USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 21 THR OG1 : rot 180:sc=0.000948 USER MOD Set 1.2: A 49 MET CE :methyl -135:sc= 0 (180deg=-1.32) USER MOD Set 2.1: A 20 GLN : amide:sc= -1.89! K(o=-2.9!,f=-1.1) USER MOD Set 2.2: A 22 CYS SG : rot 70:sc= -0.993 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.16! K(o=-2.2!,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -125:sc= 0.0739 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 29 MET CE :methyl -159:sc= -0.021 (180deg=-0.671) USER MOD Single : A 38 SER OG : rot 43:sc= -1.94 USER MOD Single : A 39 SER OG : rot -55:sc= 1.26 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.3) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.36! (180deg=-2.54!) USER MOD Single : A 67 SER OG : rot -90:sc= 0.399 USER MOD Single : A 70 GLN : amide:sc= -0.968 K(o=-0.97,f=-0.33) USER MOD Single : A 75 THR OG1 : rot 71:sc= 0.68 USER MOD Single : A 77 SER OG : rot -89:sc= 1.34 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-0.24) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 106:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -11.693 -9.392 -8.496 1.00 23.20 N ATOM 2 CA GLY A -3 -11.490 -8.330 -9.465 1.00 43.12 C ATOM 3 C GLY A -3 -11.688 -8.801 -10.904 1.00 10.33 C ATOM 4 O GLY A -3 -12.351 -9.820 -11.121 1.00 34.23 O ATOM 0 H1 GLY A -3 -12.409 -9.096 -7.802 1.00 23.20 H new ATOM 0 H2 GLY A -3 -12.018 -10.250 -8.985 1.00 23.20 H new ATOM 0 H3 GLY A -3 -10.797 -9.591 -8.006 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -12.182 -7.515 -9.255 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -10.483 -7.929 -9.353 1.00 43.12 H new ATOM 8 N PRO A -2 -11.127 -8.080 -11.925 1.00 43.42 N ATOM 9 CA PRO A -2 -11.263 -8.457 -13.346 1.00 72.12 C ATOM 10 C PRO A -2 -10.387 -9.656 -13.735 1.00 24.33 C ATOM 11 O PRO A -2 -10.812 -10.508 -14.521 1.00 1.42 O ATOM 12 CB PRO A -2 -10.812 -7.196 -14.112 1.00 65.32 C ATOM 13 CG PRO A -2 -10.640 -6.129 -13.079 1.00 23.11 C ATOM 14 CD PRO A -2 -10.338 -6.839 -11.794 1.00 3.14 C ATOM 0 HA PRO A -2 -12.283 -8.768 -13.573 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -9.879 -7.376 -14.646 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -11.554 -6.904 -14.855 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -9.830 -5.452 -13.350 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -11.543 -5.526 -12.988 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -9.273 -7.044 -11.684 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -10.642 -6.254 -10.926 1.00 3.14 H new ATOM 22 N SER A -1 -9.168 -9.708 -13.179 1.00 54.30 N ATOM 23 CA SER A -1 -8.227 -10.795 -13.458 1.00 74.21 C ATOM 24 C SER A -1 -7.641 -11.359 -12.160 1.00 44.31 C ATOM 25 O SER A -1 -7.608 -12.578 -11.970 1.00 24.24 O ATOM 26 CB SER A -1 -7.104 -10.304 -14.383 1.00 35.31 C ATOM 27 OG SER A -1 -6.308 -11.383 -14.844 1.00 34.24 O ATOM 0 H SER A -1 -8.812 -9.005 -12.531 1.00 54.30 H new ATOM 0 HA SER A -1 -8.771 -11.595 -13.960 1.00 74.21 H new ATOM 0 HB2 SER A -1 -7.535 -9.778 -15.234 1.00 35.31 H new ATOM 0 HB3 SER A -1 -6.478 -9.589 -13.850 1.00 35.31 H new ATOM 0 HG SER A -1 -5.602 -11.041 -15.432 1.00 34.24 H new ATOM 33 N MET A 0 -7.183 -10.462 -11.274 1.00 71.24 N ATOM 34 CA MET A 0 -6.597 -10.857 -9.987 1.00 20.33 C ATOM 35 C MET A 0 -7.120 -9.976 -8.852 1.00 73.21 C ATOM 36 O MET A 0 -7.495 -10.483 -7.791 1.00 22.03 O ATOM 37 CB MET A 0 -5.061 -10.782 -10.039 1.00 31.50 C ATOM 38 CG MET A 0 -4.417 -11.843 -10.921 1.00 40.30 C ATOM 39 SD MET A 0 -4.721 -13.521 -10.332 1.00 23.03 S ATOM 40 CE MET A 0 -3.843 -14.477 -11.566 1.00 60.20 C ATOM 0 H MET A 0 -7.208 -9.454 -11.428 1.00 71.24 H new ATOM 0 HA MET A 0 -6.893 -11.888 -9.793 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.768 -9.797 -10.401 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.669 -10.879 -9.027 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.799 -11.745 -11.937 1.00 40.30 H new ATOM 0 HG3 MET A 0 -3.342 -11.668 -10.966 1.00 40.30 H new ATOM 0 HE1 MET A 0 -3.938 -15.539 -11.339 1.00 60.20 H new ATOM 0 HE2 MET A 0 -4.267 -14.277 -12.550 1.00 60.20 H new ATOM 0 HE3 MET A 0 -2.789 -14.198 -11.561 1.00 60.20 H new ATOM 50 N GLY A 1 -7.140 -8.657 -9.088 1.00 60.01 N ATOM 51 CA GLY A 1 -7.611 -7.711 -8.088 1.00 13.55 C ATOM 52 C GLY A 1 -6.537 -6.721 -7.678 1.00 3.14 C ATOM 53 O GLY A 1 -6.809 -5.525 -7.545 1.00 44.31 O ATOM 0 H GLY A 1 -6.835 -8.230 -9.962 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.471 -7.168 -8.481 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -7.954 -8.256 -7.209 1.00 13.55 H new ATOM 57 N VAL A 2 -5.314 -7.225 -7.485 1.00 52.34 N ATOM 58 CA VAL A 2 -4.182 -6.390 -7.085 1.00 33.20 C ATOM 59 C VAL A 2 -2.983 -6.608 -8.030 1.00 63.10 C ATOM 60 O VAL A 2 -2.472 -7.726 -8.153 1.00 55.34 O ATOM 61 CB VAL A 2 -3.807 -6.628 -5.578 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.364 -8.066 -5.291 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.753 -5.634 -5.096 1.00 64.22 C ATOM 0 H VAL A 2 -5.084 -8.212 -7.601 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.475 -5.344 -7.173 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.724 -6.459 -5.013 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.119 -8.167 -4.234 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.172 -8.753 -5.543 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.486 -8.303 -5.892 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.520 -5.830 -4.050 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.849 -5.742 -5.696 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.137 -4.619 -5.198 1.00 64.22 H new ATOM 73 N GLN A 3 -2.561 -5.525 -8.694 1.00 54.51 N ATOM 74 CA GLN A 3 -1.434 -5.572 -9.630 1.00 12.04 C ATOM 75 C GLN A 3 -0.303 -4.657 -9.165 1.00 65.23 C ATOM 76 O GLN A 3 -0.477 -3.438 -9.067 1.00 65.11 O ATOM 77 CB GLN A 3 -1.878 -5.172 -11.046 1.00 73.14 C ATOM 78 CG GLN A 3 -2.872 -6.135 -11.687 1.00 31.23 C ATOM 79 CD GLN A 3 -4.308 -5.674 -11.532 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.849 -4.991 -12.402 1.00 52.13 O ATOM 81 NE2 GLN A 3 -4.931 -6.035 -10.417 1.00 15.44 N ATOM 0 H GLN A 3 -2.986 -4.603 -8.599 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.069 -6.599 -9.655 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.326 -4.179 -11.007 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.997 -5.100 -11.684 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.640 -6.240 -12.747 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.760 -7.121 -11.237 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.445 -6.602 -9.722 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.896 -5.746 -10.255 1.00 15.44 H new ATOM 90 N VAL A 4 0.854 -5.258 -8.881 1.00 15.11 N ATOM 91 CA VAL A 4 2.025 -4.515 -8.419 1.00 21.25 C ATOM 92 C VAL A 4 3.106 -4.459 -9.512 1.00 0.04 C ATOM 93 O VAL A 4 3.419 -5.473 -10.143 1.00 62.43 O ATOM 94 CB VAL A 4 2.573 -5.111 -7.078 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.089 -6.537 -7.243 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.646 -4.221 -6.461 1.00 13.43 C ATOM 0 H VAL A 4 1.004 -6.263 -8.964 1.00 15.11 H new ATOM 0 HA VAL A 4 1.722 -3.488 -8.214 1.00 21.25 H new ATOM 0 HB VAL A 4 1.726 -5.147 -6.393 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.458 -6.904 -6.285 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.279 -7.179 -7.590 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.899 -6.549 -7.972 1.00 50.31 H new ATOM 0 HG21 VAL A 4 4.001 -4.669 -5.533 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.479 -4.120 -7.157 1.00 13.43 H new ATOM 0 HG23 VAL A 4 3.227 -3.237 -6.252 1.00 13.43 H new ATOM 106 N GLU A 5 3.659 -3.259 -9.713 1.00 43.11 N ATOM 107 CA GLU A 5 4.701 -3.031 -10.723 1.00 1.02 C ATOM 108 C GLU A 5 5.962 -2.487 -10.065 1.00 74.44 C ATOM 109 O GLU A 5 5.920 -1.453 -9.393 1.00 42.12 O ATOM 110 CB GLU A 5 4.231 -2.041 -11.812 1.00 22.54 C ATOM 111 CG GLU A 5 2.722 -1.962 -12.001 1.00 62.44 C ATOM 112 CD GLU A 5 2.323 -1.052 -13.146 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.130 0.158 -12.904 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.204 -1.550 -14.286 1.00 20.43 O ATOM 0 H GLU A 5 3.401 -2.424 -9.186 1.00 43.11 H new ATOM 0 HA GLU A 5 4.912 -3.990 -11.195 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.604 -1.047 -11.564 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.687 -2.324 -12.761 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.330 -2.962 -12.184 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.263 -1.603 -11.080 1.00 62.44 H new ATOM 121 N THR A 6 7.087 -3.182 -10.278 1.00 42.11 N ATOM 122 CA THR A 6 8.378 -2.780 -9.707 1.00 74.15 C ATOM 123 C THR A 6 8.986 -1.618 -10.497 1.00 12.12 C ATOM 124 O THR A 6 9.139 -1.693 -11.720 1.00 51.21 O ATOM 125 CB THR A 6 9.371 -3.972 -9.666 1.00 0.24 C ATOM 126 OG1 THR A 6 8.705 -5.145 -9.181 1.00 2.23 O ATOM 127 CG2 THR A 6 10.580 -3.682 -8.772 1.00 50.35 C ATOM 0 H THR A 6 7.128 -4.029 -10.844 1.00 42.11 H new ATOM 0 HA THR A 6 8.195 -2.451 -8.684 1.00 74.15 H new ATOM 0 HB THR A 6 9.729 -4.130 -10.683 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.336 -5.894 -9.159 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.248 -4.543 -8.773 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.112 -2.809 -9.151 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.242 -3.487 -7.754 1.00 50.35 H new ATOM 135 N ILE A 7 9.325 -0.556 -9.768 1.00 11.44 N ATOM 136 CA ILE A 7 9.910 0.648 -10.359 1.00 72.43 C ATOM 137 C ILE A 7 11.381 0.780 -9.956 1.00 45.55 C ATOM 138 O ILE A 7 12.217 1.191 -10.766 1.00 31.04 O ATOM 139 CB ILE A 7 9.135 1.937 -9.948 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.628 1.634 -9.815 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.376 3.053 -10.973 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.837 2.648 -9.003 1.00 14.43 C ATOM 0 H ILE A 7 9.203 -0.505 -8.757 1.00 11.44 H new ATOM 0 HA ILE A 7 9.836 0.543 -11.441 1.00 72.43 H new ATOM 0 HB ILE A 7 9.504 2.276 -8.980 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.195 1.574 -10.814 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.509 0.652 -9.357 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.829 3.947 -10.673 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.441 3.279 -11.021 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.029 2.727 -11.954 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.790 2.348 -8.967 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.236 2.694 -7.990 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.917 3.630 -9.469 1.00 14.43 H new ATOM 154 N SER A 8 11.679 0.428 -8.700 1.00 5.12 N ATOM 155 CA SER A 8 13.038 0.499 -8.173 1.00 32.42 C ATOM 156 C SER A 8 13.396 -0.793 -7.431 1.00 21.20 C ATOM 157 O SER A 8 12.742 -1.135 -6.442 1.00 31.34 O ATOM 158 CB SER A 8 13.185 1.698 -7.234 1.00 74.32 C ATOM 159 OG SER A 8 14.548 1.982 -6.970 1.00 64.33 O ATOM 0 H SER A 8 10.989 0.090 -8.029 1.00 5.12 H new ATOM 0 HA SER A 8 13.723 0.622 -9.012 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.709 2.572 -7.679 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.666 1.495 -6.297 1.00 74.32 H new ATOM 0 HG SER A 8 14.611 2.754 -6.369 1.00 64.33 H new ATOM 165 N PRO A 9 14.440 -1.540 -7.898 1.00 51.01 N ATOM 166 CA PRO A 9 14.865 -2.799 -7.257 1.00 23.32 C ATOM 167 C PRO A 9 15.566 -2.583 -5.908 1.00 51.21 C ATOM 168 O PRO A 9 16.492 -1.772 -5.803 1.00 32.12 O ATOM 169 CB PRO A 9 15.825 -3.408 -8.285 1.00 21.35 C ATOM 170 CG PRO A 9 16.368 -2.247 -9.043 1.00 44.13 C ATOM 171 CD PRO A 9 15.268 -1.230 -9.094 1.00 61.42 C ATOM 0 HA PRO A 9 14.015 -3.437 -7.015 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.623 -3.968 -7.797 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.306 -4.103 -8.946 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.252 -1.840 -8.552 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.670 -2.545 -10.047 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.661 -0.214 -9.056 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.689 -1.313 -10.014 1.00 61.42 H new ATOM 179 N GLY A 10 15.106 -3.317 -4.888 1.00 11.52 N ATOM 180 CA GLY A 10 15.679 -3.211 -3.555 1.00 4.35 C ATOM 181 C GLY A 10 16.690 -4.307 -3.276 1.00 44.33 C ATOM 182 O GLY A 10 17.680 -4.434 -4.003 1.00 23.33 O ATOM 0 H GLY A 10 14.341 -3.987 -4.967 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.160 -2.239 -3.445 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.881 -3.258 -2.814 1.00 4.35 H new ATOM 186 N ASP A 11 16.442 -5.099 -2.222 1.00 12.02 N ATOM 187 CA ASP A 11 17.333 -6.207 -1.853 1.00 21.40 C ATOM 188 C ASP A 11 17.033 -7.456 -2.691 1.00 61.45 C ATOM 189 O ASP A 11 17.953 -8.096 -3.210 1.00 53.40 O ATOM 190 CB ASP A 11 17.203 -6.526 -0.360 1.00 15.33 C ATOM 191 CG ASP A 11 17.921 -5.515 0.515 1.00 54.04 C ATOM 192 OD1 ASP A 11 19.165 -5.441 0.437 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.239 -4.802 1.281 1.00 3.25 O ATOM 0 H ASP A 11 15.632 -4.992 -1.611 1.00 12.02 H new ATOM 0 HA ASP A 11 18.358 -5.897 -2.057 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.148 -6.553 -0.088 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.607 -7.520 -0.168 1.00 15.33 H new ATOM 198 N GLY A 12 15.739 -7.787 -2.812 1.00 11.03 N ATOM 199 CA GLY A 12 15.309 -8.945 -3.597 1.00 21.20 C ATOM 200 C GLY A 12 15.355 -10.260 -2.829 1.00 63.51 C ATOM 201 O GLY A 12 14.986 -11.307 -3.371 1.00 45.41 O ATOM 0 H GLY A 12 14.977 -7.268 -2.376 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.291 -8.776 -3.949 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.942 -9.029 -4.480 1.00 21.20 H new ATOM 205 N ARG A 13 15.806 -10.202 -1.572 1.00 44.41 N ATOM 206 CA ARG A 13 15.912 -11.391 -0.716 1.00 43.15 C ATOM 207 C ARG A 13 15.375 -11.123 0.700 1.00 71.41 C ATOM 208 O ARG A 13 15.363 -12.024 1.546 1.00 75.24 O ATOM 209 CB ARG A 13 17.376 -11.895 -0.660 1.00 13.14 C ATOM 210 CG ARG A 13 18.416 -10.830 -0.304 1.00 22.33 C ATOM 211 CD ARG A 13 19.832 -11.365 -0.445 1.00 60.10 C ATOM 212 NE ARG A 13 20.839 -10.352 -0.108 1.00 42.52 N ATOM 213 CZ ARG A 13 22.164 -10.523 -0.228 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.673 -11.668 -0.678 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.984 -9.536 0.108 1.00 61.14 N ATOM 0 H ARG A 13 16.106 -9.338 -1.121 1.00 44.41 H new ATOM 0 HA ARG A 13 15.292 -12.171 -1.159 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.439 -12.701 0.071 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.634 -12.323 -1.629 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.287 -9.963 -0.952 1.00 22.33 H new ATOM 0 HG3 ARG A 13 18.255 -10.490 0.719 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.958 -12.232 0.204 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.990 -11.707 -1.468 1.00 60.10 H new ATOM 0 HE ARG A 13 20.508 -9.453 0.243 1.00 42.52 H new ATOM 0 HH11 ARG A 13 22.052 -12.434 -0.939 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.683 -11.779 -0.762 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.606 -8.654 0.455 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.993 -9.659 0.020 1.00 61.14 H new ATOM 229 N THR A 14 14.925 -9.886 0.940 1.00 42.14 N ATOM 230 CA THR A 14 14.398 -9.490 2.242 1.00 3.41 C ATOM 231 C THR A 14 12.942 -9.025 2.112 1.00 32.20 C ATOM 232 O THR A 14 12.670 -7.855 1.814 1.00 15.22 O ATOM 233 CB THR A 14 15.272 -8.375 2.878 1.00 43.13 C ATOM 234 OG1 THR A 14 16.661 -8.656 2.663 1.00 71.40 O ATOM 235 CG2 THR A 14 15.020 -8.240 4.378 1.00 52.24 C ATOM 0 H THR A 14 14.917 -9.142 0.243 1.00 42.14 H new ATOM 0 HA THR A 14 14.427 -10.359 2.899 1.00 3.41 H new ATOM 0 HB THR A 14 14.998 -7.436 2.397 1.00 43.13 H new ATOM 0 HG1 THR A 14 17.204 -7.947 3.066 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.651 -7.449 4.783 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.973 -7.992 4.550 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.256 -9.182 4.873 1.00 52.24 H new ATOM 243 N PHE A 15 12.016 -9.964 2.318 1.00 33.20 N ATOM 244 CA PHE A 15 10.583 -9.678 2.240 1.00 11.33 C ATOM 245 C PHE A 15 9.968 -9.574 3.640 1.00 41.44 C ATOM 246 O PHE A 15 10.437 -10.241 4.567 1.00 72.11 O ATOM 247 CB PHE A 15 9.862 -10.762 1.432 1.00 23.11 C ATOM 248 CG PHE A 15 10.282 -10.820 -0.011 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.444 -11.478 -0.382 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.517 -10.211 -0.991 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.836 -11.527 -1.704 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.903 -10.258 -2.318 1.00 12.41 C ATOM 253 CZ PHE A 15 11.064 -10.917 -2.674 1.00 50.43 C ATOM 0 H PHE A 15 12.236 -10.935 2.541 1.00 33.20 H new ATOM 0 HA PHE A 15 10.460 -8.720 1.736 1.00 11.33 H new ATOM 0 HB2 PHE A 15 10.048 -11.731 1.895 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.788 -10.586 1.482 1.00 23.11 H new ATOM 0 HD1 PHE A 15 12.050 -11.958 0.372 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.609 -9.694 -0.716 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.745 -12.041 -1.980 1.00 21.24 H new ATOM 0 HE2 PHE A 15 9.298 -9.781 -3.075 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.368 -10.955 -3.710 1.00 50.43 H new ATOM 263 N PRO A 16 8.903 -8.734 3.818 1.00 13.34 N ATOM 264 CA PRO A 16 8.240 -8.558 5.124 1.00 31.25 C ATOM 265 C PRO A 16 7.474 -9.802 5.584 1.00 31.31 C ATOM 266 O PRO A 16 6.685 -10.375 4.827 1.00 15.10 O ATOM 267 CB PRO A 16 7.277 -7.383 4.902 1.00 64.23 C ATOM 268 CG PRO A 16 7.082 -7.275 3.426 1.00 2.14 C ATOM 269 CD PRO A 16 8.291 -7.883 2.769 1.00 35.24 C ATOM 0 HA PRO A 16 8.972 -8.379 5.912 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.327 -7.557 5.408 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.690 -6.460 5.308 1.00 64.23 H new ATOM 0 HG2 PRO A 16 6.175 -7.796 3.119 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.967 -6.233 3.129 1.00 2.14 H new ATOM 0 HD2 PRO A 16 8.012 -8.471 1.895 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.985 -7.114 2.428 1.00 35.24 H new HETATM 277 N MLY A 17 7.728 -10.203 6.835 1.00 65.54 N HETATM 278 CA MLY A 17 7.087 -11.376 7.437 1.00 1.40 C HETATM 279 CB MLY A 17 8.035 -12.045 8.442 1.00 3.13 C HETATM 280 CG MLY A 17 9.363 -12.490 7.840 1.00 4.51 C HETATM 281 CD MLY A 17 10.218 -13.238 8.852 1.00 62.24 C HETATM 282 CE MLY A 17 11.387 -12.389 9.334 1.00 72.30 C HETATM 283 NZ MLY A 17 12.201 -13.155 10.293 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.228 -12.455 11.587 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.574 -13.286 9.780 1.00 4.23 C HETATM 286 C MLY A 17 5.778 -10.993 8.127 1.00 62.13 C HETATM 287 O MLY A 17 5.581 -9.835 8.508 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.557 -13.807 8.823 1.00 4.23 H new HETATM 0 HH22 MLY A 17 14.009 -12.295 9.646 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.175 -13.853 10.491 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.661 -11.463 11.455 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.212 -12.359 11.970 1.00 21.43 H new HETATM 0 HH11 MLY A 17 12.831 -13.023 12.296 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.175 -13.131 6.978 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.908 -11.619 7.477 1.00 4.51 H new HETATM 0 HE3 MLY A 17 12.000 -12.084 8.486 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.017 -11.478 9.804 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.603 -13.529 9.704 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.595 -14.156 8.402 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.232 -11.350 9.258 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.536 -12.912 8.875 1.00 3.13 H new HETATM 0 HA MLY A 17 6.859 -12.082 6.638 1.00 1.40 H new HETATM 0 H MLY A 17 8.676 -9.944 7.108 1.00 65.54 H new ATOM 304 N ARG A 18 4.893 -11.985 8.283 1.00 75.42 N ATOM 305 CA ARG A 18 3.586 -11.794 8.915 1.00 34.53 C ATOM 306 C ARG A 18 3.714 -11.721 10.446 1.00 50.25 C ATOM 307 O ARG A 18 4.224 -12.651 11.080 1.00 2.04 O ATOM 308 CB ARG A 18 2.660 -12.945 8.494 1.00 61.11 C ATOM 309 CG ARG A 18 1.173 -12.685 8.713 1.00 12.50 C ATOM 310 CD ARG A 18 0.336 -13.885 8.297 1.00 23.10 C ATOM 311 NE ARG A 18 -1.103 -13.619 8.403 1.00 72.31 N ATOM 312 CZ ARG A 18 -2.048 -14.564 8.513 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.730 -15.857 8.536 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.322 -14.208 8.602 1.00 35.44 N ATOM 0 H ARG A 18 5.065 -12.942 7.974 1.00 75.42 H new ATOM 0 HA ARG A 18 3.161 -10.846 8.585 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.825 -13.157 7.438 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.943 -13.841 9.047 1.00 61.11 H new ATOM 0 HG2 ARG A 18 0.992 -12.459 9.764 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.867 -11.809 8.141 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.579 -14.157 7.270 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.593 -14.740 8.923 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.406 -12.645 8.392 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.753 -16.143 8.469 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.463 -16.561 8.620 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.578 -13.221 8.587 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -4.046 -14.921 8.686 1.00 35.44 H new ATOM 328 N GLY A 19 3.248 -10.603 11.018 1.00 24.02 N ATOM 329 CA GLY A 19 3.304 -10.407 12.462 1.00 64.12 C ATOM 330 C GLY A 19 4.133 -9.201 12.878 1.00 64.12 C ATOM 331 O GLY A 19 3.881 -8.612 13.933 1.00 0.22 O ATOM 0 H GLY A 19 2.832 -9.828 10.502 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.290 -10.291 12.845 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.719 -11.301 12.926 1.00 64.12 H new ATOM 335 N GLN A 20 5.120 -8.835 12.050 1.00 1.30 N ATOM 336 CA GLN A 20 5.999 -7.693 12.331 1.00 31.02 C ATOM 337 C GLN A 20 5.519 -6.435 11.600 1.00 45.43 C ATOM 338 O GLN A 20 4.765 -6.524 10.626 1.00 32.11 O ATOM 339 CB GLN A 20 7.463 -8.014 11.958 1.00 72.14 C ATOM 340 CG GLN A 20 7.638 -8.822 10.672 1.00 0.44 C ATOM 341 CD GLN A 20 8.799 -8.334 9.835 1.00 23.22 C ATOM 342 OE1 GLN A 20 9.930 -8.796 9.987 1.00 53.30 O ATOM 343 NE2 GLN A 20 8.522 -7.392 8.945 1.00 33.54 N ATOM 0 H GLN A 20 5.330 -9.316 11.176 1.00 1.30 H new ATOM 0 HA GLN A 20 5.957 -7.499 13.403 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.011 -7.077 11.858 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.920 -8.564 12.781 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.792 -9.871 10.924 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.722 -8.766 10.084 1.00 0.44 H new ATOM 0 HE21 GLN A 20 7.569 -7.040 8.855 1.00 33.54 H new ATOM 0 HE22 GLN A 20 9.262 -7.019 8.350 1.00 33.54 H new ATOM 352 N THR A 21 5.970 -5.266 12.080 1.00 41.53 N ATOM 353 CA THR A 21 5.593 -3.975 11.493 1.00 5.30 C ATOM 354 C THR A 21 6.493 -3.626 10.306 1.00 73.13 C ATOM 355 O THR A 21 7.685 -3.947 10.304 1.00 42.40 O ATOM 356 CB THR A 21 5.655 -2.828 12.531 1.00 62.42 C ATOM 357 OG1 THR A 21 5.520 -3.346 13.862 1.00 0.54 O ATOM 358 CG2 THR A 21 4.553 -1.803 12.282 1.00 71.14 C ATOM 0 H THR A 21 6.600 -5.191 12.878 1.00 41.53 H new ATOM 0 HA THR A 21 4.563 -4.079 11.150 1.00 5.30 H new ATOM 0 HB THR A 21 6.624 -2.341 12.425 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.563 -2.609 14.506 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.620 -1.009 13.025 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.670 -1.378 11.285 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.580 -2.289 12.357 1.00 71.14 H new ATOM 366 N CYS A 22 5.902 -2.967 9.306 1.00 42.51 N ATOM 367 CA CYS A 22 6.619 -2.570 8.101 1.00 32.11 C ATOM 368 C CYS A 22 6.501 -1.069 7.868 1.00 1.42 C ATOM 369 O CYS A 22 5.397 -0.533 7.718 1.00 21.41 O ATOM 370 CB CYS A 22 6.084 -3.337 6.889 1.00 52.32 C ATOM 371 SG CYS A 22 6.133 -5.135 7.076 1.00 70.12 S ATOM 0 H CYS A 22 4.918 -2.697 9.312 1.00 42.51 H new ATOM 0 HA CYS A 22 7.673 -2.813 8.236 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.055 -3.029 6.703 1.00 52.32 H new ATOM 0 HB3 CYS A 22 6.665 -3.057 6.010 1.00 52.32 H new ATOM 0 HG CYS A 22 5.254 -5.503 7.960 1.00 70.12 H new ATOM 377 N VAL A 23 7.657 -0.402 7.853 1.00 22.12 N ATOM 378 CA VAL A 23 7.733 1.048 7.631 1.00 41.54 C ATOM 379 C VAL A 23 7.835 1.332 6.131 1.00 42.33 C ATOM 380 O VAL A 23 8.849 1.017 5.498 1.00 53.12 O ATOM 381 CB VAL A 23 8.948 1.691 8.366 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.860 3.216 8.367 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.088 1.148 9.785 1.00 4.23 C ATOM 0 H VAL A 23 8.564 -0.847 7.993 1.00 22.12 H new ATOM 0 HA VAL A 23 6.826 1.492 8.040 1.00 41.54 H new ATOM 0 HB VAL A 23 9.846 1.414 7.813 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.723 3.630 8.888 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.847 3.580 7.340 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.947 3.527 8.874 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.944 1.616 10.271 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.183 1.371 10.351 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.237 0.069 9.749 1.00 4.23 H new ATOM 393 N VAL A 24 6.772 1.917 5.573 1.00 14.00 N ATOM 394 CA VAL A 24 6.726 2.233 4.142 1.00 22.54 C ATOM 395 C VAL A 24 5.940 3.517 3.874 1.00 24.45 C ATOM 396 O VAL A 24 5.044 3.881 4.640 1.00 4.04 O ATOM 397 CB VAL A 24 6.124 1.069 3.278 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.010 -0.168 3.318 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.710 0.689 3.711 1.00 42.42 C ATOM 0 H VAL A 24 5.933 2.181 6.089 1.00 14.00 H new ATOM 0 HA VAL A 24 7.764 2.374 3.842 1.00 22.54 H new ATOM 0 HB VAL A 24 6.077 1.449 2.257 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.564 -0.955 2.710 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.997 0.078 2.926 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.104 -0.515 4.347 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.342 -0.120 3.081 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.723 0.362 4.751 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.054 1.554 3.611 1.00 42.42 H new ATOM 409 N HIS A 25 6.295 4.185 2.778 1.00 54.10 N ATOM 410 CA HIS A 25 5.633 5.415 2.356 1.00 74.10 C ATOM 411 C HIS A 25 4.699 5.108 1.186 1.00 33.22 C ATOM 412 O HIS A 25 5.134 4.541 0.178 1.00 41.11 O ATOM 413 CB HIS A 25 6.682 6.452 1.948 1.00 2.24 C ATOM 414 CG HIS A 25 7.021 7.438 3.023 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.152 8.400 3.482 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.171 7.607 3.728 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.785 9.106 4.427 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.012 8.666 4.614 1.00 4.31 N ATOM 0 H HIS A 25 7.049 3.888 2.159 1.00 54.10 H new ATOM 0 HA HIS A 25 5.047 5.821 3.180 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.592 5.933 1.647 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.320 6.994 1.074 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.066 7.013 3.617 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.345 9.931 4.967 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.702 9.027 5.272 1.00 4.31 H new ATOM 426 N TYR A 26 3.421 5.479 1.323 1.00 62.35 N ATOM 427 CA TYR A 26 2.431 5.213 0.277 1.00 21.44 C ATOM 428 C TYR A 26 1.847 6.499 -0.320 1.00 74.34 C ATOM 429 O TYR A 26 2.030 7.592 0.225 1.00 64.11 O ATOM 430 CB TYR A 26 1.312 4.298 0.826 1.00 4.12 C ATOM 431 CG TYR A 26 0.387 4.942 1.845 1.00 41.22 C ATOM 432 CD1 TYR A 26 0.641 4.846 3.205 1.00 24.15 C ATOM 433 CD2 TYR A 26 -0.744 5.637 1.435 1.00 5.22 C ATOM 434 CE1 TYR A 26 -0.210 5.426 4.129 1.00 73.10 C ATOM 435 CE2 TYR A 26 -1.595 6.221 2.349 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.324 6.113 3.696 1.00 12.10 C ATOM 437 OH TYR A 26 -2.172 6.691 4.613 1.00 1.22 O ATOM 0 H TYR A 26 3.051 5.961 2.142 1.00 62.35 H new ATOM 0 HA TYR A 26 2.944 4.700 -0.537 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.712 3.943 -0.012 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.773 3.421 1.281 1.00 4.12 H new ATOM 0 HD1 TYR A 26 1.515 4.311 3.547 1.00 24.15 H new ATOM 0 HD2 TYR A 26 -0.961 5.721 0.380 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -0.002 5.341 5.185 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -2.468 6.760 2.012 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.907 7.137 4.143 1.00 1.22 H new ATOM 447 N THR A 27 1.142 6.336 -1.448 1.00 54.44 N ATOM 448 CA THR A 27 0.494 7.440 -2.151 1.00 13.54 C ATOM 449 C THR A 27 -0.787 6.937 -2.829 1.00 42.43 C ATOM 450 O THR A 27 -0.726 6.157 -3.786 1.00 34.01 O ATOM 451 CB THR A 27 1.434 8.077 -3.213 1.00 41.24 C ATOM 452 OG1 THR A 27 2.794 8.036 -2.762 1.00 5.33 O ATOM 453 CG2 THR A 27 1.050 9.525 -3.495 1.00 10.41 C ATOM 0 H THR A 27 1.008 5.430 -1.896 1.00 54.44 H new ATOM 0 HA THR A 27 0.251 8.208 -1.417 1.00 13.54 H new ATOM 0 HB THR A 27 1.330 7.499 -4.131 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.376 8.439 -3.440 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.726 9.942 -4.241 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.027 9.564 -3.870 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.122 10.106 -2.576 1.00 10.41 H new ATOM 461 N GLY A 28 -1.940 7.382 -2.313 1.00 62.24 N ATOM 462 CA GLY A 28 -3.226 6.972 -2.867 1.00 22.33 C ATOM 463 C GLY A 28 -3.753 7.948 -3.904 1.00 23.41 C ATOM 464 O GLY A 28 -3.984 9.122 -3.603 1.00 74.50 O ATOM 0 H GLY A 28 -2.004 8.020 -1.520 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.124 5.986 -3.320 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.952 6.878 -2.059 1.00 22.33 H new ATOM 468 N MET A 29 -3.939 7.443 -5.127 1.00 72.23 N ATOM 469 CA MET A 29 -4.428 8.242 -6.254 1.00 35.31 C ATOM 470 C MET A 29 -5.500 7.491 -7.025 1.00 35.15 C ATOM 471 O MET A 29 -5.336 6.310 -7.345 1.00 40.34 O ATOM 472 CB MET A 29 -3.266 8.596 -7.188 1.00 63.22 C ATOM 473 CG MET A 29 -2.331 9.666 -6.648 1.00 23.45 C ATOM 474 SD MET A 29 -0.726 9.680 -7.481 1.00 60.11 S ATOM 475 CE MET A 29 0.037 8.184 -6.840 1.00 24.43 C ATOM 0 H MET A 29 -3.755 6.468 -5.364 1.00 72.23 H new ATOM 0 HA MET A 29 -4.866 9.159 -5.859 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.689 7.693 -7.388 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.672 8.933 -8.142 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.801 10.643 -6.759 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.180 9.505 -5.581 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.119 8.250 -6.955 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.210 8.073 -5.784 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.335 7.321 -7.392 1.00 24.43 H new ATOM 485 N LEU A 30 -6.604 8.196 -7.316 1.00 40.05 N ATOM 486 CA LEU A 30 -7.740 7.640 -8.071 1.00 32.04 C ATOM 487 C LEU A 30 -7.319 7.085 -9.442 1.00 0.41 C ATOM 488 O LEU A 30 -6.174 7.265 -9.868 1.00 4.33 O ATOM 489 CB LEU A 30 -8.808 8.730 -8.267 1.00 20.24 C ATOM 490 CG LEU A 30 -9.826 8.878 -7.131 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.511 10.233 -7.204 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.863 7.762 -7.181 1.00 0.13 C ATOM 0 H LEU A 30 -6.735 9.168 -7.035 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.142 6.809 -7.491 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.303 9.686 -8.404 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.349 8.520 -9.190 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.289 8.806 -6.185 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.231 10.321 -6.390 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.765 11.023 -7.116 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.029 10.328 -8.158 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.574 7.889 -6.365 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.393 7.800 -8.133 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.365 6.798 -7.081 1.00 0.13 H new ATOM 504 N GLU A 31 -8.266 6.411 -10.126 1.00 10.33 N ATOM 505 CA GLU A 31 -8.036 5.830 -11.457 1.00 40.43 C ATOM 506 C GLU A 31 -7.546 6.879 -12.465 1.00 13.34 C ATOM 507 O GLU A 31 -6.845 6.550 -13.425 1.00 3.22 O ATOM 508 CB GLU A 31 -9.327 5.191 -11.964 1.00 23.24 C ATOM 509 CG GLU A 31 -9.099 3.895 -12.711 1.00 62.31 C ATOM 510 CD GLU A 31 -10.389 3.253 -13.184 1.00 4.43 C ATOM 511 OE1 GLU A 31 -10.832 3.569 -14.308 1.00 71.15 O ATOM 512 OE2 GLU A 31 -10.957 2.436 -12.429 1.00 72.00 O ATOM 0 H GLU A 31 -9.209 6.256 -9.769 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.255 5.075 -11.362 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -9.988 5.003 -11.118 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -9.840 5.895 -12.619 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.457 4.085 -13.571 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.567 3.197 -12.064 1.00 62.31 H new ATOM 519 N ASP A 32 -7.931 8.137 -12.224 1.00 34.23 N ATOM 520 CA ASP A 32 -7.538 9.258 -13.073 1.00 2.24 C ATOM 521 C ASP A 32 -6.204 9.867 -12.621 1.00 23.33 C ATOM 522 O ASP A 32 -5.567 10.592 -13.392 1.00 53.30 O ATOM 523 CB ASP A 32 -8.629 10.330 -13.059 1.00 52.51 C ATOM 524 CG ASP A 32 -9.848 9.931 -13.868 1.00 32.21 C ATOM 525 OD1 ASP A 32 -9.879 10.227 -15.081 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.772 9.322 -13.289 1.00 44.13 O ATOM 0 H ASP A 32 -8.522 8.402 -11.436 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.408 8.880 -14.087 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -8.929 10.525 -12.029 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.224 11.261 -13.455 1.00 52.51 H new ATOM 531 N GLY A 33 -5.786 9.572 -11.375 1.00 51.42 N ATOM 532 CA GLY A 33 -4.520 10.090 -10.872 1.00 4.22 C ATOM 533 C GLY A 33 -4.688 11.215 -9.868 1.00 24.43 C ATOM 534 O GLY A 33 -3.719 11.913 -9.555 1.00 35.01 O ATOM 0 H GLY A 33 -6.302 8.988 -10.717 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -3.962 9.277 -10.407 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -3.923 10.447 -11.711 1.00 4.22 H new HETATM 538 N MLY A 34 -5.916 11.390 -9.362 1.00 33.34 N HETATM 539 CA MLY A 34 -6.209 12.436 -8.384 1.00 10.41 C HETATM 540 CB MLY A 34 -7.630 12.983 -8.585 1.00 31.10 C HETATM 541 CG MLY A 34 -7.776 13.899 -9.794 1.00 32.53 C HETATM 542 CD MLY A 34 -8.498 15.186 -9.432 1.00 45.44 C HETATM 543 CE MLY A 34 -8.767 16.038 -10.666 1.00 24.42 C HETATM 544 NZ MLY A 34 -10.116 15.757 -11.186 1.00 25.53 N HETATM 545 CH1 MLY A 34 -10.019 15.255 -12.566 1.00 63.25 C HETATM 546 CH2 MLY A 34 -10.918 16.990 -11.171 1.00 35.50 C HETATM 547 C MLY A 34 -6.042 11.895 -6.967 1.00 13.44 C HETATM 548 O MLY A 34 -6.798 11.018 -6.533 1.00 42.22 O HETATM 0 HH23 MLY A 34 -10.994 17.362 -10.149 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -10.439 17.743 -11.796 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -11.916 16.780 -11.556 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -9.539 16.006 -13.193 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.428 14.339 -12.579 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -11.018 15.048 -12.949 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -6.790 14.134 -10.195 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -8.325 13.381 -10.580 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -8.678 17.095 -10.415 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -8.021 15.828 -11.433 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.441 14.950 -8.938 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.899 15.753 -8.720 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.319 12.145 -8.691 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -7.928 13.529 -7.690 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.504 13.254 -8.531 1.00 10.41 H new HETATM 0 H MLY A 34 -6.620 11.123 -10.050 1.00 33.34 H new HETATM 565 N MLY A 35 -5.029 12.414 -6.256 1.00 11.11 N HETATM 566 CA MLY A 35 -4.730 11.999 -4.887 1.00 61.33 C HETATM 567 CB MLY A 35 -3.525 12.753 -4.353 1.00 75.25 C HETATM 568 CG MLY A 35 -2.600 11.878 -3.544 1.00 53.41 C HETATM 569 CD MLY A 35 -1.641 12.718 -2.715 1.00 45.12 C HETATM 570 CE MLY A 35 -0.320 12.886 -3.430 1.00 62.43 C HETATM 571 NZ MLY A 35 0.590 13.730 -2.632 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.895 14.965 -3.375 1.00 0.41 C HETATM 573 CH2 MLY A 35 1.841 13.004 -2.366 1.00 55.25 C HETATM 574 C MLY A 35 -5.898 12.207 -3.939 1.00 41.14 C HETATM 575 O MLY A 35 -6.692 13.140 -4.098 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.621 12.090 -1.814 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.322 12.750 -3.310 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.508 13.633 -1.777 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.372 14.712 -4.322 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.029 15.510 -3.569 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.567 15.588 -2.785 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -3.185 11.233 -2.888 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -2.035 11.226 -4.210 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.135 11.911 -3.602 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.483 13.339 -4.408 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -2.082 13.696 -2.521 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.478 12.244 -1.747 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.972 13.184 -5.188 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.866 13.583 -3.734 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.520 10.930 -4.933 1.00 61.33 H new HETATM 0 H MLY A 35 -4.452 13.121 -6.712 1.00 11.11 H new ATOM 592 N PHE A 36 -5.978 11.317 -2.956 1.00 13.53 N ATOM 593 CA PHE A 36 -7.019 11.367 -1.947 1.00 33.32 C ATOM 594 C PHE A 36 -6.440 11.182 -0.539 1.00 4.15 C ATOM 595 O PHE A 36 -7.118 11.490 0.444 1.00 61.44 O ATOM 596 CB PHE A 36 -8.126 10.331 -2.244 1.00 44.41 C ATOM 597 CG PHE A 36 -7.671 8.902 -2.429 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.392 8.100 -1.334 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.558 8.358 -3.698 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.010 6.783 -1.501 1.00 1.12 C ATOM 601 CE2 PHE A 36 -7.171 7.043 -3.872 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.899 6.253 -2.772 1.00 32.03 C ATOM 0 H PHE A 36 -5.323 10.544 -2.840 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.473 12.357 -1.983 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.848 10.358 -1.428 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.653 10.642 -3.146 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.474 8.509 -0.338 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.775 8.969 -4.562 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.798 6.168 -0.639 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -7.081 6.633 -4.867 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.600 5.224 -2.905 1.00 32.03 H new ATOM 612 N ASP A 37 -5.173 10.695 -0.451 1.00 71.54 N ATOM 613 CA ASP A 37 -4.491 10.465 0.846 1.00 12.22 C ATOM 614 C ASP A 37 -3.110 9.835 0.660 1.00 5.44 C ATOM 615 O ASP A 37 -2.987 8.680 0.234 1.00 15.20 O ATOM 616 CB ASP A 37 -5.313 9.569 1.797 1.00 35.30 C ATOM 617 CG ASP A 37 -5.947 10.351 2.932 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.209 10.766 3.850 1.00 70.34 O ATOM 619 OD2 ASP A 37 -7.180 10.546 2.903 1.00 70.24 O ATOM 0 H ASP A 37 -4.606 10.455 -1.264 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.386 11.453 1.294 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -6.093 9.063 1.229 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.666 8.795 2.211 1.00 35.30 H new ATOM 624 N SER A 38 -2.079 10.621 0.968 1.00 35.14 N ATOM 625 CA SER A 38 -0.690 10.163 0.903 1.00 72.05 C ATOM 626 C SER A 38 -0.018 10.321 2.268 1.00 61.33 C ATOM 627 O SER A 38 -0.285 11.284 2.994 1.00 53.42 O ATOM 628 CB SER A 38 0.081 10.923 -0.182 1.00 1.53 C ATOM 629 OG SER A 38 1.467 10.617 -0.157 1.00 1.21 O ATOM 0 H SER A 38 -2.181 11.590 1.269 1.00 35.14 H new ATOM 0 HA SER A 38 -0.683 9.106 0.638 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.329 10.674 -1.161 1.00 1.53 H new ATOM 0 HB3 SER A 38 -0.057 11.995 -0.042 1.00 1.53 H new ATOM 0 HG SER A 38 1.587 9.652 -0.033 1.00 1.21 H new ATOM 635 N SER A 39 0.853 9.361 2.601 1.00 34.10 N ATOM 636 CA SER A 39 1.576 9.344 3.883 1.00 3.40 C ATOM 637 C SER A 39 2.763 10.317 3.903 1.00 71.04 C ATOM 638 O SER A 39 3.037 10.945 4.930 1.00 14.42 O ATOM 639 CB SER A 39 2.068 7.926 4.182 1.00 71.12 C ATOM 640 OG SER A 39 2.455 7.790 5.538 1.00 65.25 O ATOM 0 H SER A 39 1.078 8.574 1.992 1.00 34.10 H new ATOM 0 HA SER A 39 0.876 9.670 4.652 1.00 3.40 H new ATOM 0 HB2 SER A 39 1.279 7.209 3.953 1.00 71.12 H new ATOM 0 HB3 SER A 39 2.912 7.688 3.535 1.00 71.12 H new ATOM 0 HG SER A 39 3.122 8.473 5.758 1.00 65.25 H new ATOM 646 N ARG A 40 3.457 10.433 2.761 1.00 52.53 N ATOM 647 CA ARG A 40 4.629 11.320 2.624 1.00 1.22 C ATOM 648 C ARG A 40 4.242 12.809 2.616 1.00 23.13 C ATOM 649 O ARG A 40 5.074 13.667 2.926 1.00 22.12 O ATOM 650 CB ARG A 40 5.438 10.965 1.364 1.00 50.10 C ATOM 651 CG ARG A 40 4.610 10.922 0.082 1.00 40.44 C ATOM 652 CD ARG A 40 5.051 11.983 -0.916 1.00 34.30 C ATOM 653 NE ARG A 40 4.643 13.336 -0.512 1.00 13.41 N ATOM 654 CZ ARG A 40 4.991 14.461 -1.153 1.00 54.32 C ATOM 655 NH1 ARG A 40 5.760 14.426 -2.241 1.00 24.54 N ATOM 656 NH2 ARG A 40 4.564 15.632 -0.700 1.00 51.01 N ATOM 0 H ARG A 40 3.226 9.920 1.910 1.00 52.53 H new ATOM 0 HA ARG A 40 5.253 11.156 3.502 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.239 11.694 1.242 1.00 50.10 H new ATOM 0 HB3 ARG A 40 5.911 9.994 1.511 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.698 9.936 -0.374 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.557 11.068 0.325 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.135 11.950 -1.022 1.00 34.30 H new ATOM 0 HD3 ARG A 40 4.628 11.756 -1.895 1.00 34.30 H new ATOM 0 HE ARG A 40 4.053 13.425 0.315 1.00 13.41 H new ATOM 0 HH11 ARG A 40 6.095 13.532 -2.600 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.014 15.293 -2.714 1.00 24.54 H new ATOM 0 HH21 ARG A 40 3.975 15.673 0.131 1.00 51.01 H new ATOM 0 HH22 ARG A 40 4.825 16.492 -1.183 1.00 51.01 H new ATOM 670 N ASP A 41 2.976 13.105 2.258 1.00 23.13 N ATOM 671 CA ASP A 41 2.465 14.490 2.223 1.00 52.45 C ATOM 672 C ASP A 41 2.551 15.147 3.605 1.00 31.20 C ATOM 673 O ASP A 41 2.705 16.366 3.718 1.00 42.45 O ATOM 674 CB ASP A 41 1.014 14.508 1.740 1.00 64.34 C ATOM 675 CG ASP A 41 0.703 15.716 0.877 1.00 34.14 C ATOM 676 OD1 ASP A 41 0.870 15.623 -0.357 1.00 51.32 O ATOM 677 OD2 ASP A 41 0.291 16.754 1.436 1.00 2.32 O ATOM 0 H ASP A 41 2.288 12.402 1.989 1.00 23.13 H new ATOM 0 HA ASP A 41 3.087 15.056 1.529 1.00 52.45 H new ATOM 0 HB2 ASP A 41 0.812 13.599 1.173 1.00 64.34 H new ATOM 0 HB3 ASP A 41 0.347 14.501 2.602 1.00 64.34 H new ATOM 682 N ARG A 42 2.447 14.311 4.644 1.00 55.15 N ATOM 683 CA ARG A 42 2.530 14.759 6.036 1.00 51.54 C ATOM 684 C ARG A 42 3.970 14.624 6.552 1.00 4.45 C ATOM 685 O ARG A 42 4.262 14.945 7.709 1.00 25.12 O ATOM 686 CB ARG A 42 1.575 13.942 6.925 1.00 71.30 C ATOM 687 CG ARG A 42 0.127 13.925 6.440 1.00 51.14 C ATOM 688 CD ARG A 42 -0.837 13.474 7.530 1.00 2.40 C ATOM 689 NE ARG A 42 -0.723 12.038 7.819 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.451 11.382 8.735 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.362 12.015 9.473 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.263 10.082 8.911 1.00 13.42 N ATOM 0 H ARG A 42 2.303 13.306 4.542 1.00 55.15 H new ATOM 0 HA ARG A 42 2.234 15.807 6.078 1.00 51.54 H new ATOM 0 HB2 ARG A 42 1.939 12.916 6.983 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.603 14.347 7.936 1.00 71.30 H new ATOM 0 HG2 ARG A 42 -0.152 14.922 6.099 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.040 13.259 5.582 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.643 14.042 8.440 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -1.858 13.700 7.224 1.00 2.40 H new ATOM 0 HE ARG A 42 -0.041 11.501 7.284 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.515 13.015 9.346 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -2.906 11.499 10.165 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -0.568 9.587 8.352 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -1.813 9.577 9.606 1.00 13.42 H new ATOM 706 N ASN A 43 4.872 14.149 5.660 1.00 54.33 N ATOM 707 CA ASN A 43 6.308 13.937 5.960 1.00 4.33 C ATOM 708 C ASN A 43 6.510 12.861 7.043 1.00 11.11 C ATOM 709 O ASN A 43 7.413 12.964 7.885 1.00 34.31 O ATOM 710 CB ASN A 43 6.998 15.260 6.361 1.00 24.02 C ATOM 711 CG ASN A 43 7.099 16.239 5.205 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.205 17.058 4.990 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.191 16.158 4.454 1.00 53.22 N ATOM 0 H ASN A 43 4.621 13.900 4.703 1.00 54.33 H new ATOM 0 HA ASN A 43 6.778 13.576 5.046 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.442 15.723 7.177 1.00 24.02 H new ATOM 0 HB3 ASN A 43 7.998 15.044 6.738 1.00 24.02 H new ATOM 0 HD21 ASN A 43 8.314 16.790 3.663 1.00 53.22 H new ATOM 0 HD22 ASN A 43 8.907 15.464 4.668 1.00 53.22 H new HETATM 720 N MLY A 44 5.670 11.812 6.997 1.00 34.54 N HETATM 721 CA MLY A 44 5.744 10.715 7.976 1.00 24.12 C HETATM 722 CB MLY A 44 4.817 10.981 9.169 1.00 25.45 C HETATM 723 CG MLY A 44 5.419 11.911 10.214 1.00 5.24 C HETATM 724 CD MLY A 44 4.636 13.211 10.319 1.00 1.13 C HETATM 725 CE MLY A 44 5.301 14.190 11.278 1.00 34.53 C HETATM 726 NZ MLY A 44 4.887 13.899 12.661 1.00 51.05 N HETATM 727 CH1 MLY A 44 4.209 15.074 13.231 1.00 12.22 C HETATM 728 CH2 MLY A 44 6.070 13.577 13.474 1.00 50.43 C HETATM 729 C MLY A 44 5.389 9.369 7.338 1.00 2.04 C HETATM 730 O MLY A 44 4.342 9.249 6.697 1.00 74.11 O HETATM 0 HH23 MLY A 44 6.572 12.705 13.056 1.00 50.43 H new HETATM 0 HH22 MLY A 44 6.754 14.425 13.472 1.00 50.43 H new HETATM 0 HH21 MLY A 44 5.761 13.362 14.497 1.00 50.43 H new HETATM 0 HH13 MLY A 44 4.891 15.924 13.229 1.00 12.22 H new HETATM 0 HH12 MLY A 44 3.330 15.313 12.633 1.00 12.22 H new HETATM 0 HH11 MLY A 44 3.903 14.857 14.254 1.00 12.22 H new HETATM 0 HG3 MLY A 44 5.430 11.412 11.183 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.455 12.129 9.955 1.00 5.24 H new HETATM 0 HE3 MLY A 44 6.385 14.117 11.191 1.00 34.53 H new HETATM 0 HE2 MLY A 44 5.028 15.212 11.015 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.553 13.667 9.332 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.622 12.999 10.659 1.00 1.13 H new HETATM 0 HB3 MLY A 44 3.885 11.413 8.805 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.565 10.032 9.642 1.00 25.45 H new HETATM 0 HA MLY A 44 6.774 10.669 8.329 1.00 24.12 H new ATOM 747 N PRO A 45 6.266 8.328 7.502 1.00 62.03 N ATOM 748 CA PRO A 45 6.029 6.985 6.935 1.00 10.31 C ATOM 749 C PRO A 45 4.917 6.216 7.657 1.00 72.54 C ATOM 750 O PRO A 45 4.597 6.510 8.812 1.00 63.34 O ATOM 751 CB PRO A 45 7.376 6.275 7.099 1.00 65.23 C ATOM 752 CG PRO A 45 8.068 6.975 8.220 1.00 52.33 C ATOM 753 CD PRO A 45 7.558 8.391 8.234 1.00 64.14 C ATOM 0 HA PRO A 45 5.691 7.045 5.901 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.236 5.218 7.325 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.962 6.331 6.182 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.862 6.481 9.169 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.149 6.955 8.079 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.420 8.753 9.253 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.258 9.070 7.747 1.00 64.14 H new ATOM 761 N PHE A 46 4.342 5.236 6.956 1.00 52.43 N ATOM 762 CA PHE A 46 3.252 4.425 7.495 1.00 12.42 C ATOM 763 C PHE A 46 3.730 3.030 7.916 1.00 54.51 C ATOM 764 O PHE A 46 4.217 2.249 7.091 1.00 73.33 O ATOM 765 CB PHE A 46 2.137 4.318 6.450 1.00 50.23 C ATOM 766 CG PHE A 46 0.793 3.941 7.015 1.00 55.12 C ATOM 767 CD1 PHE A 46 -0.081 4.911 7.481 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.409 2.613 7.080 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.313 4.560 8.000 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.820 2.256 7.597 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.683 3.230 8.058 1.00 10.44 C ATOM 0 H PHE A 46 4.617 4.985 6.006 1.00 52.43 H new ATOM 0 HA PHE A 46 2.872 4.915 8.391 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.046 5.274 5.934 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.425 3.578 5.703 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.204 5.952 7.438 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.080 1.846 6.722 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.986 5.324 8.360 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.106 1.216 7.641 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.645 2.953 8.463 1.00 10.44 H new HETATM 781 N MLY A 47 3.589 2.746 9.214 1.00 21.12 N HETATM 782 CA MLY A 47 3.971 1.453 9.791 1.00 63.34 C HETATM 783 CB MLY A 47 4.796 1.670 11.065 1.00 43.31 C HETATM 784 CG MLY A 47 5.760 2.838 10.953 1.00 32.35 C HETATM 785 CD MLY A 47 6.707 2.930 12.124 1.00 72.20 C HETATM 786 CE MLY A 47 7.912 3.763 11.738 1.00 42.23 C HETATM 787 NZ MLY A 47 8.801 3.945 12.898 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.810 5.363 13.295 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.165 3.529 12.543 1.00 74.45 C HETATM 790 C MLY A 47 2.728 0.628 10.110 1.00 63.22 C HETATM 791 O MLY A 47 1.775 1.143 10.703 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.161 2.479 12.251 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.526 4.135 11.712 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.822 3.664 13.402 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.169 5.971 12.465 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.799 5.673 13.561 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.468 5.496 14.154 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.336 2.741 10.033 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.192 3.765 10.877 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.455 3.276 10.928 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.587 4.734 11.365 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.201 3.378 12.979 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.024 1.932 12.428 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.121 1.841 11.904 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.357 0.762 11.287 1.00 43.31 H new HETATM 0 HA MLY A 47 4.575 0.910 9.064 1.00 63.34 H new HETATM 0 H MLY A 47 3.878 3.612 9.668 1.00 21.12 H new ATOM 808 N PHE A 48 2.745 -0.653 9.713 1.00 63.04 N ATOM 809 CA PHE A 48 1.612 -1.561 9.949 1.00 23.12 C ATOM 810 C PHE A 48 2.086 -3.010 10.131 1.00 45.43 C ATOM 811 O PHE A 48 3.207 -3.356 9.745 1.00 53.22 O ATOM 812 CB PHE A 48 0.589 -1.465 8.790 1.00 60.34 C ATOM 813 CG PHE A 48 1.082 -1.984 7.460 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.855 -1.191 6.626 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.767 -3.270 7.053 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.304 -1.674 5.411 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.212 -3.757 5.841 1.00 73.33 C ATOM 818 CZ PHE A 48 1.981 -2.958 5.019 1.00 3.21 C ATOM 0 H PHE A 48 3.531 -1.084 9.227 1.00 63.04 H new ATOM 0 HA PHE A 48 1.123 -1.252 10.873 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.307 -2.019 9.070 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.295 -0.422 8.670 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.109 -0.186 6.929 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.166 -3.899 7.692 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.906 -1.048 4.769 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.959 -4.762 5.536 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.330 -3.337 4.070 1.00 3.21 H new ATOM 828 N MET A 49 1.218 -3.845 10.713 1.00 33.23 N ATOM 829 CA MET A 49 1.522 -5.256 10.938 1.00 71.14 C ATOM 830 C MET A 49 0.739 -6.136 9.970 1.00 22.43 C ATOM 831 O MET A 49 -0.461 -5.931 9.766 1.00 41.24 O ATOM 832 CB MET A 49 1.188 -5.651 12.375 1.00 22.35 C ATOM 833 CG MET A 49 2.399 -5.757 13.278 1.00 60.11 C ATOM 834 SD MET A 49 1.949 -5.904 15.016 1.00 51.55 S ATOM 835 CE MET A 49 3.566 -6.075 15.757 1.00 63.41 C ATOM 0 H MET A 49 0.294 -3.562 11.038 1.00 33.23 H new ATOM 0 HA MET A 49 2.588 -5.403 10.766 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.498 -4.917 12.792 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.668 -6.609 12.367 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.993 -6.623 12.985 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.029 -4.878 13.142 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.546 -6.879 16.493 1.00 63.41 H new ATOM 0 HE2 MET A 49 4.298 -6.309 14.984 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.842 -5.141 16.247 1.00 63.41 H new ATOM 845 N LEU A 50 1.434 -7.117 9.380 1.00 22.40 N ATOM 846 CA LEU A 50 0.826 -8.057 8.432 1.00 23.24 C ATOM 847 C LEU A 50 0.052 -9.154 9.150 1.00 71.40 C ATOM 848 O LEU A 50 0.488 -9.654 10.192 1.00 63.44 O ATOM 849 CB LEU A 50 1.907 -8.705 7.549 1.00 74.22 C ATOM 850 CG LEU A 50 2.160 -8.091 6.156 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.882 -7.980 5.342 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.865 -6.745 6.263 1.00 72.11 C ATOM 0 H LEU A 50 2.427 -7.280 9.545 1.00 22.40 H new ATOM 0 HA LEU A 50 0.133 -7.487 7.813 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.847 -8.684 8.100 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.642 -9.753 7.410 1.00 74.22 H new ATOM 0 HG LEU A 50 2.822 -8.773 5.622 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.107 -7.543 4.369 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.452 -8.972 5.203 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.169 -7.346 5.869 1.00 23.44 H new ATOM 0 HD21 LEU A 50 3.028 -6.339 5.265 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.247 -6.055 6.838 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.825 -6.876 6.763 1.00 72.11 H new ATOM 864 N GLY A 51 -1.100 -9.516 8.576 1.00 35.24 N ATOM 865 CA GLY A 51 -1.946 -10.554 9.151 1.00 71.31 C ATOM 866 C GLY A 51 -2.834 -10.054 10.286 1.00 50.01 C ATOM 867 O GLY A 51 -3.740 -10.769 10.725 1.00 31.34 O ATOM 0 H GLY A 51 -1.463 -9.104 7.716 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.575 -10.975 8.367 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.315 -11.362 9.522 1.00 71.31 H new HETATM 871 N MLY A 52 -2.569 -8.823 10.758 1.00 22.42 N HETATM 872 CA MLY A 52 -3.350 -8.207 11.839 1.00 50.33 C HETATM 873 CB MLY A 52 -2.509 -7.173 12.613 1.00 33.52 C HETATM 874 CG MLY A 52 -1.387 -7.755 13.478 1.00 64.24 C HETATM 875 CD MLY A 52 -1.911 -8.663 14.587 1.00 72.22 C HETATM 876 CE MLY A 52 -0.881 -8.854 15.692 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.481 -9.601 16.811 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.414 -8.790 18.037 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.743 -10.858 17.017 1.00 42.22 C HETATM 880 C MLY A 52 -4.603 -7.532 11.283 1.00 12.24 C HETATM 881 O MLY A 52 -5.516 -7.178 12.035 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.792 -11.462 16.111 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.299 -10.635 17.248 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -1.188 -11.410 17.845 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.373 -8.565 18.268 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -1.961 -7.859 17.888 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.858 -9.344 18.864 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.701 -8.319 12.846 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.815 -6.940 13.921 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.016 -9.393 15.306 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.524 -7.885 16.040 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -2.821 -8.236 15.008 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.179 -9.633 14.167 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.070 -6.478 11.897 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.175 -6.594 13.253 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.645 -9.002 12.524 1.00 50.33 H new HETATM 0 H MLY A 52 -1.599 -8.545 10.607 1.00 22.42 H new ATOM 898 N GLN A 53 -4.622 -7.357 9.945 1.00 64.22 N ATOM 899 CA GLN A 53 -5.749 -6.738 9.203 1.00 1.55 C ATOM 900 C GLN A 53 -5.881 -5.231 9.496 1.00 54.20 C ATOM 901 O GLN A 53 -6.977 -4.659 9.425 1.00 41.22 O ATOM 902 CB GLN A 53 -7.086 -7.470 9.474 1.00 51.25 C ATOM 903 CG GLN A 53 -7.093 -8.925 9.025 1.00 51.21 C ATOM 904 CD GLN A 53 -8.491 -9.508 8.957 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.155 -9.440 7.923 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.946 -10.086 10.063 1.00 1.32 N ATOM 0 H GLN A 53 -3.851 -7.642 9.341 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.516 -6.846 8.144 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.302 -7.428 10.541 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.890 -6.939 8.965 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.624 -9.001 8.044 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.490 -9.517 9.714 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.361 -10.120 10.898 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.880 -10.496 10.077 1.00 1.32 H new ATOM 915 N GLU A 54 -4.741 -4.591 9.800 1.00 41.31 N ATOM 916 CA GLU A 54 -4.693 -3.146 10.085 1.00 72.24 C ATOM 917 C GLU A 54 -4.730 -2.332 8.788 1.00 75.25 C ATOM 918 O GLU A 54 -4.916 -1.111 8.811 1.00 34.30 O ATOM 919 CB GLU A 54 -3.423 -2.793 10.869 1.00 53.34 C ATOM 920 CG GLU A 54 -3.420 -3.302 12.299 1.00 11.31 C ATOM 921 CD GLU A 54 -2.177 -2.889 13.063 1.00 20.35 C ATOM 922 OE1 GLU A 54 -1.180 -3.641 13.027 1.00 44.02 O ATOM 923 OE2 GLU A 54 -2.199 -1.813 13.696 1.00 15.22 O ATOM 0 H GLU A 54 -3.834 -5.054 9.855 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.568 -2.898 10.685 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.559 -3.204 10.346 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.304 -1.710 10.879 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.302 -2.925 12.817 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.494 -4.389 12.294 1.00 11.31 H new ATOM 930 N VAL A 55 -4.555 -3.034 7.665 1.00 22.22 N ATOM 931 CA VAL A 55 -4.552 -2.420 6.337 1.00 23.14 C ATOM 932 C VAL A 55 -5.473 -3.193 5.378 1.00 5.11 C ATOM 933 O VAL A 55 -6.116 -4.168 5.781 1.00 74.45 O ATOM 934 CB VAL A 55 -3.102 -2.310 5.762 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.292 -1.298 6.566 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.377 -3.661 5.735 1.00 43.13 C ATOM 0 H VAL A 55 -4.412 -4.044 7.652 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.940 -1.406 6.436 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.192 -1.971 4.730 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.284 -1.230 6.156 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.773 -0.321 6.511 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.240 -1.618 7.607 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.375 -3.528 5.327 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.307 -4.057 6.748 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.933 -4.360 5.110 1.00 43.13 H new ATOM 946 N ILE A 56 -5.532 -2.752 4.113 1.00 52.14 N ATOM 947 CA ILE A 56 -6.379 -3.392 3.093 1.00 1.25 C ATOM 948 C ILE A 56 -5.764 -4.698 2.570 1.00 22.44 C ATOM 949 O ILE A 56 -4.558 -4.922 2.706 1.00 40.42 O ATOM 950 CB ILE A 56 -6.701 -2.436 1.906 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.456 -1.648 1.436 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.821 -1.484 2.318 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.590 -1.032 0.053 1.00 34.03 C ATOM 0 H ILE A 56 -5.001 -1.951 3.770 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.317 -3.633 3.593 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.025 -3.041 1.059 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.249 -0.855 2.155 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.595 -2.316 1.441 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.050 -0.812 1.491 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.710 -2.059 2.576 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.503 -0.900 3.182 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.673 -0.498 -0.198 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.764 -1.819 -0.681 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.429 -0.336 0.044 1.00 34.03 H new ATOM 965 N ARG A 57 -6.613 -5.550 1.968 1.00 73.41 N ATOM 966 CA ARG A 57 -6.190 -6.852 1.424 1.00 3.13 C ATOM 967 C ARG A 57 -5.158 -6.693 0.301 1.00 73.31 C ATOM 968 O ARG A 57 -4.169 -7.430 0.253 1.00 3.15 O ATOM 969 CB ARG A 57 -7.408 -7.626 0.913 1.00 41.00 C ATOM 970 CG ARG A 57 -7.250 -9.135 1.001 1.00 54.31 C ATOM 971 CD ARG A 57 -8.544 -9.850 0.650 1.00 33.13 C ATOM 972 NE ARG A 57 -8.477 -11.286 0.944 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.498 -12.144 0.798 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.686 -11.732 0.359 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.324 -13.424 1.094 1.00 4.55 N ATOM 0 H ARG A 57 -7.607 -5.356 1.845 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.715 -7.410 2.231 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.285 -7.327 1.487 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.596 -7.348 -0.124 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.459 -9.459 0.325 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -6.942 -9.412 2.009 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.367 -9.404 1.208 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.762 -9.707 -0.408 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.590 -11.659 1.284 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -10.831 -10.749 0.127 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.450 -12.399 0.254 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.418 -13.751 1.430 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.096 -14.082 0.985 1.00 4.55 H new ATOM 989 N GLY A 58 -5.404 -5.725 -0.594 1.00 75.12 N ATOM 990 CA GLY A 58 -4.491 -5.450 -1.704 1.00 3.21 C ATOM 991 C GLY A 58 -3.107 -4.990 -1.247 1.00 15.14 C ATOM 992 O GLY A 58 -2.139 -5.089 -2.007 1.00 21.04 O ATOM 0 H GLY A 58 -6.227 -5.123 -0.568 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.386 -6.350 -2.310 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -4.928 -4.684 -2.344 1.00 3.21 H new ATOM 996 N TRP A 59 -3.020 -4.485 -0.001 1.00 34.52 N ATOM 997 CA TRP A 59 -1.748 -4.032 0.575 1.00 11.53 C ATOM 998 C TRP A 59 -0.971 -5.197 1.180 1.00 15.11 C ATOM 999 O TRP A 59 0.231 -5.317 0.960 1.00 30.32 O ATOM 1000 CB TRP A 59 -1.966 -2.961 1.653 1.00 30.13 C ATOM 1001 CG TRP A 59 -1.985 -1.536 1.146 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.233 -1.102 -0.132 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.741 -0.350 1.921 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.164 0.267 -0.191 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.863 0.751 1.053 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.432 -0.113 3.267 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.691 2.063 1.486 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.261 1.189 3.693 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.392 2.262 2.805 1.00 20.34 C ATOM 0 H TRP A 59 -3.820 -4.382 0.624 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.171 -3.599 -0.242 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.910 -3.163 2.158 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.178 -3.054 2.400 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.451 -1.746 -0.971 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.313 0.832 -1.027 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.329 -0.935 3.960 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.790 2.894 0.804 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -1.022 1.382 4.728 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.254 3.269 3.169 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.672 -6.061 1.934 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.046 -7.224 2.588 1.00 11.50 C ATOM 1022 C GLU A 60 -0.528 -8.237 1.562 1.00 31.21 C ATOM 1023 O GLU A 60 0.524 -8.851 1.761 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.032 -7.921 3.545 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.575 -7.020 4.643 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.242 -7.797 5.760 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.593 -8.009 6.805 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.414 -8.194 5.589 1.00 23.02 O ATOM 0 H GLU A 60 -2.674 -5.976 2.106 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.200 -6.846 3.161 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.868 -8.313 2.966 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.534 -8.775 4.004 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.760 -6.425 5.056 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.293 -6.322 4.213 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.284 -8.396 0.469 1.00 13.22 N ATOM 1036 CA GLU A 61 -0.924 -9.319 -0.614 1.00 4.04 C ATOM 1037 C GLU A 61 0.046 -8.675 -1.613 1.00 23.14 C ATOM 1038 O GLU A 61 0.826 -9.378 -2.258 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.181 -9.795 -1.351 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.029 -10.776 -0.553 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.259 -11.234 -1.312 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -4.169 -12.253 -2.029 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -5.312 -10.574 -1.190 1.00 21.23 O ATOM 0 H GLU A 61 -2.157 -7.892 0.311 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.423 -10.173 -0.158 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.790 -8.928 -1.608 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -1.885 -10.265 -2.289 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.424 -11.644 -0.291 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.337 -10.308 0.382 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.011 -7.337 -1.723 1.00 2.32 N ATOM 1051 CA GLY A 62 0.849 -6.605 -2.652 1.00 34.53 C ATOM 1052 C GLY A 62 2.203 -6.220 -2.069 1.00 41.44 C ATOM 1053 O GLY A 62 3.232 -6.407 -2.724 1.00 71.54 O ATOM 0 H GLY A 62 -0.642 -6.748 -1.180 1.00 2.32 H new ATOM 0 HA2 GLY A 62 1.008 -7.215 -3.542 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.333 -5.700 -2.973 1.00 34.53 H new ATOM 1057 N VAL A 63 2.202 -5.681 -0.837 1.00 13.21 N ATOM 1058 CA VAL A 63 3.439 -5.252 -0.151 1.00 21.10 C ATOM 1059 C VAL A 63 4.383 -6.442 0.121 1.00 62.21 C ATOM 1060 O VAL A 63 5.601 -6.270 0.228 1.00 10.30 O ATOM 1061 CB VAL A 63 3.105 -4.493 1.176 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.839 -5.439 2.353 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.209 -3.501 1.522 1.00 1.13 C ATOM 0 H VAL A 63 1.354 -5.530 -0.291 1.00 13.21 H new ATOM 0 HA VAL A 63 3.961 -4.566 -0.818 1.00 21.10 H new ATOM 0 HB VAL A 63 2.179 -3.946 0.998 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.613 -4.855 3.245 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.992 -6.084 2.117 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.722 -6.052 2.534 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.957 -2.984 2.448 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.151 -4.035 1.649 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.310 -2.774 0.717 1.00 1.13 H new ATOM 1073 N ALA A 64 3.789 -7.635 0.226 1.00 31.45 N ATOM 1074 CA ALA A 64 4.528 -8.878 0.473 1.00 31.03 C ATOM 1075 C ALA A 64 5.260 -9.363 -0.785 1.00 33.41 C ATOM 1076 O ALA A 64 6.034 -10.324 -0.735 1.00 20.51 O ATOM 1077 CB ALA A 64 3.570 -9.948 0.975 1.00 31.20 C ATOM 0 H ALA A 64 2.781 -7.767 0.142 1.00 31.45 H new ATOM 0 HA ALA A 64 5.285 -8.680 1.232 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.120 -10.871 1.158 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.104 -9.613 1.902 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.799 -10.127 0.225 1.00 31.20 H new ATOM 1083 N GLN A 65 5.007 -8.675 -1.905 1.00 10.14 N ATOM 1084 CA GLN A 65 5.620 -9.005 -3.194 1.00 4.44 C ATOM 1085 C GLN A 65 6.883 -8.164 -3.442 1.00 1.34 C ATOM 1086 O GLN A 65 7.570 -8.351 -4.452 1.00 54.10 O ATOM 1087 CB GLN A 65 4.606 -8.780 -4.328 1.00 23.01 C ATOM 1088 CG GLN A 65 3.249 -9.441 -4.087 1.00 41.22 C ATOM 1089 CD GLN A 65 2.299 -9.341 -5.270 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.703 -9.456 -6.430 1.00 10.20 O ATOM 1091 NE2 GLN A 65 1.021 -9.110 -4.979 1.00 4.02 N ATOM 0 H GLN A 65 4.373 -7.877 -1.942 1.00 10.14 H new ATOM 0 HA GLN A 65 5.913 -10.055 -3.172 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.458 -7.708 -4.462 1.00 23.01 H new ATOM 0 HB3 GLN A 65 5.025 -9.163 -5.258 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.405 -10.493 -3.846 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.781 -8.981 -3.217 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.727 -9.021 -4.006 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.335 -9.022 -5.729 1.00 4.02 H new ATOM 1100 N MET A 66 7.183 -7.248 -2.508 1.00 51.30 N ATOM 1101 CA MET A 66 8.352 -6.370 -2.617 1.00 45.42 C ATOM 1102 C MET A 66 9.382 -6.700 -1.534 1.00 14.24 C ATOM 1103 O MET A 66 9.041 -7.287 -0.502 1.00 42.21 O ATOM 1104 CB MET A 66 7.956 -4.881 -2.509 1.00 54.20 C ATOM 1105 CG MET A 66 6.455 -4.589 -2.512 1.00 71.10 C ATOM 1106 SD MET A 66 6.067 -2.887 -2.993 1.00 71.25 S ATOM 1107 CE MET A 66 7.097 -1.938 -1.870 1.00 23.31 C ATOM 0 H MET A 66 6.627 -7.098 -1.666 1.00 51.30 H new ATOM 0 HA MET A 66 8.791 -6.542 -3.600 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.384 -4.477 -1.592 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.413 -4.342 -3.339 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.958 -5.277 -3.196 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.051 -4.781 -1.518 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.903 -0.874 -2.009 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.867 -2.217 -0.842 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.147 -2.145 -2.076 1.00 23.31 H new ATOM 1117 N SER A 67 10.640 -6.312 -1.780 1.00 4.44 N ATOM 1118 CA SER A 67 11.735 -6.549 -0.836 1.00 50.24 C ATOM 1119 C SER A 67 12.304 -5.229 -0.330 1.00 5.23 C ATOM 1120 O SER A 67 12.246 -4.220 -1.031 1.00 51.25 O ATOM 1121 CB SER A 67 12.842 -7.370 -1.494 1.00 21.11 C ATOM 1122 OG SER A 67 13.137 -6.884 -2.793 1.00 40.45 O ATOM 0 H SER A 67 10.924 -5.829 -2.632 1.00 4.44 H new ATOM 0 HA SER A 67 11.335 -7.108 0.010 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.740 -7.335 -0.877 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.537 -8.415 -1.554 1.00 21.11 H new ATOM 0 HG SER A 67 12.572 -7.342 -3.450 1.00 40.45 H new ATOM 1128 N VAL A 68 12.834 -5.247 0.905 1.00 33.02 N ATOM 1129 CA VAL A 68 13.433 -4.061 1.558 1.00 53.10 C ATOM 1130 C VAL A 68 14.265 -3.212 0.575 1.00 12.43 C ATOM 1131 O VAL A 68 15.244 -3.692 -0.003 1.00 21.20 O ATOM 1132 CB VAL A 68 14.317 -4.478 2.776 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.135 -3.310 3.320 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.462 -5.073 3.891 1.00 13.21 C ATOM 0 H VAL A 68 12.861 -6.086 1.484 1.00 33.02 H new ATOM 0 HA VAL A 68 12.604 -3.448 1.911 1.00 53.10 H new ATOM 0 HB VAL A 68 15.013 -5.235 2.414 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.734 -3.648 4.166 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.793 -2.931 2.538 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.463 -2.516 3.645 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.101 -5.356 4.728 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.733 -4.334 4.224 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.941 -5.955 3.519 1.00 13.21 H new ATOM 1144 N GLY A 69 13.842 -1.955 0.405 1.00 54.02 N ATOM 1145 CA GLY A 69 14.521 -1.031 -0.493 1.00 71.34 C ATOM 1146 C GLY A 69 13.893 -0.974 -1.880 1.00 5.22 C ATOM 1147 O GLY A 69 14.415 -0.290 -2.765 1.00 23.21 O ATOM 0 H GLY A 69 13.031 -1.559 0.881 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.509 -0.033 -0.054 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.566 -1.326 -0.586 1.00 71.34 H new ATOM 1151 N GLN A 70 12.775 -1.692 -2.066 1.00 55.02 N ATOM 1152 CA GLN A 70 12.080 -1.732 -3.354 1.00 4.10 C ATOM 1153 C GLN A 70 10.932 -0.728 -3.398 1.00 65.14 C ATOM 1154 O GLN A 70 10.272 -0.473 -2.387 1.00 64.15 O ATOM 1155 CB GLN A 70 11.541 -3.142 -3.634 1.00 54.10 C ATOM 1156 CG GLN A 70 11.340 -3.443 -5.115 1.00 53.24 C ATOM 1157 CD GLN A 70 10.623 -4.755 -5.363 1.00 75.44 C ATOM 1158 OE1 GLN A 70 11.239 -5.821 -5.376 1.00 62.23 O ATOM 1159 NE2 GLN A 70 9.316 -4.680 -5.586 1.00 4.25 N ATOM 0 H GLN A 70 12.335 -2.253 -1.336 1.00 55.02 H new ATOM 0 HA GLN A 70 12.804 -1.464 -4.124 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.231 -3.874 -3.215 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.590 -3.267 -3.116 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.770 -2.633 -5.570 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.311 -3.467 -5.610 1.00 53.24 H new ATOM 0 HE21 GLN A 70 8.846 -3.775 -5.565 1.00 4.25 H new ATOM 0 HE22 GLN A 70 8.782 -5.528 -5.778 1.00 4.25 H new ATOM 1168 N ARG A 71 10.715 -0.170 -4.589 1.00 33.42 N ATOM 1169 CA ARG A 71 9.640 0.790 -4.824 1.00 34.40 C ATOM 1170 C ARG A 71 8.753 0.291 -5.971 1.00 60.34 C ATOM 1171 O ARG A 71 9.174 0.278 -7.134 1.00 3.51 O ATOM 1172 CB ARG A 71 10.224 2.178 -5.140 1.00 73.14 C ATOM 1173 CG ARG A 71 9.265 3.338 -4.885 1.00 14.30 C ATOM 1174 CD ARG A 71 9.015 4.134 -6.155 1.00 71.52 C ATOM 1175 NE ARG A 71 8.024 5.196 -5.952 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.979 6.342 -6.647 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.867 6.602 -7.606 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.036 7.234 -6.378 1.00 42.24 N ATOM 0 H ARG A 71 11.279 -0.371 -5.415 1.00 33.42 H new ATOM 0 HA ARG A 71 9.030 0.882 -3.925 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.122 2.326 -4.540 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.532 2.200 -6.185 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.320 2.954 -4.501 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.678 3.993 -4.118 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.952 4.573 -6.498 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.671 3.463 -6.942 1.00 71.52 H new ATOM 0 HE ARG A 71 7.318 5.053 -5.230 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.597 5.924 -7.822 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.816 7.479 -8.124 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.351 7.047 -5.646 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.996 8.108 -6.903 1.00 42.24 H new ATOM 1192 N ALA A 72 7.532 -0.133 -5.627 1.00 5.10 N ATOM 1193 CA ALA A 72 6.582 -0.654 -6.612 1.00 53.23 C ATOM 1194 C ALA A 72 5.197 -0.023 -6.458 1.00 61.04 C ATOM 1195 O ALA A 72 4.851 0.473 -5.382 1.00 32.53 O ATOM 1196 CB ALA A 72 6.492 -2.171 -6.495 1.00 53.11 C ATOM 0 H ALA A 72 7.179 -0.125 -4.670 1.00 5.10 H new ATOM 0 HA ALA A 72 6.950 -0.389 -7.603 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.783 -2.551 -7.231 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.474 -2.609 -6.676 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.154 -2.439 -5.494 1.00 53.11 H new HETATM 1202 N MLY A 73 4.410 -0.051 -7.546 1.00 72.40 N HETATM 1203 CA MLY A 73 3.059 0.507 -7.551 1.00 10.44 C HETATM 1204 CB MLY A 73 2.849 1.371 -8.798 1.00 42.22 C HETATM 1205 CG MLY A 73 2.028 2.628 -8.547 1.00 32.23 C HETATM 1206 CD MLY A 73 1.857 3.450 -9.819 1.00 43.41 C HETATM 1207 CE MLY A 73 2.807 4.641 -9.850 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.720 5.318 -11.155 1.00 24.53 N HETATM 1209 CH1 MLY A 73 4.037 5.299 -11.810 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.291 6.712 -10.961 1.00 20.10 C HETATM 1211 C MLY A 73 2.019 -0.610 -7.500 1.00 30.22 C HETATM 1212 O MLY A 73 2.013 -1.500 -8.355 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.313 6.728 -10.479 1.00 20.10 H new HETATM 0 HH22 MLY A 73 3.014 7.231 -10.332 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.227 7.211 -11.928 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.763 5.815 -11.182 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.355 4.267 -11.958 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.970 5.800 -12.776 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.048 2.352 -8.157 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.515 3.235 -7.784 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.556 5.339 -9.051 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.829 4.307 -9.671 1.00 12.10 H new HETATM 0 HD3 MLY A 73 2.037 2.818 -10.688 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.828 3.803 -9.889 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.822 1.658 -9.197 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.354 0.773 -9.563 1.00 42.22 H new HETATM 0 HA MLY A 73 2.938 1.132 -6.666 1.00 10.44 H new HETATM 0 H MLY A 73 5.052 0.161 -8.309 1.00 72.40 H new ATOM 1229 N LEU A 74 1.146 -0.554 -6.490 1.00 74.52 N ATOM 1230 CA LEU A 74 0.099 -1.565 -6.310 1.00 74.33 C ATOM 1231 C LEU A 74 -1.258 -1.023 -6.744 1.00 30.42 C ATOM 1232 O LEU A 74 -1.627 0.103 -6.398 1.00 24.14 O ATOM 1233 CB LEU A 74 0.008 -2.034 -4.843 1.00 54.31 C ATOM 1234 CG LEU A 74 1.277 -1.872 -3.999 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.224 -0.559 -3.234 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.450 -3.050 -3.047 1.00 45.42 C ATOM 0 H LEU A 74 1.143 0.182 -5.783 1.00 74.52 H new ATOM 0 HA LEU A 74 0.369 -2.416 -6.934 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.798 -1.484 -4.357 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.275 -3.087 -4.837 1.00 54.31 H new ATOM 0 HG LEU A 74 2.141 -1.855 -4.664 1.00 51.21 H new ATOM 0 HD11 LEU A 74 2.129 -0.450 -2.636 1.00 53.33 H new ATOM 0 HD12 LEU A 74 1.152 0.270 -3.938 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.353 -0.555 -2.579 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.357 -2.912 -2.459 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.590 -3.108 -2.380 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.526 -3.973 -3.621 1.00 45.42 H new ATOM 1248 N THR A 75 -1.989 -1.840 -7.505 1.00 22.43 N ATOM 1249 CA THR A 75 -3.319 -1.487 -7.990 1.00 34.30 C ATOM 1250 C THR A 75 -4.374 -2.164 -7.115 1.00 11.12 C ATOM 1251 O THR A 75 -4.495 -3.394 -7.112 1.00 0.33 O ATOM 1252 CB THR A 75 -3.512 -1.906 -9.472 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.348 -1.562 -10.235 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.733 -1.230 -10.093 1.00 22.41 C ATOM 0 H THR A 75 -1.673 -2.764 -7.801 1.00 22.43 H new ATOM 0 HA THR A 75 -3.429 -0.404 -7.933 1.00 34.30 H new ATOM 0 HB THR A 75 -3.667 -2.985 -9.490 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.608 -2.155 -9.988 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.836 -1.547 -11.131 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.627 -1.512 -9.537 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.608 -0.148 -10.055 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.123 -1.351 -6.374 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.163 -1.859 -5.482 1.00 1.42 C ATOM 1264 C ILE A 76 -7.542 -1.624 -6.091 1.00 60.35 C ATOM 1265 O ILE A 76 -7.851 -0.522 -6.546 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.091 -1.208 -4.060 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.617 -1.022 -3.584 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.906 -2.016 -3.039 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.820 -2.301 -3.334 1.00 11.52 C ATOM 0 H ILE A 76 -5.029 -0.335 -6.374 1.00 31.12 H new ATOM 0 HA ILE A 76 -5.993 -2.929 -5.364 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.535 -0.215 -4.134 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.088 -0.430 -4.331 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.626 -0.439 -2.663 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.838 -1.540 -2.061 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -7.949 -2.052 -3.353 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.510 -3.030 -2.978 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.812 -2.044 -3.008 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.312 -2.891 -2.561 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.766 -2.882 -4.255 1.00 11.52 H new ATOM 1281 N SER A 77 -8.354 -2.681 -6.089 1.00 11.11 N ATOM 1282 CA SER A 77 -9.713 -2.631 -6.627 1.00 42.11 C ATOM 1283 C SER A 77 -10.731 -2.377 -5.507 1.00 43.15 C ATOM 1284 O SER A 77 -10.403 -2.569 -4.334 1.00 74.23 O ATOM 1285 CB SER A 77 -10.044 -3.943 -7.361 1.00 53.42 C ATOM 1286 OG SER A 77 -9.314 -5.039 -6.835 1.00 32.12 O ATOM 0 H SER A 77 -8.089 -3.593 -5.716 1.00 11.11 H new ATOM 0 HA SER A 77 -9.771 -1.806 -7.337 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.112 -4.145 -7.280 1.00 53.42 H new ATOM 0 HB3 SER A 77 -9.820 -3.833 -8.422 1.00 53.42 H new ATOM 0 HG SER A 77 -8.455 -5.114 -7.301 1.00 32.12 H new ATOM 1292 N PRO A 78 -11.991 -1.940 -5.837 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.030 -1.677 -4.817 1.00 50.11 C ATOM 1294 C PRO A 78 -13.435 -2.936 -4.033 1.00 62.43 C ATOM 1295 O PRO A 78 -14.075 -2.839 -2.989 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.218 -1.132 -5.626 1.00 32.31 C ATOM 1297 CG PRO A 78 -13.981 -1.572 -7.030 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.494 -1.662 -7.204 1.00 55.53 C ATOM 0 HA PRO A 78 -12.670 -0.985 -4.056 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.163 -1.522 -5.247 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.272 -0.045 -5.559 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.453 -2.536 -7.219 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.412 -0.863 -7.737 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.220 -2.456 -7.899 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.081 -0.734 -7.601 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.045 -4.109 -4.554 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.333 -5.396 -3.912 1.00 63.51 C ATOM 1308 C ASP A 79 -12.228 -5.763 -2.915 1.00 41.14 C ATOM 1309 O ASP A 79 -12.476 -6.468 -1.933 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.460 -6.491 -4.972 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.455 -7.569 -4.583 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.650 -7.424 -4.917 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -14.039 -8.559 -3.944 1.00 45.33 O ATOM 0 H ASP A 79 -12.524 -4.190 -5.427 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.274 -5.308 -3.370 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.767 -6.043 -5.917 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -12.483 -6.946 -5.137 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.012 -5.272 -3.188 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.847 -5.524 -2.329 1.00 53.15 C ATOM 1320 C TYR A 80 -9.591 -4.354 -1.376 1.00 65.53 C ATOM 1321 O TYR A 80 -8.898 -4.513 -0.367 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.591 -5.773 -3.179 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.349 -7.232 -3.516 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.262 -7.915 -2.978 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.206 -7.930 -4.362 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.040 -9.245 -3.274 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -8.988 -9.259 -4.661 1.00 30.14 C ATOM 1328 CZ TYR A 80 -7.905 -9.913 -4.115 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.685 -11.239 -4.411 1.00 73.03 O ATOM 0 H TYR A 80 -10.809 -4.694 -4.003 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.067 -6.413 -1.738 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.675 -5.206 -4.106 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.722 -5.386 -2.646 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.582 -7.396 -2.319 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.057 -7.422 -4.792 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.192 -9.761 -2.848 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.663 -9.784 -5.320 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.386 -11.560 -5.016 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.155 -3.183 -1.707 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.982 -1.972 -0.904 1.00 1.04 C ATOM 1341 C ALA A 81 -11.000 -1.868 0.243 1.00 31.52 C ATOM 1342 O ALA A 81 -10.614 -1.907 1.413 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.048 -0.743 -1.804 1.00 23.45 C ATOM 0 H ALA A 81 -10.739 -3.053 -2.533 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.999 -2.027 -0.435 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.919 0.156 -1.202 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.256 -0.796 -2.551 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.016 -0.709 -2.303 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.294 -1.745 -0.089 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.340 -1.610 0.932 1.00 21.22 C ATOM 1351 C TYR A 82 -14.517 -2.550 0.662 1.00 64.31 C ATOM 1352 O TYR A 82 -14.911 -3.324 1.539 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.828 -0.151 1.003 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.742 0.851 1.354 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.898 1.367 0.374 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.564 1.281 2.663 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.909 2.280 0.691 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.578 2.194 2.987 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.754 2.690 1.999 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.772 3.599 2.319 1.00 54.35 O ATOM 0 H TYR A 82 -12.638 -1.736 -1.049 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.906 -1.890 1.892 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.262 0.122 0.041 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.624 -0.081 1.744 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.018 1.049 -0.651 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.207 0.895 3.441 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.262 2.670 -0.081 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.454 2.518 4.010 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.797 3.783 3.281 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.067 -2.471 -0.555 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.195 -3.305 -0.940 1.00 10.01 C ATOM 1372 C GLY A 83 -17.062 -2.635 -1.987 1.00 71.34 C ATOM 1373 O GLY A 83 -16.546 -1.972 -2.892 1.00 23.23 O ATOM 0 H GLY A 83 -14.744 -1.836 -1.285 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.828 -4.256 -1.327 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.797 -3.530 -0.060 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.379 -2.808 -1.861 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.336 -2.212 -2.796 1.00 33.53 C ATOM 1379 C ALA A 84 -19.884 -0.882 -2.270 1.00 20.43 C ATOM 1380 O ALA A 84 -20.546 -0.143 -3.007 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.471 -3.186 -3.077 1.00 43.40 C ATOM 0 H ALA A 84 -18.809 -3.358 -1.117 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.810 -2.003 -3.728 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.176 -2.732 -3.773 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.067 -4.099 -3.514 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.984 -3.425 -2.146 1.00 43.40 H new ATOM 1387 N THR A 85 -19.598 -0.585 -0.995 1.00 42.23 N ATOM 1388 CA THR A 85 -20.051 0.651 -0.358 1.00 52.23 C ATOM 1389 C THR A 85 -18.916 1.685 -0.328 1.00 53.03 C ATOM 1390 O THR A 85 -19.049 2.772 -0.898 1.00 62.14 O ATOM 1391 CB THR A 85 -20.571 0.383 1.082 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.326 -0.835 1.114 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.451 1.525 1.585 1.00 23.54 C ATOM 0 H THR A 85 -19.051 -1.191 -0.384 1.00 42.23 H new ATOM 0 HA THR A 85 -20.877 1.049 -0.948 1.00 52.23 H new ATOM 0 HB THR A 85 -19.700 0.303 1.733 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.648 -0.996 2.025 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.795 1.301 2.595 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.876 2.451 1.595 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.311 1.639 0.925 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.804 1.332 0.343 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.650 2.226 0.448 1.00 62.01 C ATOM 1403 C GLY A 86 -16.882 3.398 1.389 1.00 41.14 C ATOM 1404 O GLY A 86 -17.868 3.417 2.134 1.00 62.55 O ATOM 0 H GLY A 86 -17.686 0.436 0.817 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.788 1.656 0.794 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.403 2.608 -0.543 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.968 4.374 1.350 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.066 5.569 2.187 1.00 52.22 C ATOM 1410 C HIS A 87 -16.706 6.719 1.386 1.00 53.50 C ATOM 1411 O HIS A 87 -16.203 7.067 0.314 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.678 5.979 2.700 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.709 6.799 3.958 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.316 6.327 5.191 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.091 8.089 4.156 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.469 7.319 6.079 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.936 8.410 5.501 1.00 2.31 N ATOM 0 H HIS A 87 -15.148 4.356 0.743 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.697 5.346 3.048 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.088 5.080 2.879 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.167 6.546 1.922 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.457 8.758 3.391 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.240 7.236 7.131 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.141 9.304 5.948 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.819 7.337 1.890 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.505 8.430 1.172 1.00 44.10 C ATOM 1427 C PRO A 88 -17.700 9.737 1.128 1.00 24.12 C ATOM 1428 O PRO A 88 -17.281 10.256 2.168 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.809 8.620 1.960 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.524 8.108 3.332 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.493 7.021 3.178 1.00 31.53 C ATOM 0 HA PRO A 88 -18.656 8.176 0.123 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.102 9.669 1.986 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.630 8.071 1.499 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.153 8.906 3.974 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.430 7.720 3.797 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.786 7.022 4.008 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.955 6.034 3.154 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.489 10.245 -0.092 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.752 11.485 -0.281 1.00 34.40 C ATOM 1441 C GLY A 89 -15.338 11.274 -0.797 1.00 12.22 C ATOM 1442 O GLY A 89 -14.894 11.997 -1.693 1.00 23.13 O ATOM 0 H GLY A 89 -17.819 9.814 -0.955 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.296 12.119 -0.981 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.709 12.021 0.667 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.634 10.286 -0.232 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.251 9.994 -0.626 1.00 12.54 C ATOM 1448 C ILE A 90 -13.175 8.774 -1.557 1.00 61.23 C ATOM 1449 O ILE A 90 -12.578 8.852 -2.635 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.325 9.767 0.608 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.640 10.777 1.724 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.851 9.883 0.204 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.415 10.237 3.119 1.00 60.20 C ATOM 0 H ILE A 90 -14.999 9.676 0.499 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.896 10.873 -1.165 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.512 8.761 0.985 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -12.022 11.664 1.584 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.678 11.095 1.631 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.220 9.722 1.078 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.621 9.133 -0.553 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.662 10.877 -0.201 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.659 11.007 3.851 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -13.053 9.368 3.280 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.371 9.946 3.232 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.782 7.657 -1.134 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.758 6.417 -1.912 1.00 30.21 C ATOM 1467 C ILE A 91 -15.162 6.075 -2.460 1.00 51.24 C ATOM 1468 O ILE A 91 -15.995 5.529 -1.727 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.205 5.217 -1.066 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.911 5.594 -0.286 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.970 3.973 -1.936 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.737 6.096 -1.128 1.00 2.32 C ATOM 0 H ILE A 91 -14.296 7.590 -0.255 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.085 6.581 -2.754 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.973 4.977 -0.331 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.163 6.363 0.444 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.581 4.719 0.274 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.587 3.162 -1.316 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.910 3.666 -2.394 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.246 4.206 -2.716 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.894 6.327 -0.476 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.444 5.325 -1.841 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.035 6.995 -1.668 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.453 6.393 -3.760 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.759 6.083 -4.377 1.00 52.13 C ATOM 1486 C PRO A 92 -16.953 4.569 -4.634 1.00 22.44 C ATOM 1487 O PRO A 92 -15.978 3.813 -4.580 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.724 6.865 -5.698 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.282 7.006 -6.028 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.558 7.101 -4.712 1.00 13.45 C ATOM 0 HA PRO A 92 -17.591 6.359 -3.729 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.258 6.333 -6.485 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.201 7.839 -5.592 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -14.929 6.151 -6.606 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.106 7.895 -6.634 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.576 6.631 -4.762 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.401 8.138 -4.416 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.208 4.105 -4.919 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.489 2.676 -5.172 1.00 52.41 C ATOM 1500 C PRO A 93 -18.029 2.203 -6.557 1.00 70.11 C ATOM 1501 O PRO A 93 -18.120 2.949 -7.535 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.016 2.596 -5.055 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.510 3.951 -5.437 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.444 4.927 -5.008 1.00 73.21 C ATOM 0 HA PRO A 93 -17.952 2.032 -4.476 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.422 1.829 -5.715 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.320 2.338 -4.041 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.684 4.013 -6.511 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.459 4.171 -4.947 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.332 5.737 -5.729 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.687 5.385 -4.049 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.532 0.948 -6.622 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.046 0.320 -7.877 1.00 45.34 C ATOM 1514 C HIS A 94 -15.937 1.160 -8.548 1.00 60.20 C ATOM 1515 O HIS A 94 -15.899 1.307 -9.777 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.214 0.069 -8.859 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.290 -0.819 -8.309 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.224 -2.195 -8.304 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.475 -0.499 -7.729 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.345 -2.658 -7.735 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.138 -1.669 -7.368 1.00 70.34 N ATOM 0 H HIS A 94 -17.455 0.339 -5.807 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.610 -0.642 -7.609 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.654 1.027 -9.137 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.819 -0.378 -9.771 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.845 0.504 -7.572 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.571 -3.705 -7.595 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.048 -1.746 -6.914 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.027 1.688 -7.720 1.00 4.51 N ATOM 1530 CA ALA A 95 -13.925 2.520 -8.200 1.00 71.05 C ATOM 1531 C ALA A 95 -12.572 1.947 -7.805 1.00 4.34 C ATOM 1532 O ALA A 95 -12.341 1.595 -6.645 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.075 3.940 -7.675 1.00 13.05 C ATOM 0 H ALA A 95 -15.036 1.551 -6.709 1.00 4.51 H new ATOM 0 HA ALA A 95 -13.968 2.534 -9.289 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.249 4.551 -8.038 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.018 4.359 -8.025 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.065 3.928 -6.585 1.00 13.05 H new ATOM 1539 N THR A 96 -11.688 1.864 -8.802 1.00 34.22 N ATOM 1540 CA THR A 96 -10.324 1.351 -8.632 1.00 13.14 C ATOM 1541 C THR A 96 -9.395 2.441 -8.076 1.00 22.22 C ATOM 1542 O THR A 96 -9.486 3.608 -8.468 1.00 73.11 O ATOM 1543 CB THR A 96 -9.775 0.823 -9.982 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.774 0.029 -10.636 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.514 -0.021 -9.800 1.00 64.35 C ATOM 0 H THR A 96 -11.899 2.153 -9.757 1.00 34.22 H new ATOM 0 HA THR A 96 -10.357 0.529 -7.917 1.00 13.14 H new ATOM 0 HB THR A 96 -9.519 1.692 -10.588 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.155 0.534 -11.385 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.166 -0.369 -10.772 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.737 0.582 -9.331 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.739 -0.879 -9.167 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.509 2.033 -7.163 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.559 2.942 -6.522 1.00 52.44 C ATOM 1555 C LEU A 97 -6.117 2.548 -6.850 1.00 25.12 C ATOM 1556 O LEU A 97 -5.837 1.386 -7.159 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.769 2.928 -4.999 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.210 3.168 -4.521 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.474 2.405 -3.234 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.480 4.652 -4.326 1.00 45.25 C ATOM 0 H LEU A 97 -8.431 1.066 -6.849 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.736 3.947 -6.905 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.434 1.965 -4.614 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.127 3.689 -4.556 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.889 2.800 -5.290 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.498 2.585 -2.908 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.330 1.338 -3.407 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.783 2.743 -2.462 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.506 4.794 -3.988 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.793 5.052 -3.580 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.334 5.176 -5.271 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.213 3.531 -6.775 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.787 3.318 -7.053 1.00 60.04 C ATOM 1574 C VAL A 98 -2.956 3.772 -5.849 1.00 55.00 C ATOM 1575 O VAL A 98 -3.136 4.885 -5.350 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.332 4.085 -8.339 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.851 3.858 -8.650 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.178 3.686 -9.544 1.00 72.32 C ATOM 0 H VAL A 98 -5.446 4.491 -6.522 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.629 2.254 -7.228 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.476 5.146 -8.137 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.580 4.409 -9.550 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.246 4.208 -7.814 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.671 2.795 -8.808 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.840 4.234 -10.423 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.076 2.616 -9.722 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.224 3.923 -9.349 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.055 2.899 -5.393 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.188 3.195 -4.252 1.00 43.43 C ATOM 1590 C PHE A 99 0.260 2.843 -4.568 1.00 54.24 C ATOM 1591 O PHE A 99 0.538 1.773 -5.116 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.636 2.412 -3.015 1.00 34.44 C ATOM 1593 CG PHE A 99 -2.943 2.863 -2.428 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -2.977 3.808 -1.415 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.136 2.325 -2.877 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.180 4.205 -0.861 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.340 2.720 -2.331 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.363 3.659 -1.322 1.00 42.42 C ATOM 0 H PHE A 99 -1.907 1.976 -5.800 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.262 4.263 -4.049 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.716 1.357 -3.278 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.863 2.492 -2.251 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.055 4.239 -1.055 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.125 1.586 -3.665 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.195 4.940 -0.070 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.264 2.294 -2.694 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.304 3.968 -0.892 1.00 42.42 H new ATOM 1608 N ASP A 100 1.174 3.752 -4.221 1.00 61.54 N ATOM 1609 CA ASP A 100 2.602 3.541 -4.449 1.00 40.34 C ATOM 1610 C ASP A 100 3.351 3.489 -3.112 1.00 51.50 C ATOM 1611 O ASP A 100 3.542 4.520 -2.455 1.00 33.42 O ATOM 1612 CB ASP A 100 3.165 4.651 -5.353 1.00 33.13 C ATOM 1613 CG ASP A 100 4.465 4.257 -6.035 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.443 4.007 -7.258 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.504 4.200 -5.344 1.00 62.02 O ATOM 0 H ASP A 100 0.948 4.643 -3.780 1.00 61.54 H new ATOM 0 HA ASP A 100 2.743 2.586 -4.955 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.425 4.905 -6.112 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.331 5.549 -4.757 1.00 33.13 H new ATOM 1620 N VAL A 101 3.754 2.277 -2.710 1.00 2.04 N ATOM 1621 CA VAL A 101 4.485 2.085 -1.454 1.00 60.42 C ATOM 1622 C VAL A 101 5.967 1.819 -1.717 1.00 12.12 C ATOM 1623 O VAL A 101 6.339 1.313 -2.780 1.00 50.32 O ATOM 1624 CB VAL A 101 3.892 0.943 -0.562 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.430 1.211 -0.223 1.00 31.41 C ATOM 1626 CG2 VAL A 101 4.039 -0.441 -1.201 1.00 41.23 C ATOM 0 H VAL A 101 3.586 1.419 -3.235 1.00 2.04 H new ATOM 0 HA VAL A 101 4.374 3.017 -0.900 1.00 60.42 H new ATOM 0 HB VAL A 101 4.475 0.941 0.359 1.00 11.15 H new ATOM 0 HG11 VAL A 101 2.046 0.401 0.397 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.349 2.153 0.319 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.848 1.271 -1.143 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.611 -1.194 -0.540 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.516 -0.458 -2.157 1.00 41.23 H new ATOM 0 HG23 VAL A 101 5.095 -0.657 -1.362 1.00 41.23 H new ATOM 1636 N GLU A 102 6.794 2.167 -0.734 1.00 33.11 N ATOM 1637 CA GLU A 102 8.240 1.964 -0.822 1.00 1.22 C ATOM 1638 C GLU A 102 8.752 1.288 0.447 1.00 51.22 C ATOM 1639 O GLU A 102 8.550 1.802 1.552 1.00 12.21 O ATOM 1640 CB GLU A 102 8.983 3.296 -1.080 1.00 41.11 C ATOM 1641 CG GLU A 102 8.634 4.437 -0.123 1.00 34.12 C ATOM 1642 CD GLU A 102 9.410 5.706 -0.421 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.514 5.871 0.137 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.912 6.533 -1.213 1.00 41.33 O ATOM 0 H GLU A 102 6.485 2.594 0.139 1.00 33.11 H new ATOM 0 HA GLU A 102 8.442 1.311 -1.671 1.00 1.22 H new ATOM 0 HB2 GLU A 102 10.056 3.111 -1.023 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.770 3.620 -2.099 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.566 4.645 -0.186 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.838 4.123 0.901 1.00 34.12 H new ATOM 1651 N LEU A 103 9.418 0.138 0.279 1.00 24.24 N ATOM 1652 CA LEU A 103 9.960 -0.623 1.410 1.00 4.34 C ATOM 1653 C LEU A 103 11.198 0.076 1.988 1.00 3.51 C ATOM 1654 O LEU A 103 12.289 0.024 1.410 1.00 64.00 O ATOM 1655 CB LEU A 103 10.291 -2.062 0.973 1.00 3.14 C ATOM 1656 CG LEU A 103 9.627 -3.180 1.801 1.00 43.24 C ATOM 1657 CD1 LEU A 103 9.529 -4.467 1.009 1.00 32.51 C ATOM 1658 CD2 LEU A 103 10.358 -3.427 3.118 1.00 21.32 C ATOM 0 H LEU A 103 9.594 -0.286 -0.632 1.00 24.24 H new ATOM 0 HA LEU A 103 9.205 -0.669 2.195 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.996 -2.183 -0.069 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.372 -2.196 1.016 1.00 3.14 H new ATOM 0 HG LEU A 103 8.619 -2.838 2.036 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.056 -5.236 1.621 1.00 32.51 H new ATOM 0 HD12 LEU A 103 8.932 -4.298 0.113 1.00 32.51 H new ATOM 0 HD13 LEU A 103 10.528 -4.795 0.723 1.00 32.51 H new ATOM 0 HD21 LEU A 103 9.856 -4.222 3.669 1.00 21.32 H new ATOM 0 HD22 LEU A 103 11.387 -3.721 2.913 1.00 21.32 H new ATOM 0 HD23 LEU A 103 10.353 -2.514 3.714 1.00 21.32 H new ATOM 1670 N LEU A 104 10.997 0.756 3.124 1.00 4.14 N ATOM 1671 CA LEU A 104 12.065 1.498 3.797 1.00 44.13 C ATOM 1672 C LEU A 104 12.824 0.610 4.789 1.00 0.54 C ATOM 1673 O LEU A 104 14.046 0.471 4.689 1.00 14.41 O ATOM 1674 CB LEU A 104 11.472 2.730 4.513 1.00 71.51 C ATOM 1675 CG LEU A 104 10.549 3.613 3.654 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.559 4.367 4.526 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.359 4.588 2.810 1.00 62.23 C ATOM 0 H LEU A 104 10.095 0.806 3.598 1.00 4.14 H new ATOM 0 HA LEU A 104 12.779 1.831 3.044 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.912 2.388 5.384 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.293 3.344 4.883 1.00 71.51 H new ATOM 0 HG LEU A 104 9.992 2.959 2.983 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.917 4.984 3.898 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.947 3.656 5.081 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.101 5.003 5.226 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.684 5.200 2.212 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.950 5.231 3.463 1.00 62.23 H new ATOM 0 HD23 LEU A 104 12.025 4.032 2.150 1.00 62.23 H new HETATM 1689 N MLY A 105 12.088 0.014 5.744 1.00 1.45 N HETATM 1690 CA MLY A 105 12.672 -0.866 6.769 1.00 43.20 C HETATM 1691 CB MLY A 105 13.517 -0.056 7.789 1.00 74.32 C HETATM 1692 CG MLY A 105 12.744 0.998 8.585 1.00 22.12 C HETATM 1693 CD MLY A 105 13.669 2.017 9.244 1.00 71.52 C HETATM 1694 CE MLY A 105 13.802 1.766 10.740 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.696 2.772 11.338 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.851 2.101 11.955 1.00 41.55 C HETATM 1697 CH2 MLY A 105 13.968 3.531 12.366 1.00 22.51 C HETATM 1698 C MLY A 105 11.576 -1.680 7.477 1.00 74.02 C HETATM 1699 O MLY A 105 10.382 -1.431 7.279 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.113 4.031 11.912 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.619 2.850 13.142 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.631 4.275 12.807 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.504 1.419 12.731 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.395 1.540 11.195 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.512 2.847 12.397 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.051 1.515 7.922 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.145 0.505 9.351 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.821 1.810 11.214 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.196 0.765 10.916 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.653 1.971 8.778 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.283 3.022 9.076 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.977 -0.753 8.490 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.327 0.439 7.254 1.00 74.32 H new HETATM 0 HA MLY A 105 13.342 -1.566 6.270 1.00 43.20 H new ATOM 1716 N LEU A 106 12.000 -2.646 8.298 1.00 51.44 N ATOM 1717 CA LEU A 106 11.072 -3.503 9.042 1.00 50.34 C ATOM 1718 C LEU A 106 11.342 -3.418 10.541 1.00 15.14 C ATOM 1719 O LEU A 106 12.491 -3.248 10.961 1.00 24.35 O ATOM 1720 CB LEU A 106 11.187 -4.965 8.576 1.00 64.41 C ATOM 1721 CG LEU A 106 11.101 -5.202 7.057 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.702 -6.553 6.698 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.660 -5.121 6.568 1.00 3.23 C ATOM 0 H LEU A 106 12.985 -2.854 8.464 1.00 51.44 H new ATOM 0 HA LEU A 106 10.060 -3.149 8.845 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.137 -5.365 8.932 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.398 -5.542 9.058 1.00 64.41 H new ATOM 0 HG LEU A 106 11.672 -4.417 6.561 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.634 -6.707 5.621 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.748 -6.578 7.003 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.155 -7.343 7.212 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.631 -5.292 5.492 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.061 -5.879 7.073 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.256 -4.133 6.789 1.00 3.23 H new ATOM 1735 N GLU A 107 10.275 -3.538 11.340 1.00 12.24 N ATOM 1736 CA GLU A 107 10.388 -3.478 12.799 1.00 25.05 C ATOM 1737 C GLU A 107 9.750 -4.704 13.443 1.00 14.04 C ATOM 1738 O GLU A 107 10.441 -5.650 13.821 1.00 15.01 O ATOM 1739 CB GLU A 107 9.733 -2.204 13.347 1.00 65.53 C ATOM 1740 CG GLU A 107 10.444 -0.917 12.953 1.00 41.44 C ATOM 1741 CD GLU A 107 9.900 0.297 13.684 1.00 62.30 C ATOM 1742 OE1 GLU A 107 10.505 0.697 14.701 1.00 0.45 O ATOM 1743 OE2 GLU A 107 8.870 0.847 13.240 1.00 25.40 O ATOM 0 H GLU A 107 9.324 -3.677 10.999 1.00 12.24 H new ATOM 0 HA GLU A 107 11.449 -3.461 13.048 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.702 -2.159 12.995 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.696 -2.267 14.435 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.509 -1.016 13.163 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.343 -0.765 11.878 1.00 41.44 H new TER 1750 GLU A 107