ATOM 662 N TYR A 77 0.796 -8.930 -3.637 1.00 0.18 N ATOM 663 CA TYR A 77 0.399 -9.889 -2.611 1.00 0.16 C ATOM 664 C TYR A 77 -0.711 -10.820 -3.113 1.00 0.17 C ATOM 665 O TYR A 77 -0.820 -11.960 -2.662 1.00 0.20 O ATOM 666 CB TYR A 77 -0.048 -9.138 -1.349 1.00 0.16 C ATOM 667 CG TYR A 77 -1.195 -9.786 -0.614 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.957 -10.743 0.358 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.511 -9.435 -0.884 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.995 -11.334 1.044 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.557 -10.022 -0.204 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.315 -10.987 0.716 1.00 0.21 C ATOM 673 OH TYR A 77 -4.334 -11.557 1.446 1.00 0.25 O ATOM 0 H TYR A 77 0.259 -8.063 -3.628 1.00 0.18 H new ATOM 0 HA TYR A 77 1.259 -10.513 -2.370 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.801 -9.053 -0.671 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.336 -8.124 -1.627 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.060 -11.031 0.582 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.719 -8.691 -1.638 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.796 -12.054 1.824 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.572 -9.712 -0.405 1.00 0.22 H new ATOM 0 HH TYR A 77 -3.967 -11.958 2.262 1.00 0.25 H new ATOM 683 N VAL A 78 -1.527 -10.335 -4.045 1.00 0.19 N ATOM 684 CA VAL A 78 -2.626 -11.135 -4.588 1.00 0.25 C ATOM 685 C VAL A 78 -2.112 -12.334 -5.381 1.00 0.27 C ATOM 686 O VAL A 78 -2.876 -13.229 -5.742 1.00 0.25 O ATOM 687 CB VAL A 78 -3.554 -10.296 -5.488 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.475 -9.434 -4.647 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.746 -9.445 -6.455 1.00 0.72 C ATOM 0 H VAL A 78 -1.451 -9.397 -4.440 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.195 -11.493 -3.730 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.169 -10.978 -6.075 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -5.123 -8.849 -5.300 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.085 -10.071 -4.007 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -3.880 -8.762 -4.029 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.423 -8.862 -7.080 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -2.099 -8.771 -5.893 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -2.136 -10.091 -7.086 1.00 0.72 H new ATOM 699 N ASP A 79 -0.816 -12.337 -5.653 1.00 0.36 N ATOM 700 CA ASP A 79 -0.190 -13.423 -6.396 1.00 0.41 C ATOM 701 C ASP A 79 -0.126 -14.693 -5.550 1.00 0.43 C ATOM 702 O ASP A 79 0.315 -15.743 -6.018 1.00 0.51 O ATOM 703 CB ASP A 79 1.218 -13.018 -6.841 1.00 0.48 C ATOM 704 CG ASP A 79 1.876 -14.065 -7.717 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.621 -14.063 -8.938 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.647 -14.888 -7.179 1.00 0.93 O ATOM 0 H ASP A 79 -0.174 -11.597 -5.370 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.797 -13.626 -7.278 1.00 0.41 H new ATOM 0 HB2 ASP A 79 1.166 -12.075 -7.385 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.837 -12.844 -5.961 1.00 0.48 H new ATOM 711 N SER A 80 -0.577 -14.586 -4.304 1.00 0.41 N ATOM 712 CA SER A 80 -0.562 -15.714 -3.388 1.00 0.46 C ATOM 713 C SER A 80 -1.969 -16.086 -2.917 1.00 0.42 C ATOM 714 O SER A 80 -2.128 -16.979 -2.084 1.00 0.46 O ATOM 715 CB SER A 80 0.310 -15.378 -2.183 1.00 0.52 C ATOM 716 OG SER A 80 -0.124 -14.185 -1.554 1.00 1.49 O ATOM 0 H SER A 80 -0.957 -13.726 -3.908 1.00 0.41 H new ATOM 0 HA SER A 80 -0.154 -16.573 -3.921 1.00 0.46 H new ATOM 0 HB2 SER A 80 0.280 -16.201 -1.468 1.00 0.52 H new ATOM 0 HB3 SER A 80 1.347 -15.269 -2.500 1.00 0.52 H new ATOM 0 HG SER A 80 0.017 -13.427 -2.158 1.00 1.49 H new ATOM 722 N ILE A 81 -2.985 -15.405 -3.445 1.00 0.38 N ATOM 723 CA ILE A 81 -4.365 -15.679 -3.053 1.00 0.38 C ATOM 724 C ILE A 81 -4.733 -17.152 -3.246 1.00 0.51 C ATOM 725 O ILE A 81 -5.503 -17.712 -2.467 1.00 1.39 O ATOM 726 CB ILE A 81 -5.373 -14.795 -3.823 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.141 -13.298 -3.570 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.788 -15.165 -3.432 1.00 0.40 C ATOM 729 CD1 ILE A 81 -4.850 -12.947 -2.124 1.00 0.56 C ATOM 0 H ILE A 81 -2.880 -14.666 -4.140 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.427 -15.438 -1.992 1.00 0.38 H new ATOM 0 HB ILE A 81 -5.221 -14.978 -4.887 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.308 -12.962 -4.188 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -6.023 -12.746 -3.895 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.492 -14.538 -3.979 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.970 -16.212 -3.674 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -6.921 -15.012 -2.361 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -4.699 -11.871 -2.034 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -5.691 -13.249 -1.500 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -3.950 -13.468 -1.797 1.00 0.56 H new ATOM 741 N GLN A 82 -4.147 -17.765 -4.267 1.00 0.92 N ATOM 742 CA GLN A 82 -4.368 -19.177 -4.606 1.00 0.92 C ATOM 743 C GLN A 82 -5.818 -19.498 -4.974 1.00 0.93 C ATOM 744 O GLN A 82 -6.109 -19.863 -6.113 1.00 1.11 O ATOM 745 CB GLN A 82 -3.934 -20.069 -3.442 1.00 0.98 C ATOM 746 CG GLN A 82 -3.405 -21.431 -3.872 1.00 1.54 C ATOM 747 CD GLN A 82 -4.437 -22.289 -4.591 1.00 1.78 C ATOM 748 OE1 GLN A 82 -5.715 -22.066 -4.302 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -4.086 -23.138 -5.409 1.00 1.43 N flip ATOM 0 H GLN A 82 -3.495 -17.295 -4.895 1.00 0.92 H new ATOM 0 HA GLN A 82 -3.763 -19.375 -5.491 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -3.162 -19.554 -2.871 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -4.782 -20.214 -2.773 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -2.546 -21.287 -4.527 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -3.049 -21.967 -2.992 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -3.095 -23.280 -5.604 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -4.786 -23.700 -5.893 1.00 1.43 H new ATOM 758 N GLN A 83 -6.706 -19.385 -3.991 1.00 0.85 N ATOM 759 CA GLN A 83 -8.123 -19.699 -4.144 1.00 0.93 C ATOM 760 C GLN A 83 -8.757 -19.117 -5.415 1.00 0.96 C ATOM 761 O GLN A 83 -9.894 -19.454 -5.738 1.00 1.85 O ATOM 762 CB GLN A 83 -8.864 -19.224 -2.902 1.00 0.93 C ATOM 763 CG GLN A 83 -8.966 -20.277 -1.818 1.00 1.39 C ATOM 764 CD GLN A 83 -9.884 -19.879 -0.674 1.00 2.06 C ATOM 765 OE1 GLN A 83 -9.927 -18.589 -0.358 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -10.541 -20.729 -0.072 1.00 2.55 N flip ATOM 0 H GLN A 83 -6.459 -19.069 -3.053 1.00 0.85 H new ATOM 0 HA GLN A 83 -8.208 -20.780 -4.255 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -8.356 -18.348 -2.499 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -9.868 -18.908 -3.186 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -9.328 -21.206 -2.258 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -7.970 -20.478 -1.422 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -10.480 -21.710 -0.346 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -11.147 -20.452 0.701 1.00 2.55 H new ATOM 775 N MET A 84 -8.022 -18.254 -6.116 1.00 0.95 N ATOM 776 CA MET A 84 -8.467 -17.633 -7.377 1.00 0.91 C ATOM 777 C MET A 84 -9.885 -17.030 -7.329 1.00 0.86 C ATOM 778 O MET A 84 -10.031 -15.811 -7.394 1.00 0.93 O ATOM 779 CB MET A 84 -8.313 -18.610 -8.561 1.00 1.14 C ATOM 780 CG MET A 84 -8.640 -20.069 -8.257 1.00 1.34 C ATOM 781 SD MET A 84 -8.378 -21.145 -9.680 1.00 1.97 S ATOM 782 CE MET A 84 -8.917 -22.720 -9.020 1.00 2.71 C ATOM 0 H MET A 84 -7.090 -17.959 -5.827 1.00 0.95 H new ATOM 0 HA MET A 84 -7.803 -16.782 -7.530 1.00 0.91 H new ATOM 0 HB2 MET A 84 -8.957 -18.273 -9.373 1.00 1.14 H new ATOM 0 HB3 MET A 84 -7.287 -18.554 -8.924 1.00 1.14 H new ATOM 0 HG2 MET A 84 -8.021 -20.412 -7.427 1.00 1.34 H new ATOM 0 HG3 MET A 84 -9.678 -20.146 -7.933 1.00 1.34 H new ATOM 0 HE1 MET A 84 -8.815 -23.489 -9.785 1.00 2.71 H new ATOM 0 HE2 MET A 84 -8.304 -22.982 -8.158 1.00 2.71 H new ATOM 0 HE3 MET A 84 -9.961 -22.649 -8.715 1.00 2.71 H new ATOM 792 N ARG A 85 -10.928 -17.858 -7.251 1.00 0.91 N ATOM 793 CA ARG A 85 -12.301 -17.348 -7.204 1.00 0.92 C ATOM 794 C ARG A 85 -12.432 -16.244 -6.157 1.00 0.87 C ATOM 795 O ARG A 85 -13.102 -15.235 -6.378 1.00 1.16 O ATOM 796 CB ARG A 85 -13.284 -18.480 -6.895 1.00 1.03 C ATOM 797 CG ARG A 85 -14.727 -18.014 -6.784 1.00 1.44 C ATOM 798 CD ARG A 85 -15.675 -19.174 -6.525 1.00 1.51 C ATOM 799 NE ARG A 85 -15.722 -20.108 -7.648 1.00 1.72 N ATOM 800 CZ ARG A 85 -16.664 -21.035 -7.796 1.00 1.89 C ATOM 801 NH1 ARG A 85 -17.627 -21.158 -6.892 1.00 1.65 N ATOM 802 NH2 ARG A 85 -16.641 -21.842 -8.847 1.00 2.78 N ATOM 0 H ARG A 85 -10.851 -18.875 -7.219 1.00 0.91 H new ATOM 0 HA ARG A 85 -12.540 -16.931 -8.182 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -13.213 -19.236 -7.677 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -12.992 -18.960 -5.961 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -14.813 -17.287 -5.977 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -15.017 -17.506 -7.704 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -15.361 -19.704 -5.626 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -16.676 -18.788 -6.334 1.00 1.51 H new ATOM 0 HE ARG A 85 -14.992 -20.045 -8.358 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -17.646 -20.541 -6.080 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -18.348 -21.870 -7.009 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -15.901 -21.752 -9.543 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -17.364 -22.553 -8.960 1.00 2.78 H new ATOM 816 N ASN A 86 -11.786 -16.452 -5.019 1.00 0.63 N ATOM 817 CA ASN A 86 -11.795 -15.489 -3.923 1.00 0.62 C ATOM 818 C ASN A 86 -10.926 -14.282 -4.261 1.00 0.53 C ATOM 819 O ASN A 86 -11.167 -13.176 -3.776 1.00 0.53 O ATOM 820 CB ASN A 86 -11.259 -16.160 -2.659 1.00 0.78 C ATOM 821 CG ASN A 86 -9.763 -16.370 -2.733 1.00 1.65 C ATOM 822 OD1 ASN A 86 -9.268 -16.672 -3.929 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -9.058 -16.279 -1.730 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.240 -17.292 -4.828 1.00 0.63 H new ATOM 0 HA ASN A 86 -12.818 -15.149 -3.762 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -11.498 -15.546 -1.791 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -11.755 -17.120 -2.517 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -9.478 -16.045 -0.831 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -8.053 -16.438 -1.797 1.00 1.68 H new ATOM 830 N LYS A 87 -9.912 -14.507 -5.095 1.00 0.53 N ATOM 831 CA LYS A 87 -8.995 -13.448 -5.491 1.00 0.56 C ATOM 832 C LYS A 87 -9.744 -12.285 -6.118 1.00 0.45 C ATOM 833 O LYS A 87 -9.393 -11.136 -5.895 1.00 0.40 O ATOM 834 CB LYS A 87 -7.913 -13.994 -6.440 1.00 0.71 C ATOM 835 CG LYS A 87 -7.467 -13.018 -7.522 1.00 1.06 C ATOM 836 CD LYS A 87 -8.201 -13.263 -8.826 1.00 1.59 C ATOM 837 CE LYS A 87 -7.719 -14.540 -9.484 1.00 1.84 C ATOM 838 NZ LYS A 87 -8.623 -14.983 -10.579 1.00 2.28 N ATOM 0 H LYS A 87 -9.707 -15.417 -5.509 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.498 -13.074 -4.596 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -7.044 -14.284 -5.850 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -8.290 -14.898 -6.918 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -7.646 -11.996 -7.188 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -6.394 -13.117 -7.683 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -9.273 -13.328 -8.638 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -8.045 -12.420 -9.500 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -6.716 -14.385 -9.883 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -7.646 -15.328 -8.734 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -8.592 -16.020 -10.657 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -9.596 -14.680 -10.370 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -8.314 -14.559 -11.477 1.00 2.28 H new ATOM 852 N PHE A 88 -10.787 -12.576 -6.884 1.00 0.43 N ATOM 853 CA PHE A 88 -11.561 -11.516 -7.516 1.00 0.38 C ATOM 854 C PHE A 88 -12.091 -10.554 -6.459 1.00 0.31 C ATOM 855 O PHE A 88 -11.965 -9.341 -6.594 1.00 0.29 O ATOM 856 CB PHE A 88 -12.723 -12.096 -8.324 1.00 0.41 C ATOM 857 CG PHE A 88 -12.310 -12.698 -9.636 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.052 -11.891 -10.734 1.00 1.44 C ATOM 859 CD2 PHE A 88 -12.183 -14.071 -9.775 1.00 1.34 C ATOM 860 CE1 PHE A 88 -11.676 -12.442 -11.944 1.00 2.19 C ATOM 861 CE2 PHE A 88 -11.807 -14.627 -10.982 1.00 2.07 C ATOM 862 CZ PHE A 88 -11.553 -13.812 -12.068 1.00 2.49 C ATOM 0 H PHE A 88 -11.113 -13.522 -7.081 1.00 0.43 H new ATOM 0 HA PHE A 88 -10.905 -10.974 -8.198 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.223 -12.858 -7.727 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -13.452 -11.308 -8.510 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.146 -10.819 -10.642 1.00 1.44 H new ATOM 0 HD2 PHE A 88 -12.380 -14.714 -8.930 1.00 1.34 H new ATOM 0 HE1 PHE A 88 -11.479 -11.802 -12.792 1.00 2.19 H new ATOM 0 HE2 PHE A 88 -11.712 -15.699 -11.077 1.00 2.07 H new ATOM 0 HZ PHE A 88 -11.259 -14.245 -13.012 1.00 2.49 H new ATOM 872 N ALA A 89 -12.687 -11.112 -5.412 1.00 0.31 N ATOM 873 CA ALA A 89 -13.232 -10.320 -4.314 1.00 0.29 C ATOM 874 C ALA A 89 -12.218 -9.298 -3.789 1.00 0.26 C ATOM 875 O ALA A 89 -12.419 -8.088 -3.907 1.00 0.27 O ATOM 876 CB ALA A 89 -13.685 -11.245 -3.192 1.00 0.35 C ATOM 0 H ALA A 89 -12.806 -12.119 -5.299 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.087 -9.760 -4.693 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.092 -10.652 -2.373 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.453 -11.922 -3.566 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -12.835 -11.825 -2.833 1.00 0.35 H new ATOM 882 N PHE A 90 -11.131 -9.795 -3.208 1.00 0.24 N ATOM 883 CA PHE A 90 -10.088 -8.938 -2.651 1.00 0.24 C ATOM 884 C PHE A 90 -9.413 -8.075 -3.711 1.00 0.21 C ATOM 885 O PHE A 90 -9.251 -6.872 -3.522 1.00 0.22 O ATOM 886 CB PHE A 90 -9.025 -9.791 -1.958 1.00 0.26 C ATOM 887 CG PHE A 90 -7.929 -8.981 -1.327 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.046 -8.528 -0.024 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.784 -8.670 -2.042 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.039 -7.777 0.554 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.778 -7.921 -1.469 1.00 0.28 C ATOM 892 CZ PHE A 90 -5.903 -7.473 -0.170 1.00 0.23 C ATOM 0 H PHE A 90 -10.948 -10.794 -3.110 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.574 -8.274 -1.936 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.503 -10.402 -1.192 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.588 -10.476 -2.685 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -8.932 -8.763 0.547 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.678 -9.018 -3.059 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.141 -7.428 1.571 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.891 -7.685 -2.038 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.115 -6.887 0.279 1.00 0.23 H new ATOM 902 N ARG A 91 -9.032 -8.689 -4.827 1.00 0.19 N ATOM 903 CA ARG A 91 -8.326 -7.973 -5.888 1.00 0.21 C ATOM 904 C ARG A 91 -9.143 -6.789 -6.397 1.00 0.20 C ATOM 905 O ARG A 91 -8.666 -5.655 -6.396 1.00 0.19 O ATOM 906 CB ARG A 91 -7.973 -8.904 -7.052 1.00 0.25 C ATOM 907 CG ARG A 91 -6.568 -8.677 -7.587 1.00 0.34 C ATOM 908 CD ARG A 91 -6.463 -9.022 -9.062 1.00 1.15 C ATOM 909 NE ARG A 91 -6.283 -10.453 -9.284 1.00 1.75 N ATOM 910 CZ ARG A 91 -5.857 -10.971 -10.432 1.00 2.52 C ATOM 911 NH1 ARG A 91 -5.584 -10.180 -11.462 1.00 2.91 N ATOM 912 NH2 ARG A 91 -5.703 -12.282 -10.553 1.00 3.34 N ATOM 0 H ARG A 91 -9.199 -9.676 -5.021 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.400 -7.595 -5.456 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.069 -9.939 -6.724 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -8.691 -8.757 -7.859 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.286 -7.635 -7.437 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -5.861 -9.284 -7.021 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -7.364 -8.687 -9.576 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -5.625 -8.480 -9.501 1.00 1.15 H new ATOM 0 HE ARG A 91 -6.496 -11.091 -8.517 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -5.701 -9.170 -11.375 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -5.257 -10.582 -12.341 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -5.911 -12.895 -9.765 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -5.376 -12.678 -11.434 1.00 3.34 H new ATOM 926 N GLU A 92 -10.366 -7.056 -6.849 1.00 0.25 N ATOM 927 CA GLU A 92 -11.235 -5.993 -7.344 1.00 0.27 C ATOM 928 C GLU A 92 -11.337 -4.881 -6.306 1.00 0.26 C ATOM 929 O GLU A 92 -11.406 -3.704 -6.653 1.00 0.25 O ATOM 930 CB GLU A 92 -12.628 -6.531 -7.697 1.00 0.32 C ATOM 931 CG GLU A 92 -13.509 -6.817 -6.492 1.00 1.17 C ATOM 932 CD GLU A 92 -14.881 -7.333 -6.883 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.758 -6.505 -7.206 1.00 2.25 O ATOM 934 OE2 GLU A 92 -15.077 -8.567 -6.868 1.00 2.58 O ATOM 0 H GLU A 92 -10.774 -7.990 -6.883 1.00 0.25 H new ATOM 0 HA GLU A 92 -10.797 -5.589 -8.257 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.132 -5.808 -8.339 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.515 -7.447 -8.276 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -13.017 -7.550 -5.853 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.621 -5.906 -5.904 1.00 1.17 H new ATOM 941 N ALA A 93 -11.347 -5.260 -5.027 1.00 0.26 N ATOM 942 CA ALA A 93 -11.404 -4.277 -3.951 1.00 0.26 C ATOM 943 C ALA A 93 -10.173 -3.383 -4.018 1.00 0.23 C ATOM 944 O ALA A 93 -10.247 -2.170 -3.799 1.00 0.22 O ATOM 945 CB ALA A 93 -11.501 -4.965 -2.598 1.00 0.29 C ATOM 0 H ALA A 93 -11.317 -6.231 -4.716 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.296 -3.663 -4.074 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.542 -4.213 -1.810 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.403 -5.576 -2.564 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.627 -5.599 -2.449 1.00 0.29 H new ATOM 951 N ILE A 94 -9.034 -3.998 -4.335 1.00 0.21 N ATOM 952 CA ILE A 94 -7.790 -3.260 -4.468 1.00 0.20 C ATOM 953 C ILE A 94 -7.936 -2.261 -5.595 1.00 0.19 C ATOM 954 O ILE A 94 -7.483 -1.119 -5.508 1.00 0.20 O ATOM 955 CB ILE A 94 -6.600 -4.171 -4.805 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.627 -5.452 -3.984 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.307 -3.425 -4.574 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.550 -6.429 -4.390 1.00 0.24 C ATOM 0 H ILE A 94 -8.952 -5.001 -4.503 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.595 -2.776 -3.511 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.673 -4.453 -5.855 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.508 -5.205 -2.929 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.602 -5.927 -4.092 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.465 -4.074 -4.814 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.278 -2.542 -5.212 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.244 -3.120 -3.529 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.618 -7.323 -3.771 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -5.682 -6.702 -5.437 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.571 -5.968 -4.256 1.00 0.24 H new ATOM 970 N ASN A 95 -8.578 -2.724 -6.659 1.00 0.20 N ATOM 971 CA ASN A 95 -8.826 -1.906 -7.827 1.00 0.21 C ATOM 972 C ASN A 95 -9.633 -0.678 -7.418 1.00 0.21 C ATOM 973 O ASN A 95 -9.355 0.432 -7.866 1.00 0.25 O ATOM 974 CB ASN A 95 -9.569 -2.738 -8.880 1.00 0.23 C ATOM 975 CG ASN A 95 -10.718 -1.989 -9.514 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.766 -1.791 -8.733 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.658 -1.583 -10.675 1.00 0.24 N flip ATOM 0 H ASN A 95 -8.939 -3.675 -6.732 1.00 0.20 H new ATOM 0 HA ASN A 95 -7.885 -1.568 -8.261 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -8.868 -3.043 -9.657 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -9.947 -3.649 -8.416 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -9.825 -1.763 -11.236 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.441 -1.067 -11.076 1.00 0.24 H new ATOM 984 N LYS A 96 -10.636 -0.889 -6.560 1.00 0.20 N ATOM 985 CA LYS A 96 -11.462 0.207 -6.073 1.00 0.20 C ATOM 986 C LYS A 96 -10.573 1.296 -5.501 1.00 0.19 C ATOM 987 O LYS A 96 -10.818 2.485 -5.701 1.00 0.20 O ATOM 988 CB LYS A 96 -12.443 -0.280 -5.004 1.00 0.24 C ATOM 989 CG LYS A 96 -13.827 -0.598 -5.544 1.00 0.34 C ATOM 990 CD LYS A 96 -13.854 -1.937 -6.256 1.00 0.76 C ATOM 991 CE LYS A 96 -15.135 -2.116 -7.056 1.00 0.75 C ATOM 992 NZ LYS A 96 -16.340 -2.146 -6.182 1.00 1.64 N ATOM 0 H LYS A 96 -10.890 -1.806 -6.193 1.00 0.20 H new ATOM 0 HA LYS A 96 -12.039 0.605 -6.908 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -12.035 -1.172 -4.528 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.531 0.482 -4.230 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.545 -0.607 -4.724 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.139 0.187 -6.233 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -12.994 -2.014 -6.922 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.765 -2.741 -5.525 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.229 -1.303 -7.776 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -15.079 -3.042 -7.628 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -17.187 -2.303 -6.764 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -16.248 -2.916 -5.490 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -16.428 -1.239 -5.681 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.538 0.880 -4.777 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.597 1.823 -4.196 1.00 0.22 C ATOM 1008 C LEU A 97 -7.838 2.556 -5.296 1.00 0.21 C ATOM 1009 O LEU A 97 -7.552 3.740 -5.176 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.601 1.114 -3.279 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.511 2.022 -2.704 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -7.053 2.833 -1.545 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.304 1.213 -2.265 1.00 0.62 C ATOM 0 H LEU A 97 -9.333 -0.100 -4.581 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.167 2.540 -3.605 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.148 0.656 -2.454 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.127 0.305 -3.835 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.193 2.706 -3.490 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -6.265 3.473 -1.148 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -7.883 3.450 -1.889 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -7.402 2.160 -0.762 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.545 1.882 -1.861 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.604 0.499 -1.498 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -4.895 0.676 -3.121 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.545 1.847 -6.379 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.807 2.426 -7.497 1.00 0.19 C ATOM 1027 C GLU A 98 -7.486 3.707 -7.976 1.00 0.17 C ATOM 1028 O GLU A 98 -6.904 4.791 -7.928 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.734 1.411 -8.638 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.612 1.663 -9.626 1.00 0.27 C ATOM 1031 CD GLU A 98 -5.815 2.924 -10.440 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -6.572 2.874 -11.432 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -5.218 3.961 -10.085 1.00 0.96 O ATOM 0 H GLU A 98 -7.807 0.870 -6.508 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.798 2.674 -7.168 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.612 0.414 -8.215 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.683 1.416 -9.174 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -4.668 1.734 -9.086 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -5.530 0.811 -10.300 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.727 3.566 -8.428 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.507 4.703 -8.899 1.00 0.17 C ATOM 1042 C ASN A 99 -9.761 5.702 -7.772 1.00 0.21 C ATOM 1043 O ASN A 99 -9.709 6.910 -7.993 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.823 4.224 -9.504 1.00 0.22 C ATOM 1045 CG ASN A 99 -11.354 2.987 -8.817 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -12.141 3.070 -7.875 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.919 1.828 -9.294 1.00 0.62 N ATOM 0 H ASN A 99 -9.215 2.672 -8.478 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.933 5.215 -9.672 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.563 5.021 -9.435 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -10.678 4.014 -10.564 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -11.237 0.953 -8.877 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.266 1.812 -10.078 1.00 0.62 H new ATOM 1054 N ASN A 100 -10.056 5.204 -6.568 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.290 6.079 -5.426 1.00 0.16 C ATOM 1056 C ASN A 100 -9.164 7.101 -5.311 1.00 0.16 C ATOM 1057 O ASN A 100 -9.407 8.291 -5.112 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.397 5.255 -4.140 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.582 5.837 -3.009 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -10.072 6.652 -2.227 1.00 0.26 O ATOM 1061 ND2 ASN A 100 -8.328 5.420 -2.921 1.00 0.21 N ATOM 0 H ASN A 100 -10.137 4.208 -6.364 1.00 0.17 H new ATOM 0 HA ASN A 100 -11.230 6.610 -5.576 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.442 5.195 -3.837 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -10.064 4.236 -4.337 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -7.723 5.776 -2.181 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -7.967 4.743 -3.593 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.932 6.621 -5.442 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.762 7.485 -5.379 1.00 0.25 C ATOM 1070 C LEU A 101 -6.735 8.396 -6.600 1.00 0.23 C ATOM 1071 O LEU A 101 -6.404 9.576 -6.510 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.484 6.643 -5.328 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.495 5.503 -4.309 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -4.603 4.363 -4.770 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -5.061 5.996 -2.942 1.00 0.58 C ATOM 0 H LEU A 101 -7.719 5.635 -5.593 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.816 8.092 -4.476 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.305 6.222 -6.318 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.644 7.300 -5.105 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.517 5.131 -4.229 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.625 3.562 -4.031 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -4.962 3.984 -5.727 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.581 4.724 -4.884 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -5.077 5.167 -2.234 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -4.051 6.400 -3.005 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -5.743 6.776 -2.603 1.00 0.58 H new ATOM 1087 N ARG A 102 -7.103 7.823 -7.744 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.137 8.556 -9.007 1.00 0.23 C ATOM 1089 C ARG A 102 -7.994 9.815 -8.895 1.00 0.24 C ATOM 1090 O ARG A 102 -7.571 10.897 -9.300 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.677 7.656 -10.122 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.704 6.574 -10.558 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.200 5.844 -11.795 1.00 0.38 C ATOM 1094 NE ARG A 102 -7.320 6.735 -12.945 1.00 0.97 N ATOM 1095 CZ ARG A 102 -7.400 6.313 -14.204 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -7.373 5.014 -14.476 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -7.509 7.189 -15.193 1.00 2.09 N ATOM 0 H ARG A 102 -7.384 6.846 -7.822 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.118 8.859 -9.247 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.600 7.187 -9.783 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.931 8.273 -10.984 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.731 7.020 -10.763 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.563 5.861 -9.746 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -6.514 5.032 -12.036 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -8.169 5.391 -11.585 1.00 0.38 H new ATOM 0 HE ARG A 102 -7.344 7.740 -12.773 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -7.291 4.336 -13.718 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -7.435 4.694 -15.443 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -7.532 8.188 -14.989 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -7.570 6.864 -16.158 1.00 2.09 H new ATOM 1111 N GLU A 103 -9.197 9.674 -8.349 1.00 0.24 N ATOM 1112 CA GLU A 103 -10.092 10.812 -8.181 1.00 0.24 C ATOM 1113 C GLU A 103 -9.648 11.660 -6.994 1.00 0.24 C ATOM 1114 O GLU A 103 -9.987 12.839 -6.893 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.532 10.333 -7.977 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.546 11.462 -7.889 1.00 0.34 C ATOM 1117 CD GLU A 103 -12.590 12.308 -9.148 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -13.379 11.977 -10.058 1.00 2.32 O ATOM 1119 OE2 GLU A 103 -11.835 13.300 -9.224 1.00 1.82 O ATOM 0 H GLU A 103 -9.573 8.786 -8.016 1.00 0.24 H new ATOM 0 HA GLU A 103 -10.052 11.421 -9.084 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.806 9.674 -8.801 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.582 9.740 -7.064 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -13.535 11.043 -7.703 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.303 12.097 -7.037 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.884 11.042 -6.100 1.00 0.24 N ATOM 1127 CA LEU A 104 -8.382 11.717 -4.913 1.00 0.25 C ATOM 1128 C LEU A 104 -7.194 12.614 -5.257 1.00 0.29 C ATOM 1129 O LEU A 104 -6.767 13.435 -4.445 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.974 10.672 -3.874 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.449 11.219 -2.557 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.593 11.745 -1.723 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.692 10.137 -1.811 1.00 0.24 C ATOM 0 H LEU A 104 -8.598 10.066 -6.178 1.00 0.24 H new ATOM 0 HA LEU A 104 -9.171 12.349 -4.505 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.836 10.039 -3.665 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -7.208 10.032 -4.311 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.763 12.042 -2.758 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -8.207 12.135 -0.781 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -9.102 12.542 -2.265 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -9.297 10.938 -1.520 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -6.319 10.538 -0.868 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -7.359 9.299 -1.610 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.853 9.796 -2.417 1.00 0.24 H new ATOM 1145 N GLN A 105 -6.669 12.450 -6.471 1.00 0.40 N ATOM 1146 CA GLN A 105 -5.531 13.245 -6.932 1.00 0.51 C ATOM 1147 C GLN A 105 -5.838 14.734 -6.864 1.00 0.45 C ATOM 1148 O GLN A 105 -6.917 15.138 -6.429 1.00 1.00 O ATOM 1149 CB GLN A 105 -5.152 12.870 -8.367 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.678 12.538 -8.542 1.00 0.44 C ATOM 1151 CD GLN A 105 -3.357 11.117 -8.143 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -4.103 10.599 -7.183 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -2.447 10.493 -8.691 1.00 1.38 N flip ATOM 0 H GLN A 105 -7.013 11.774 -7.153 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.692 13.027 -6.271 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -5.748 12.012 -8.679 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -5.411 13.696 -9.030 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.394 12.693 -9.583 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -3.080 13.225 -7.943 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -1.897 10.935 -9.428 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -2.243 9.535 -8.408 1.00 1.38 H new ATOM 1342 N PHE A 121 -12.311 12.447 2.925 1.00 0.45 N ATOM 1343 CA PHE A 121 -12.086 11.171 2.263 1.00 0.36 C ATOM 1344 C PHE A 121 -12.461 9.993 3.157 1.00 0.31 C ATOM 1345 O PHE A 121 -11.735 9.000 3.218 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.620 11.039 1.835 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.956 12.329 1.417 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.666 13.350 0.791 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.602 12.513 1.648 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -10.034 14.518 0.410 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.968 13.678 1.267 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.683 14.681 0.648 1.00 0.31 C ATOM 0 HA PHE A 121 -12.728 11.149 1.383 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -10.054 10.608 2.661 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.562 10.333 1.006 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.722 13.228 0.601 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -8.034 11.733 2.134 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.596 15.303 -0.074 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.912 13.804 1.454 1.00 0.26 H new ATOM 0 HZ PHE A 121 -8.188 15.593 0.349 1.00 0.31 H new ATOM 1362 N SER A 122 -13.591 10.096 3.851 1.00 0.32 N ATOM 1363 CA SER A 122 -14.036 9.014 4.717 1.00 0.34 C ATOM 1364 C SER A 122 -14.398 7.791 3.887 1.00 0.29 C ATOM 1365 O SER A 122 -14.536 6.689 4.418 1.00 0.32 O ATOM 1366 CB SER A 122 -15.232 9.440 5.566 1.00 0.42 C ATOM 1367 OG SER A 122 -14.902 10.535 6.403 1.00 1.26 O ATOM 0 H SER A 122 -14.207 10.908 3.830 1.00 0.32 H new ATOM 0 HA SER A 122 -13.215 8.763 5.388 1.00 0.34 H new ATOM 0 HB2 SER A 122 -16.064 9.713 4.916 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.566 8.600 6.176 1.00 0.42 H new ATOM 0 HG SER A 122 -15.686 10.789 6.934 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.560 7.991 2.580 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.880 6.891 1.688 1.00 0.29 C ATOM 1375 C LYS A 123 -13.654 6.016 1.519 1.00 0.24 C ATOM 1376 O LYS A 123 -13.749 4.790 1.485 1.00 0.27 O ATOM 1377 CB LYS A 123 -15.360 7.412 0.334 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.689 8.144 0.408 1.00 0.42 C ATOM 1379 CD LYS A 123 -16.514 9.621 0.724 1.00 0.91 C ATOM 1380 CE LYS A 123 -15.864 10.357 -0.432 1.00 1.81 C ATOM 1381 NZ LYS A 123 -16.767 10.449 -1.612 1.00 2.58 N ATOM 0 H LYS A 123 -14.475 8.899 2.123 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.688 6.302 2.121 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.606 8.083 -0.077 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -15.452 6.575 -0.358 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -17.214 8.037 -0.541 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -17.314 7.682 1.172 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -17.485 10.066 0.942 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -15.903 9.734 1.620 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -15.583 11.360 -0.111 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -14.945 9.845 -0.717 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -16.392 11.150 -2.283 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -16.826 9.521 -2.077 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -17.716 10.741 -1.301 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.500 6.663 1.411 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.238 5.965 1.296 1.00 0.20 C ATOM 1397 C LEU A 124 -10.974 5.206 2.591 1.00 0.16 C ATOM 1398 O LEU A 124 -10.135 4.308 2.650 1.00 0.16 O ATOM 1399 CB LEU A 124 -10.122 6.980 1.021 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.721 6.408 0.791 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.796 5.055 0.118 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.902 7.362 -0.056 1.00 0.25 C ATOM 0 H LEU A 124 -12.419 7.680 1.401 1.00 0.22 H new ATOM 0 HA LEU A 124 -11.270 5.254 0.471 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.400 7.564 0.144 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -10.075 7.671 1.862 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.238 6.284 1.761 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.788 4.668 -0.035 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.357 4.366 0.749 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -9.297 5.155 -0.845 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.907 6.946 -0.214 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.392 7.506 -1.019 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.817 8.321 0.455 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.716 5.581 3.627 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.597 4.950 4.932 1.00 0.22 C ATOM 1416 C LEU A 125 -12.358 3.629 4.948 1.00 0.24 C ATOM 1417 O LEU A 125 -11.834 2.601 5.381 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.138 5.890 6.018 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.302 5.971 7.299 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -11.012 4.582 7.850 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -10.008 6.725 7.035 1.00 1.30 C ATOM 0 H LEU A 125 -12.412 6.326 3.585 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.545 4.747 5.134 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.223 6.892 5.597 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.145 5.569 6.283 1.00 0.28 H new ATOM 0 HG LEU A 125 -11.876 6.515 8.049 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -10.417 4.668 8.759 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -11.951 4.077 8.077 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.460 4.004 7.109 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -9.423 6.776 7.953 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -9.434 6.206 6.267 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -10.238 7.735 6.695 1.00 1.30 H new ATOM 1433 N SER A 126 -13.599 3.663 4.468 1.00 0.28 N ATOM 1434 CA SER A 126 -14.430 2.465 4.419 1.00 0.34 C ATOM 1435 C SER A 126 -13.960 1.526 3.311 1.00 0.28 C ATOM 1436 O SER A 126 -14.114 0.309 3.405 1.00 0.29 O ATOM 1437 CB SER A 126 -15.896 2.843 4.196 1.00 0.44 C ATOM 1438 OG SER A 126 -16.061 3.548 2.977 1.00 1.40 O ATOM 0 H SER A 126 -14.049 4.505 4.109 1.00 0.28 H new ATOM 0 HA SER A 126 -14.338 1.948 5.374 1.00 0.34 H new ATOM 0 HB2 SER A 126 -16.510 1.942 4.185 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.247 3.457 5.025 1.00 0.44 H new ATOM 0 HG SER A 126 -15.182 3.800 2.623 1.00 1.40 H new ATOM 1444 N SER A 127 -13.386 2.107 2.263 1.00 0.25 N ATOM 1445 CA SER A 127 -12.892 1.336 1.127 1.00 0.25 C ATOM 1446 C SER A 127 -11.672 0.519 1.522 1.00 0.21 C ATOM 1447 O SER A 127 -11.593 -0.682 1.257 1.00 0.23 O ATOM 1448 CB SER A 127 -12.528 2.270 -0.030 1.00 0.31 C ATOM 1449 OG SER A 127 -12.201 1.534 -1.195 1.00 1.09 O ATOM 0 H SER A 127 -13.251 3.114 2.176 1.00 0.25 H new ATOM 0 HA SER A 127 -13.683 0.658 0.808 1.00 0.25 H new ATOM 0 HB2 SER A 127 -13.364 2.937 -0.240 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.684 2.897 0.257 1.00 0.31 H new ATOM 0 HG SER A 127 -11.974 2.153 -1.920 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.725 1.187 2.164 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.495 0.551 2.597 1.00 0.30 C ATOM 1457 C VAL A 128 -9.786 -0.578 3.591 1.00 0.29 C ATOM 1458 O VAL A 128 -9.201 -1.668 3.512 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.544 1.602 3.215 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -8.676 1.661 4.728 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -7.111 1.334 2.798 1.00 0.48 C ATOM 0 H VAL A 128 -10.789 2.178 2.397 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.006 0.110 1.729 1.00 0.30 H new ATOM 0 HB VAL A 128 -8.835 2.580 2.831 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.991 2.411 5.124 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -9.699 1.927 4.994 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -8.432 0.687 5.153 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -6.456 2.084 3.242 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -6.812 0.343 3.139 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -7.033 1.382 1.712 1.00 0.48 H new ATOM 1471 N LYS A 129 -10.710 -0.317 4.512 1.00 0.28 N ATOM 1472 CA LYS A 129 -11.093 -1.303 5.509 1.00 0.32 C ATOM 1473 C LYS A 129 -11.741 -2.506 4.843 1.00 0.27 C ATOM 1474 O LYS A 129 -11.594 -3.640 5.300 1.00 0.27 O ATOM 1475 CB LYS A 129 -12.042 -0.690 6.524 1.00 0.38 C ATOM 1476 CG LYS A 129 -11.326 0.085 7.616 1.00 0.50 C ATOM 1477 CD LYS A 129 -12.316 0.723 8.566 1.00 1.12 C ATOM 1478 CE LYS A 129 -12.910 -0.296 9.527 1.00 1.77 C ATOM 1479 NZ LYS A 129 -11.870 -0.924 10.387 1.00 2.69 N ATOM 0 H LYS A 129 -11.206 0.571 4.586 1.00 0.28 H new ATOM 0 HA LYS A 129 -10.194 -1.635 6.029 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -12.735 -0.025 6.009 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -12.638 -1.481 6.979 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -10.666 -0.584 8.168 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -10.698 0.855 7.168 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -11.821 1.512 9.132 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -13.116 1.195 7.995 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -13.655 0.191 10.156 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -13.428 -1.070 8.960 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -12.315 -1.308 11.245 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -11.405 -1.693 9.864 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -11.162 -0.210 10.654 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.464 -2.246 3.758 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.135 -3.301 3.011 1.00 0.21 C ATOM 1495 C GLU A 130 -12.128 -4.323 2.497 1.00 0.17 C ATOM 1496 O GLU A 130 -12.337 -5.528 2.627 1.00 0.16 O ATOM 1497 CB GLU A 130 -13.924 -2.708 1.842 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.749 -3.731 1.081 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.800 -4.395 1.949 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -15.486 -5.430 2.573 1.00 2.10 O ATOM 1501 OE2 GLU A 130 -16.936 -3.880 2.005 1.00 1.71 O ATOM 0 H GLU A 130 -12.600 -1.310 3.377 1.00 0.23 H new ATOM 0 HA GLU A 130 -13.828 -3.806 3.684 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.586 -1.929 2.220 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.229 -2.229 1.152 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -15.236 -3.244 0.236 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -14.087 -4.494 0.671 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.032 -3.835 1.912 1.00 0.18 N ATOM 1509 CA ILE A 131 -9.999 -4.725 1.384 1.00 0.16 C ATOM 1510 C ILE A 131 -9.475 -5.644 2.482 1.00 0.17 C ATOM 1511 O ILE A 131 -9.496 -6.872 2.346 1.00 0.16 O ATOM 1512 CB ILE A 131 -8.801 -3.954 0.789 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.203 -2.547 0.346 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.216 -4.726 -0.383 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.025 -1.603 0.241 1.00 0.27 C ATOM 0 H ILE A 131 -10.839 -2.840 1.793 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.471 -5.302 0.589 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.046 -3.854 1.569 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.703 -2.605 -0.621 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -9.925 -2.141 1.054 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.371 -4.175 -0.797 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -7.879 -5.705 -0.042 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -8.978 -4.853 -1.152 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.373 -0.620 -0.077 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.539 -1.518 1.213 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.313 -1.989 -0.488 1.00 0.27 H new ATOM 1527 N SER A 132 -9.005 -5.039 3.573 1.00 0.20 N ATOM 1528 CA SER A 132 -8.498 -5.804 4.706 1.00 0.23 C ATOM 1529 C SER A 132 -9.534 -6.824 5.180 1.00 0.23 C ATOM 1530 O SER A 132 -9.204 -7.971 5.488 1.00 0.26 O ATOM 1531 CB SER A 132 -8.134 -4.858 5.852 1.00 0.27 C ATOM 1532 OG SER A 132 -8.290 -5.492 7.108 1.00 1.02 O ATOM 0 H SER A 132 -8.966 -4.027 3.694 1.00 0.20 H new ATOM 0 HA SER A 132 -7.606 -6.343 4.387 1.00 0.23 H new ATOM 0 HB2 SER A 132 -7.103 -4.522 5.737 1.00 0.27 H new ATOM 0 HB3 SER A 132 -8.765 -3.970 5.809 1.00 0.27 H new ATOM 0 HG SER A 132 -8.029 -6.434 7.034 1.00 1.02 H new ATOM 1538 N ASP A 133 -10.788 -6.393 5.244 1.00 0.23 N ATOM 1539 CA ASP A 133 -11.877 -7.260 5.675 1.00 0.26 C ATOM 1540 C ASP A 133 -12.008 -8.500 4.791 1.00 0.25 C ATOM 1541 O ASP A 133 -12.295 -9.590 5.287 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.196 -6.485 5.677 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.365 -7.332 6.140 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -14.996 -7.990 5.286 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -14.649 -7.338 7.356 1.00 0.37 O ATOM 0 H ASP A 133 -11.076 -5.445 5.002 1.00 0.23 H new ATOM 0 HA ASP A 133 -11.645 -7.596 6.686 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.102 -5.615 6.327 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.397 -6.112 4.672 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.797 -8.341 3.485 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.923 -9.467 2.562 1.00 0.16 C ATOM 1552 C ILE A 134 -10.882 -10.548 2.832 1.00 0.16 C ATOM 1553 O ILE A 134 -11.233 -11.710 3.022 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.803 -9.024 1.087 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -12.938 -8.063 0.726 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.814 -10.238 0.160 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.877 -7.551 -0.699 1.00 0.18 C ATOM 0 H ILE A 134 -11.541 -7.456 3.047 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.918 -9.877 2.734 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.854 -8.503 0.958 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.892 -8.568 0.880 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -12.913 -7.214 1.409 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.729 -9.906 -0.875 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -10.974 -10.889 0.403 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.747 -10.786 0.289 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.714 -6.876 -0.879 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -11.940 -7.016 -0.854 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.934 -8.392 -1.390 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.609 -10.160 2.874 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.524 -11.122 3.093 1.00 0.17 C ATOM 1571 C VAL A 135 -8.700 -11.931 4.379 1.00 0.19 C ATOM 1572 O VAL A 135 -8.434 -13.134 4.400 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.136 -10.435 3.115 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.218 -9.038 3.705 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.142 -11.269 3.905 1.00 0.23 C ATOM 0 H VAL A 135 -9.302 -9.194 2.760 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.573 -11.807 2.246 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.795 -10.351 2.083 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.227 -8.584 3.705 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -7.895 -8.429 3.106 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.591 -9.096 4.728 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.172 -10.771 3.910 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.496 -11.384 4.929 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -6.043 -12.251 3.443 1.00 0.23 H new ATOM 1585 N GLN A 136 -9.134 -11.280 5.448 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.308 -11.965 6.727 1.00 0.29 C ATOM 1587 C GLN A 136 -10.220 -13.184 6.602 1.00 0.42 C ATOM 1588 O GLN A 136 -9.835 -14.291 6.981 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.837 -10.990 7.770 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.838 -9.894 8.081 1.00 0.37 C ATOM 1591 CD GLN A 136 -9.454 -8.716 8.798 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -8.898 -7.539 8.556 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -10.415 -8.861 9.553 1.00 0.54 N flip ATOM 0 H GLN A 136 -9.371 -10.288 5.460 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.333 -12.332 7.048 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.765 -10.544 7.412 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -10.077 -11.532 8.685 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -8.036 -10.305 8.693 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.385 -9.549 7.151 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -10.807 -9.790 9.706 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -10.819 -8.052 10.025 1.00 0.54 H new