USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 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 25 HIS : no HD1:sc= -1.62 X(o=-0.096,f=0.2) USER MOD Set 1.2: A 39 SER OG : rot -71:sc= 1.53 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -1.71! F(o=-2.4,f=-1.7!) 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+ -152:sc= -0.0497 (180deg=-0.46) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc=-2.46e-05 F(o=-1.6,f=-2.5e-05) USER MOD Single : A 21 THR OG1 : rot -82:sc= 1.43 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.135 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0416 USER MOD Single : A 29 MET CE :methyl -169:sc= 0 (180deg=-0.0854) USER MOD Single : A 38 SER OG : rot -150:sc= -0.386 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -143:sc= 0 (180deg=-0.057) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.148 K(o=0.15,f=-1.3) USER MOD Single : A 66 MET CE :methyl 177:sc= -2.94! (180deg=-3.02!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.486 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.627 F(o=-1.5,f=-0.63) USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.833 USER MOD Single : A 77 SER OG : rot -88:sc= 1.01 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= -0.196 X(o=-0.2,f=-0.005) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 98:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -7.033 -10.197 -18.465 1.00 23.20 N ATOM 2 CA GLY A -3 -5.799 -9.532 -18.089 1.00 43.12 C ATOM 3 C GLY A -3 -5.611 -9.451 -16.576 1.00 10.33 C ATOM 4 O GLY A -3 -4.667 -10.053 -16.056 1.00 34.23 O ATOM 0 H1 GLY A -3 -6.916 -10.645 -19.397 1.00 23.20 H new ATOM 0 H2 GLY A -3 -7.265 -10.924 -17.758 1.00 23.20 H new ATOM 0 H3 GLY A -3 -7.803 -9.500 -18.510 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -4.956 -10.065 -18.528 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -5.792 -8.525 -18.506 1.00 43.12 H new ATOM 8 N PRO A -2 -6.492 -8.714 -15.824 1.00 43.42 N ATOM 9 CA PRO A -2 -6.382 -8.586 -14.357 1.00 72.12 C ATOM 10 C PRO A -2 -6.841 -9.843 -13.617 1.00 24.33 C ATOM 11 O PRO A -2 -7.877 -10.426 -13.953 1.00 1.42 O ATOM 12 CB PRO A -2 -7.310 -7.404 -14.015 1.00 65.32 C ATOM 13 CG PRO A -2 -7.737 -6.823 -15.324 1.00 23.11 C ATOM 14 CD PRO A -2 -7.646 -7.937 -16.323 1.00 3.14 C ATOM 0 HA PRO A -2 -5.346 -8.436 -14.052 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -8.171 -7.739 -13.437 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -6.789 -6.662 -13.410 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -8.754 -6.435 -15.265 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -7.094 -5.990 -15.609 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -8.557 -8.534 -16.350 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -7.479 -7.564 -17.334 1.00 3.14 H new ATOM 22 N SER A -1 -6.058 -10.247 -12.611 1.00 54.30 N ATOM 23 CA SER A -1 -6.365 -11.432 -11.809 1.00 74.21 C ATOM 24 C SER A -1 -6.328 -11.106 -10.319 1.00 44.31 C ATOM 25 O SER A -1 -5.540 -10.263 -9.882 1.00 24.24 O ATOM 26 CB SER A -1 -5.373 -12.555 -12.120 1.00 35.31 C ATOM 27 OG SER A -1 -5.428 -12.920 -13.488 1.00 34.24 O ATOM 0 H SER A -1 -5.202 -9.766 -12.333 1.00 54.30 H new ATOM 0 HA SER A -1 -7.371 -11.762 -12.066 1.00 74.21 H new ATOM 0 HB2 SER A -1 -4.363 -12.233 -11.867 1.00 35.31 H new ATOM 0 HB3 SER A -1 -5.596 -13.423 -11.500 1.00 35.31 H new ATOM 0 HG SER A -1 -4.784 -13.638 -13.661 1.00 34.24 H new ATOM 33 N MET A 0 -7.199 -11.792 -9.546 1.00 71.24 N ATOM 34 CA MET A 0 -7.326 -11.628 -8.072 1.00 20.33 C ATOM 35 C MET A 0 -7.964 -10.287 -7.682 1.00 73.21 C ATOM 36 O MET A 0 -8.898 -10.257 -6.875 1.00 22.03 O ATOM 37 CB MET A 0 -5.974 -11.804 -7.345 1.00 31.50 C ATOM 38 CG MET A 0 -5.451 -13.233 -7.352 1.00 40.30 C ATOM 39 SD MET A 0 -6.529 -14.374 -6.463 1.00 23.03 S ATOM 40 CE MET A 0 -5.633 -15.912 -6.663 1.00 60.20 C ATOM 0 H MET A 0 -7.843 -12.484 -9.928 1.00 71.24 H new ATOM 0 HA MET A 0 -7.995 -12.425 -7.746 1.00 20.33 H new ATOM 0 HB2 MET A 0 -5.234 -11.155 -7.813 1.00 31.50 H new ATOM 0 HB3 MET A 0 -6.082 -11.472 -6.312 1.00 31.50 H new ATOM 0 HG2 MET A 0 -5.343 -13.571 -8.383 1.00 40.30 H new ATOM 0 HG3 MET A 0 -4.458 -13.254 -6.904 1.00 40.30 H new ATOM 0 HE1 MET A 0 -6.175 -16.716 -6.166 1.00 60.20 H new ATOM 0 HE2 MET A 0 -5.536 -16.141 -7.724 1.00 60.20 H new ATOM 0 HE3 MET A 0 -4.641 -15.816 -6.221 1.00 60.20 H new ATOM 50 N GLY A 1 -7.457 -9.190 -8.259 1.00 60.01 N ATOM 51 CA GLY A 1 -7.981 -7.863 -7.962 1.00 13.55 C ATOM 52 C GLY A 1 -6.891 -6.853 -7.637 1.00 3.14 C ATOM 53 O GLY A 1 -7.107 -5.644 -7.769 1.00 44.31 O ATOM 0 H GLY A 1 -6.689 -9.201 -8.930 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.557 -7.506 -8.816 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.669 -7.930 -7.120 1.00 13.55 H new ATOM 57 N VAL A 2 -5.724 -7.352 -7.214 1.00 52.34 N ATOM 58 CA VAL A 2 -4.586 -6.499 -6.865 1.00 33.20 C ATOM 59 C VAL A 2 -3.403 -6.764 -7.816 1.00 63.10 C ATOM 60 O VAL A 2 -2.936 -7.901 -7.937 1.00 55.34 O ATOM 61 CB VAL A 2 -4.186 -6.677 -5.355 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.738 -8.103 -5.021 1.00 32.31 C ATOM 63 CG2 VAL A 2 -3.120 -5.667 -4.929 1.00 64.22 C ATOM 0 H VAL A 2 -5.544 -8.350 -7.105 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.880 -5.457 -6.991 1.00 33.20 H new ATOM 0 HB VAL A 2 -5.093 -6.483 -4.783 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.475 -8.164 -3.965 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.550 -8.799 -5.233 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.870 -8.363 -5.627 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.870 -5.822 -3.879 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.226 -5.802 -5.538 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.502 -4.655 -5.065 1.00 64.22 H new ATOM 73 N GLN A 3 -2.943 -5.702 -8.486 1.00 54.51 N ATOM 74 CA GLN A 3 -1.826 -5.800 -9.430 1.00 12.04 C ATOM 75 C GLN A 3 -0.684 -4.870 -9.027 1.00 65.23 C ATOM 76 O GLN A 3 -0.860 -3.650 -8.959 1.00 65.11 O ATOM 77 CB GLN A 3 -2.287 -5.468 -10.857 1.00 73.14 C ATOM 78 CG GLN A 3 -3.251 -6.487 -11.453 1.00 31.23 C ATOM 79 CD GLN A 3 -4.690 -6.011 -11.420 1.00 1.13 C ATOM 80 OE1 GLN A 3 -5.371 -6.262 -10.310 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -5.180 -5.414 -12.379 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.329 -4.762 -8.391 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.464 -6.828 -9.406 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.766 -4.489 -10.854 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.411 -5.392 -11.502 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.964 -6.695 -12.484 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -3.169 -7.425 -10.904 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.619 -5.242 -13.214 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -6.147 -5.091 -12.339 1.00 15.44 H new ATOM 90 N VAL A 4 0.485 -5.459 -8.768 1.00 15.11 N ATOM 91 CA VAL A 4 1.667 -4.699 -8.367 1.00 21.25 C ATOM 92 C VAL A 4 2.712 -4.668 -9.495 1.00 0.04 C ATOM 93 O VAL A 4 2.946 -5.678 -10.167 1.00 62.43 O ATOM 94 CB VAL A 4 2.261 -5.256 -7.029 1.00 41.33 C ATOM 95 CG1 VAL A 4 2.805 -6.675 -7.179 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.330 -4.330 -6.458 1.00 13.43 C ATOM 0 H VAL A 4 0.637 -6.466 -8.830 1.00 15.11 H new ATOM 0 HA VAL A 4 1.366 -3.668 -8.182 1.00 21.25 H new ATOM 0 HB VAL A 4 1.432 -5.297 -6.322 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.205 -7.014 -6.223 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.002 -7.341 -7.493 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.597 -6.684 -7.928 1.00 50.31 H new ATOM 0 HG21 VAL A 4 3.718 -4.751 -5.530 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.143 -4.226 -7.177 1.00 13.43 H new ATOM 0 HG23 VAL A 4 2.894 -3.351 -6.258 1.00 13.43 H new ATOM 106 N GLU A 5 3.325 -3.495 -9.680 1.00 43.11 N ATOM 107 CA GLU A 5 4.343 -3.293 -10.719 1.00 1.02 C ATOM 108 C GLU A 5 5.627 -2.755 -10.102 1.00 74.44 C ATOM 109 O GLU A 5 5.614 -1.711 -9.445 1.00 42.12 O ATOM 110 CB GLU A 5 3.857 -2.314 -11.810 1.00 22.54 C ATOM 111 CG GLU A 5 2.344 -2.218 -11.961 1.00 62.44 C ATOM 112 CD GLU A 5 1.927 -1.324 -13.112 1.00 45.30 C ATOM 113 OE1 GLU A 5 1.785 -1.838 -14.241 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.741 -0.110 -12.884 1.00 20.43 O ATOM 0 H GLU A 5 3.133 -2.664 -9.120 1.00 43.11 H new ATOM 0 HA GLU A 5 4.531 -4.262 -11.182 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.249 -1.322 -11.587 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.284 -2.618 -12.766 1.00 22.54 H new ATOM 0 HG2 GLU A 5 1.934 -3.216 -12.115 1.00 62.44 H new ATOM 0 HG3 GLU A 5 1.914 -1.836 -11.035 1.00 62.44 H new ATOM 121 N THR A 6 6.738 -3.467 -10.331 1.00 42.11 N ATOM 122 CA THR A 6 8.047 -3.072 -9.800 1.00 74.15 C ATOM 123 C THR A 6 8.655 -1.940 -10.631 1.00 12.12 C ATOM 124 O THR A 6 8.783 -2.049 -11.854 1.00 51.21 O ATOM 125 CB THR A 6 9.023 -4.279 -9.752 1.00 0.24 C ATOM 126 OG1 THR A 6 8.351 -5.429 -9.224 1.00 2.23 O ATOM 127 CG2 THR A 6 10.258 -3.987 -8.894 1.00 50.35 C ATOM 0 H THR A 6 6.755 -4.324 -10.884 1.00 42.11 H new ATOM 0 HA THR A 6 7.892 -2.715 -8.782 1.00 74.15 H new ATOM 0 HB THR A 6 9.354 -4.467 -10.773 1.00 0.24 H new ATOM 0 HG1 THR A 6 8.971 -6.187 -9.198 1.00 2.23 H new ATOM 0 HG21 THR A 6 10.912 -4.859 -8.889 1.00 50.35 H new ATOM 0 HG22 THR A 6 10.795 -3.133 -9.307 1.00 50.35 H new ATOM 0 HG23 THR A 6 9.947 -3.761 -7.874 1.00 50.35 H new ATOM 135 N ILE A 7 9.020 -0.863 -9.937 1.00 11.44 N ATOM 136 CA ILE A 7 9.609 0.318 -10.572 1.00 72.43 C ATOM 137 C ILE A 7 11.094 0.428 -10.217 1.00 45.55 C ATOM 138 O ILE A 7 11.916 0.781 -11.069 1.00 31.04 O ATOM 139 CB ILE A 7 8.869 1.629 -10.167 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.361 1.356 -9.985 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.100 2.718 -11.223 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.610 2.404 -9.178 1.00 14.43 C ATOM 0 H ILE A 7 8.917 -0.783 -8.925 1.00 11.44 H new ATOM 0 HA ILE A 7 9.500 0.194 -11.649 1.00 72.43 H new ATOM 0 HB ILE A 7 9.272 1.981 -9.217 1.00 21.20 H new ATOM 0 HG12 ILE A 7 6.900 1.278 -10.970 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.239 0.388 -9.499 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.578 3.628 -10.928 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.167 2.923 -11.307 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.719 2.378 -12.186 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.559 2.123 -9.106 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.038 2.468 -8.178 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.694 3.372 -9.671 1.00 14.43 H new ATOM 154 N SER A 8 11.421 0.123 -8.956 1.00 5.12 N ATOM 155 CA SER A 8 12.796 0.176 -8.473 1.00 32.42 C ATOM 156 C SER A 8 13.144 -1.104 -7.705 1.00 21.20 C ATOM 157 O SER A 8 12.506 -1.407 -6.693 1.00 31.34 O ATOM 158 CB SER A 8 13.001 1.399 -7.576 1.00 74.32 C ATOM 159 OG SER A 8 14.379 1.642 -7.343 1.00 64.33 O ATOM 0 H SER A 8 10.743 -0.165 -8.251 1.00 5.12 H new ATOM 0 HA SER A 8 13.459 0.258 -9.334 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.549 2.274 -8.042 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.491 1.245 -6.625 1.00 74.32 H new ATOM 0 HG SER A 8 14.480 2.430 -6.769 1.00 64.33 H new ATOM 165 N PRO A 9 14.162 -1.884 -8.176 1.00 51.01 N ATOM 166 CA PRO A 9 14.575 -3.139 -7.515 1.00 23.32 C ATOM 167 C PRO A 9 15.301 -2.913 -6.181 1.00 51.21 C ATOM 168 O PRO A 9 16.236 -2.110 -6.102 1.00 32.12 O ATOM 169 CB PRO A 9 15.508 -3.787 -8.545 1.00 21.35 C ATOM 170 CG PRO A 9 16.056 -2.653 -9.340 1.00 44.13 C ATOM 171 CD PRO A 9 14.972 -1.620 -9.395 1.00 61.42 C ATOM 0 HA PRO A 9 13.716 -3.754 -7.247 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.305 -4.348 -8.057 1.00 21.35 H new ATOM 0 HB3 PRO A 9 14.967 -4.489 -9.180 1.00 21.35 H new ATOM 0 HG2 PRO A 9 16.955 -2.250 -8.874 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.335 -2.979 -10.342 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.382 -0.610 -9.391 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.374 -1.717 -10.301 1.00 61.42 H new ATOM 179 N GLY A 10 14.850 -3.630 -5.145 1.00 11.52 N ATOM 180 CA GLY A 10 15.448 -3.516 -3.822 1.00 4.35 C ATOM 181 C GLY A 10 16.438 -4.631 -3.543 1.00 44.33 C ATOM 182 O GLY A 10 17.414 -4.790 -4.282 1.00 23.33 O ATOM 0 H GLY A 10 14.076 -4.291 -5.203 1.00 11.52 H new ATOM 0 HA2 GLY A 10 15.953 -2.554 -3.735 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.662 -3.533 -3.067 1.00 4.35 H new ATOM 186 N ASP A 11 16.188 -5.405 -2.475 1.00 12.02 N ATOM 187 CA ASP A 11 17.057 -6.527 -2.104 1.00 21.40 C ATOM 188 C ASP A 11 16.692 -7.790 -2.894 1.00 61.45 C ATOM 189 O ASP A 11 17.573 -8.472 -3.425 1.00 53.40 O ATOM 190 CB ASP A 11 16.970 -6.798 -0.598 1.00 15.33 C ATOM 191 CG ASP A 11 17.726 -5.771 0.223 1.00 54.04 C ATOM 192 OD1 ASP A 11 18.974 -5.788 0.191 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.070 -4.952 0.900 1.00 3.25 O ATOM 0 H ASP A 11 15.390 -5.272 -1.854 1.00 12.02 H new ATOM 0 HA ASP A 11 18.083 -6.255 -2.352 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.924 -6.803 -0.293 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.368 -7.791 -0.387 1.00 15.33 H new ATOM 198 N GLY A 12 15.385 -8.086 -2.959 1.00 11.03 N ATOM 199 CA GLY A 12 14.896 -9.253 -3.693 1.00 21.20 C ATOM 200 C GLY A 12 14.898 -10.536 -2.872 1.00 63.51 C ATOM 201 O GLY A 12 14.485 -11.589 -3.367 1.00 45.41 O ATOM 0 H GLY A 12 14.654 -7.533 -2.512 1.00 11.03 H new ATOM 0 HA2 GLY A 12 13.882 -9.055 -4.039 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.513 -9.398 -4.580 1.00 21.20 H new ATOM 205 N ARG A 13 15.362 -10.444 -1.620 1.00 44.41 N ATOM 206 CA ARG A 13 15.432 -11.601 -0.718 1.00 43.15 C ATOM 207 C ARG A 13 14.946 -11.253 0.699 1.00 71.41 C ATOM 208 O ARG A 13 14.939 -12.113 1.588 1.00 75.24 O ATOM 209 CB ARG A 13 16.864 -12.176 -0.679 1.00 13.14 C ATOM 210 CG ARG A 13 17.965 -11.159 -0.388 1.00 22.33 C ATOM 211 CD ARG A 13 19.338 -11.784 -0.544 1.00 60.10 C ATOM 212 NE ARG A 13 19.762 -11.847 -1.948 1.00 42.52 N ATOM 213 CZ ARG A 13 20.946 -12.316 -2.368 1.00 33.40 C ATOM 214 NH1 ARG A 13 21.852 -12.774 -1.505 1.00 20.42 N ATOM 215 NH2 ARG A 13 21.224 -12.325 -3.664 1.00 61.14 N ATOM 0 H ARG A 13 15.697 -9.574 -1.206 1.00 44.41 H new ATOM 0 HA ARG A 13 14.761 -12.364 -1.113 1.00 43.15 H new ATOM 0 HB2 ARG A 13 16.904 -12.958 0.079 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.074 -12.651 -1.637 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.869 -10.310 -1.065 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.850 -10.773 0.625 1.00 22.33 H new ATOM 0 HD2 ARG A 13 20.065 -11.207 0.028 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.327 -12.790 -0.124 1.00 60.10 H new ATOM 0 HE ARG A 13 19.109 -11.510 -2.655 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.651 -12.772 -0.505 1.00 20.42 H new ATOM 0 HH12 ARG A 13 22.747 -13.127 -1.844 1.00 20.42 H new ATOM 0 HH21 ARG A 13 20.539 -11.977 -4.335 1.00 61.14 H new ATOM 0 HH22 ARG A 13 22.123 -12.680 -3.990 1.00 61.14 H new ATOM 229 N THR A 14 14.530 -9.996 0.894 1.00 42.14 N ATOM 230 CA THR A 14 14.056 -9.530 2.190 1.00 3.41 C ATOM 231 C THR A 14 12.621 -8.999 2.074 1.00 32.20 C ATOM 232 O THR A 14 12.399 -7.829 1.745 1.00 15.22 O ATOM 233 CB THR A 14 14.995 -8.437 2.763 1.00 43.13 C ATOM 234 OG1 THR A 14 16.362 -8.762 2.475 1.00 71.40 O ATOM 235 CG2 THR A 14 14.829 -8.286 4.270 1.00 52.24 C ATOM 0 H THR A 14 14.515 -9.285 0.163 1.00 42.14 H new ATOM 0 HA THR A 14 14.061 -10.375 2.879 1.00 3.41 H new ATOM 0 HB THR A 14 14.725 -7.494 2.288 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.948 -8.066 2.839 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.503 -7.511 4.634 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.800 -8.007 4.497 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.065 -9.231 4.759 1.00 52.24 H new ATOM 243 N PHE A 15 11.658 -9.886 2.327 1.00 33.20 N ATOM 244 CA PHE A 15 10.238 -9.536 2.262 1.00 11.33 C ATOM 245 C PHE A 15 9.650 -9.370 3.668 1.00 41.44 C ATOM 246 O PHE A 15 10.111 -10.026 4.606 1.00 72.11 O ATOM 247 CB PHE A 15 9.456 -10.611 1.501 1.00 23.11 C ATOM 248 CG PHE A 15 9.858 -10.760 0.058 1.00 12.42 C ATOM 249 CD1 PHE A 15 10.985 -11.490 -0.291 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.109 -10.169 -0.945 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.356 -11.626 -1.613 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.476 -10.303 -2.271 1.00 12.41 C ATOM 253 CZ PHE A 15 10.601 -11.032 -2.606 1.00 50.43 C ATOM 0 H PHE A 15 11.837 -10.858 2.580 1.00 33.20 H new ATOM 0 HA PHE A 15 10.152 -8.587 1.732 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.591 -11.568 2.005 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.393 -10.373 1.548 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.579 -11.957 0.481 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.229 -9.597 -0.689 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.236 -12.196 -1.871 1.00 21.24 H new ATOM 0 HE2 PHE A 15 8.884 -9.838 -3.045 1.00 12.41 H new ATOM 0 HZ PHE A 15 10.889 -11.137 -3.641 1.00 50.43 H new ATOM 263 N PRO A 16 8.615 -8.490 3.840 1.00 13.34 N ATOM 264 CA PRO A 16 7.975 -8.266 5.151 1.00 31.25 C ATOM 265 C PRO A 16 7.253 -9.511 5.675 1.00 31.31 C ATOM 266 O PRO A 16 6.443 -10.118 4.967 1.00 15.10 O ATOM 267 CB PRO A 16 6.980 -7.121 4.906 1.00 64.23 C ATOM 268 CG PRO A 16 6.813 -7.013 3.425 1.00 2.14 C ATOM 269 CD PRO A 16 8.021 -7.640 2.782 1.00 35.24 C ATOM 0 HA PRO A 16 8.716 -8.029 5.914 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.025 -7.327 5.390 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.354 -6.186 5.323 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.903 -7.520 3.105 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.719 -5.969 3.126 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.743 -8.231 1.910 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.726 -6.882 2.441 1.00 35.24 H new HETATM 277 N MLY A 17 7.567 -9.874 6.923 1.00 65.54 N HETATM 278 CA MLY A 17 6.987 -11.054 7.574 1.00 1.40 C HETATM 279 CB MLY A 17 8.013 -11.694 8.524 1.00 3.13 C HETATM 280 CG MLY A 17 9.329 -12.076 7.857 1.00 4.51 C HETATM 281 CD MLY A 17 10.290 -12.718 8.849 1.00 62.24 C HETATM 282 CE MLY A 17 11.749 -12.514 8.449 1.00 72.30 C HETATM 283 NZ MLY A 17 12.123 -13.476 7.396 1.00 51.13 N HETATM 284 CH1 MLY A 17 13.230 -14.321 7.871 1.00 21.43 C HETATM 285 CH2 MLY A 17 12.547 -12.747 6.191 1.00 4.23 C HETATM 286 C MLY A 17 5.714 -10.701 8.344 1.00 62.13 C HETATM 287 O MLY A 17 5.498 -9.542 8.710 1.00 41.31 O HETATM 0 HH23 MLY A 17 11.727 -12.122 5.836 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.405 -12.119 6.429 1.00 4.23 H new HETATM 0 HH21 MLY A 17 12.823 -13.459 5.413 1.00 4.23 H new HETATM 0 HH13 MLY A 17 14.089 -13.694 8.111 1.00 21.43 H new HETATM 0 HH12 MLY A 17 12.917 -14.864 8.763 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.506 -15.032 7.092 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.135 -12.767 7.037 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.790 -11.188 7.424 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.897 -11.495 8.091 1.00 72.30 H new HETATM 0 HE2 MLY A 17 12.394 -12.644 9.318 1.00 72.30 H new HETATM 0 HD3 MLY A 17 10.124 -12.295 9.840 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.079 -13.785 8.918 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.220 -11.000 9.339 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.572 -12.586 8.969 1.00 3.13 H new HETATM 0 HA MLY A 17 6.722 -11.767 6.793 1.00 1.40 H new HETATM 0 H MLY A 17 8.525 -9.594 7.134 1.00 65.54 H new ATOM 304 N ARG A 18 4.879 -11.723 8.582 1.00 75.42 N ATOM 305 CA ARG A 18 3.613 -11.571 9.304 1.00 34.53 C ATOM 306 C ARG A 18 3.847 -11.463 10.819 1.00 50.25 C ATOM 307 O ARG A 18 4.498 -12.327 11.416 1.00 2.04 O ATOM 308 CB ARG A 18 2.704 -12.766 8.976 1.00 61.11 C ATOM 309 CG ARG A 18 1.234 -12.574 9.338 1.00 12.50 C ATOM 310 CD ARG A 18 0.421 -13.822 9.028 1.00 23.10 C ATOM 311 NE ARG A 18 -0.971 -13.700 9.475 1.00 72.31 N ATOM 312 CZ ARG A 18 -1.948 -14.568 9.173 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.709 -15.640 8.419 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.174 -14.358 9.631 1.00 35.44 N ATOM 0 H ARG A 18 5.065 -12.679 8.278 1.00 75.42 H new ATOM 0 HA ARG A 18 3.129 -10.648 8.986 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.776 -12.976 7.909 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.080 -13.645 9.500 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.147 -12.334 10.398 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.829 -11.727 8.785 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.441 -14.010 7.954 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.882 -14.684 9.511 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.213 -12.898 10.057 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.770 -15.812 8.060 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.465 -16.289 8.200 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.369 -13.541 10.209 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -3.922 -15.014 9.405 1.00 35.44 H new ATOM 328 N GLY A 19 3.312 -10.393 11.421 1.00 24.02 N ATOM 329 CA GLY A 19 3.459 -10.176 12.855 1.00 64.12 C ATOM 330 C GLY A 19 4.318 -8.967 13.194 1.00 64.12 C ATOM 331 O GLY A 19 4.154 -8.372 14.264 1.00 0.22 O ATOM 0 H GLY A 19 2.778 -9.672 10.936 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.472 -10.048 13.299 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.900 -11.065 13.307 1.00 64.12 H new ATOM 335 N GLN A 20 5.230 -8.607 12.284 1.00 1.30 N ATOM 336 CA GLN A 20 6.128 -7.465 12.482 1.00 31.02 C ATOM 337 C GLN A 20 5.632 -6.240 11.709 1.00 45.43 C ATOM 338 O GLN A 20 4.844 -6.369 10.767 1.00 32.11 O ATOM 339 CB GLN A 20 7.577 -7.815 12.078 1.00 72.14 C ATOM 340 CG GLN A 20 7.706 -8.683 10.826 1.00 0.44 C ATOM 341 CD GLN A 20 8.828 -8.230 9.918 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.506 -7.336 8.992 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.968 -8.675 10.046 1.00 33.54 N flip ATOM 0 H GLN A 20 5.366 -9.094 11.398 1.00 1.30 H new ATOM 0 HA GLN A 20 6.126 -7.223 13.545 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.128 -6.888 11.918 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.056 -8.331 12.910 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.878 -9.718 11.122 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.766 -8.661 10.275 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.169 -9.362 10.773 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.712 -8.357 9.425 1.00 33.54 H new ATOM 352 N THR A 21 6.107 -5.054 12.118 1.00 41.53 N ATOM 353 CA THR A 21 5.717 -3.790 11.485 1.00 5.30 C ATOM 354 C THR A 21 6.526 -3.526 10.213 1.00 73.13 C ATOM 355 O THR A 21 7.709 -3.872 10.134 1.00 42.40 O ATOM 356 CB THR A 21 5.884 -2.588 12.445 1.00 62.42 C ATOM 357 OG1 THR A 21 5.872 -3.029 13.811 1.00 0.54 O ATOM 358 CG2 THR A 21 4.770 -1.568 12.241 1.00 71.14 C ATOM 0 H THR A 21 6.766 -4.946 12.889 1.00 41.53 H new ATOM 0 HA THR A 21 4.663 -3.892 11.227 1.00 5.30 H new ATOM 0 HB THR A 21 6.842 -2.119 12.222 1.00 62.42 H new ATOM 0 HG1 THR A 21 4.946 -3.147 14.109 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.911 -0.733 12.928 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.795 -1.202 11.215 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.806 -2.038 12.434 1.00 71.14 H new ATOM 366 N CYS A 22 5.865 -2.910 9.229 1.00 42.51 N ATOM 367 CA CYS A 22 6.484 -2.582 7.951 1.00 32.11 C ATOM 368 C CYS A 22 6.443 -1.076 7.713 1.00 1.42 C ATOM 369 O CYS A 22 5.364 -0.482 7.595 1.00 21.41 O ATOM 370 CB CYS A 22 5.776 -3.321 6.810 1.00 52.32 C ATOM 371 SG CYS A 22 6.591 -3.157 5.204 1.00 70.12 S ATOM 0 H CYS A 22 4.888 -2.627 9.300 1.00 42.51 H new ATOM 0 HA CYS A 22 7.526 -2.902 7.978 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.708 -4.379 7.064 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.756 -2.947 6.727 1.00 52.32 H new ATOM 0 HG CYS A 22 5.920 -3.817 4.307 1.00 70.12 H new ATOM 377 N VAL A 23 7.630 -0.468 7.658 1.00 22.12 N ATOM 378 CA VAL A 23 7.767 0.976 7.430 1.00 41.54 C ATOM 379 C VAL A 23 7.858 1.256 5.928 1.00 42.33 C ATOM 380 O VAL A 23 8.855 0.912 5.283 1.00 53.12 O ATOM 381 CB VAL A 23 9.015 1.568 8.152 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.995 3.094 8.139 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.136 1.036 9.578 1.00 4.23 C ATOM 0 H VAL A 23 8.518 -0.957 7.769 1.00 22.12 H new ATOM 0 HA VAL A 23 6.884 1.460 7.848 1.00 41.54 H new ATOM 0 HB VAL A 23 9.895 1.242 7.598 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.879 3.474 8.651 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.991 3.449 7.108 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.100 3.450 8.649 1.00 63.04 H new ATOM 0 HG21 VAL A 23 10.016 1.468 10.054 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.246 1.309 10.145 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.232 -0.049 9.554 1.00 4.23 H new ATOM 393 N VAL A 24 6.805 1.874 5.381 1.00 14.00 N ATOM 394 CA VAL A 24 6.747 2.192 3.951 1.00 22.54 C ATOM 395 C VAL A 24 5.968 3.483 3.696 1.00 24.45 C ATOM 396 O VAL A 24 5.072 3.843 4.465 1.00 4.04 O ATOM 397 CB VAL A 24 6.122 1.036 3.091 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.999 -0.207 3.104 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.717 0.660 3.550 1.00 42.42 C ATOM 0 H VAL A 24 5.981 2.164 5.908 1.00 14.00 H new ATOM 0 HA VAL A 24 7.783 2.322 3.639 1.00 22.54 H new ATOM 0 HB VAL A 24 6.059 1.424 2.075 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.535 -0.986 2.499 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.980 0.035 2.694 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.111 -0.562 4.128 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.332 -0.143 2.922 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.750 0.326 4.587 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.063 1.529 3.469 1.00 42.42 H new ATOM 409 N HIS A 25 6.326 4.160 2.607 1.00 54.10 N ATOM 410 CA HIS A 25 5.667 5.396 2.195 1.00 74.10 C ATOM 411 C HIS A 25 4.708 5.090 1.044 1.00 33.22 C ATOM 412 O HIS A 25 5.118 4.515 0.030 1.00 41.11 O ATOM 413 CB HIS A 25 6.721 6.419 1.765 1.00 2.24 C ATOM 414 CG HIS A 25 7.145 7.363 2.849 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.329 8.328 3.392 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.340 7.484 3.487 1.00 75.31 C ATOM 417 CE1 HIS A 25 7.037 8.990 4.319 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.262 8.516 4.414 1.00 4.31 N ATOM 0 H HIS A 25 7.080 3.867 1.986 1.00 54.10 H new ATOM 0 HA HIS A 25 5.100 5.814 3.026 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.599 5.886 1.400 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.328 6.998 0.929 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.212 6.874 3.302 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.652 9.807 4.911 1.00 31.32 H new ATOM 0 HE2 HIS A 25 9.001 8.839 5.039 1.00 4.31 H new ATOM 426 N TYR A 26 3.437 5.471 1.208 1.00 62.35 N ATOM 427 CA TYR A 26 2.418 5.205 0.190 1.00 21.44 C ATOM 428 C TYR A 26 1.837 6.485 -0.420 1.00 74.34 C ATOM 429 O TYR A 26 2.051 7.589 0.090 1.00 64.11 O ATOM 430 CB TYR A 26 1.301 4.322 0.783 1.00 4.12 C ATOM 431 CG TYR A 26 0.404 4.996 1.805 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.745 5.664 1.402 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.699 4.956 3.161 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.574 6.274 2.317 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.130 5.566 4.086 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.264 6.224 3.658 1.00 12.10 C ATOM 437 OH TYR A 26 -2.090 6.832 4.575 1.00 1.22 O ATOM 0 H TYR A 26 3.091 5.962 2.032 1.00 62.35 H new ATOM 0 HA TYR A 26 2.906 4.673 -0.626 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.679 3.956 -0.034 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.761 3.450 1.249 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.993 5.706 0.352 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.587 4.442 3.498 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.463 6.789 1.985 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.110 5.527 5.138 1.00 12.01 H new ATOM 0 HH TYR A 26 -1.729 6.703 5.477 1.00 1.22 H new ATOM 447 N THR A 27 1.097 6.301 -1.524 1.00 54.44 N ATOM 448 CA THR A 27 0.439 7.391 -2.238 1.00 13.54 C ATOM 449 C THR A 27 -0.851 6.874 -2.887 1.00 42.43 C ATOM 450 O THR A 27 -0.804 6.058 -3.815 1.00 34.01 O ATOM 451 CB THR A 27 1.364 8.009 -3.324 1.00 41.24 C ATOM 452 OG1 THR A 27 2.716 8.068 -2.850 1.00 5.33 O ATOM 453 CG2 THR A 27 0.912 9.413 -3.706 1.00 10.41 C ATOM 0 H THR A 27 0.941 5.385 -1.944 1.00 54.44 H new ATOM 0 HA THR A 27 0.205 8.174 -1.516 1.00 13.54 H new ATOM 0 HB THR A 27 1.306 7.370 -4.205 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.289 8.457 -3.543 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.580 9.816 -4.467 1.00 10.41 H new ATOM 0 HG22 THR A 27 -0.104 9.374 -4.099 1.00 10.41 H new ATOM 0 HG23 THR A 27 0.936 10.055 -2.826 1.00 10.41 H new ATOM 461 N GLY A 28 -1.995 7.350 -2.381 1.00 62.24 N ATOM 462 CA GLY A 28 -3.290 6.932 -2.909 1.00 22.33 C ATOM 463 C GLY A 28 -3.836 7.893 -3.951 1.00 23.41 C ATOM 464 O GLY A 28 -4.075 9.067 -3.656 1.00 74.50 O ATOM 0 H GLY A 28 -2.046 8.019 -1.613 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.195 5.940 -3.350 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -4.003 6.849 -2.088 1.00 22.33 H new ATOM 468 N MET A 29 -4.036 7.377 -5.167 1.00 72.23 N ATOM 469 CA MET A 29 -4.545 8.166 -6.292 1.00 35.31 C ATOM 470 C MET A 29 -5.709 7.464 -6.971 1.00 35.15 C ATOM 471 O MET A 29 -5.629 6.272 -7.283 1.00 40.34 O ATOM 472 CB MET A 29 -3.427 8.411 -7.311 1.00 63.22 C ATOM 473 CG MET A 29 -2.376 9.413 -6.859 1.00 23.45 C ATOM 474 SD MET A 29 -0.860 9.333 -7.842 1.00 60.11 S ATOM 475 CE MET A 29 -0.091 7.837 -7.209 1.00 24.43 C ATOM 0 H MET A 29 -3.850 6.401 -5.399 1.00 72.23 H new ATOM 0 HA MET A 29 -4.898 9.120 -5.901 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.937 7.462 -7.530 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.871 8.763 -8.242 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.790 10.419 -6.920 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.134 9.231 -5.812 1.00 23.45 H new ATOM 0 HE1 MET A 29 0.932 7.769 -7.579 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.082 7.866 -6.119 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.656 6.967 -7.544 1.00 24.43 H new ATOM 485 N LEU A 30 -6.796 8.221 -7.192 1.00 40.05 N ATOM 486 CA LEU A 30 -8.003 7.711 -7.864 1.00 32.04 C ATOM 487 C LEU A 30 -7.693 7.151 -9.261 1.00 0.41 C ATOM 488 O LEU A 30 -6.583 7.329 -9.775 1.00 4.33 O ATOM 489 CB LEU A 30 -9.044 8.838 -7.986 1.00 20.24 C ATOM 490 CG LEU A 30 -9.979 9.016 -6.786 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.588 10.408 -6.788 1.00 34.14 C ATOM 492 CD2 LEU A 30 -11.079 7.961 -6.794 1.00 0.13 C ATOM 0 H LEU A 30 -6.863 9.199 -6.911 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.397 6.896 -7.257 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.517 9.777 -8.154 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.652 8.651 -8.871 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.390 8.892 -5.877 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.250 10.517 -5.929 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.794 11.153 -6.731 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.158 10.554 -7.705 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.730 8.108 -5.932 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.663 8.051 -7.710 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.631 6.968 -6.745 1.00 0.13 H new ATOM 504 N GLU A 31 -8.688 6.477 -9.870 1.00 10.33 N ATOM 505 CA GLU A 31 -8.557 5.891 -11.211 1.00 40.43 C ATOM 506 C GLU A 31 -8.151 6.936 -12.263 1.00 13.34 C ATOM 507 O GLU A 31 -7.559 6.595 -13.291 1.00 3.22 O ATOM 508 CB GLU A 31 -9.880 5.240 -11.610 1.00 23.24 C ATOM 509 CG GLU A 31 -9.701 3.964 -12.403 1.00 62.31 C ATOM 510 CD GLU A 31 -11.018 3.311 -12.773 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.511 2.479 -11.983 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.557 3.633 -13.853 1.00 72.00 O ATOM 0 H GLU A 31 -9.602 6.326 -9.444 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.765 5.143 -11.173 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.457 5.023 -10.711 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.463 5.948 -12.200 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -9.141 4.183 -13.312 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -9.103 3.262 -11.822 1.00 62.31 H new ATOM 519 N ASP A 32 -8.480 8.202 -11.984 1.00 34.23 N ATOM 520 CA ASP A 32 -8.151 9.315 -12.873 1.00 2.24 C ATOM 521 C ASP A 32 -6.777 9.918 -12.531 1.00 23.33 C ATOM 522 O ASP A 32 -6.199 10.635 -13.354 1.00 53.30 O ATOM 523 CB ASP A 32 -9.236 10.394 -12.785 1.00 52.51 C ATOM 524 CG ASP A 32 -9.344 11.226 -14.052 1.00 32.21 C ATOM 525 OD1 ASP A 32 -8.655 12.264 -14.142 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.117 10.838 -14.953 1.00 44.13 O ATOM 0 H ASP A 32 -8.979 8.480 -11.139 1.00 34.23 H new ATOM 0 HA ASP A 32 -8.105 8.931 -13.892 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -10.197 9.921 -12.584 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -9.021 11.051 -11.942 1.00 52.51 H new ATOM 531 N GLY A 33 -6.263 9.626 -11.321 1.00 51.42 N ATOM 532 CA GLY A 33 -4.958 10.140 -10.921 1.00 4.22 C ATOM 533 C GLY A 33 -5.039 11.259 -9.899 1.00 24.43 C ATOM 534 O GLY A 33 -4.046 11.953 -9.664 1.00 35.01 O ATOM 0 H GLY A 33 -6.728 9.047 -10.622 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.365 9.324 -10.509 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.432 10.502 -11.804 1.00 4.22 H new HETATM 538 N MLY A 34 -6.220 11.435 -9.292 1.00 33.34 N HETATM 539 CA MLY A 34 -6.428 12.472 -8.283 1.00 10.41 C HETATM 540 CB MLY A 34 -7.860 13.014 -8.353 1.00 31.10 C HETATM 541 CG MLY A 34 -8.096 13.973 -9.511 1.00 32.53 C HETATM 542 CD MLY A 34 -8.037 15.422 -9.056 1.00 45.44 C HETATM 543 CE MLY A 34 -7.865 16.370 -10.234 1.00 24.42 C HETATM 544 NZ MLY A 34 -7.773 17.759 -9.751 1.00 25.53 N HETATM 545 CH1 MLY A 34 -8.869 18.555 -10.326 1.00 63.25 C HETATM 546 CH2 MLY A 34 -6.484 18.339 -10.158 1.00 35.50 C HETATM 547 C MLY A 34 -6.139 11.910 -6.896 1.00 13.44 C HETATM 548 O MLY A 34 -6.830 10.993 -6.435 1.00 42.22 O HETATM 0 HH23 MLY A 34 -5.670 17.753 -9.731 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -6.407 18.328 -11.245 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -6.418 19.366 -9.800 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -8.795 18.544 -11.413 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.826 18.129 -10.023 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -8.800 19.582 -9.968 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.347 13.803 -10.284 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -9.069 13.771 -9.960 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -6.966 16.110 -10.793 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -8.707 16.269 -10.919 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -8.950 15.672 -8.516 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.209 15.552 -8.359 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.552 12.176 -8.440 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.092 13.524 -7.418 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.743 13.296 -8.481 1.00 10.41 H new HETATM 0 H MLY A 34 -6.982 11.171 -9.917 1.00 33.34 H new HETATM 565 N MLY A 35 -5.105 12.454 -6.237 1.00 11.11 N HETATM 566 CA MLY A 35 -4.711 11.997 -4.906 1.00 61.33 C HETATM 567 CB MLY A 35 -3.414 12.647 -4.454 1.00 75.25 C HETATM 568 CG MLY A 35 -2.440 11.640 -3.886 1.00 53.41 C HETATM 569 CD MLY A 35 -1.411 12.298 -2.981 1.00 45.12 C HETATM 570 CE MLY A 35 -0.180 12.695 -3.768 1.00 62.43 C HETATM 571 NZ MLY A 35 0.789 13.400 -2.905 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.946 14.787 -3.372 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.094 12.721 -2.963 1.00 55.25 C HETATM 574 C MLY A 35 -5.774 12.248 -3.858 1.00 41.14 C HETATM 575 O MLY A 35 -6.517 13.232 -3.921 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.985 11.693 -2.617 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.459 12.722 -3.990 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.805 13.245 -2.325 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.309 14.786 -4.400 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.016 15.297 -3.328 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.661 15.307 -2.735 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.987 10.883 -3.324 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.931 11.126 -4.702 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.286 11.807 -4.196 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.467 13.337 -4.601 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.846 13.179 -2.508 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.132 11.612 -2.181 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.953 13.160 -5.298 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.632 13.404 -3.701 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.570 10.920 -5.000 1.00 61.33 H new HETATM 0 H MLY A 35 -4.526 13.129 -6.737 1.00 11.11 H new ATOM 592 N PHE A 36 -5.822 11.332 -2.900 1.00 13.53 N ATOM 593 CA PHE A 36 -6.767 11.402 -1.804 1.00 33.32 C ATOM 594 C PHE A 36 -6.081 11.136 -0.461 1.00 4.15 C ATOM 595 O PHE A 36 -6.657 11.435 0.589 1.00 61.44 O ATOM 596 CB PHE A 36 -7.940 10.423 -2.034 1.00 44.41 C ATOM 597 CG PHE A 36 -7.562 8.974 -2.256 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.551 8.437 -3.533 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.244 8.150 -1.185 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.233 7.108 -3.740 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.920 6.822 -1.386 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.916 6.299 -2.666 1.00 32.03 C ATOM 0 H PHE A 36 -5.205 10.521 -2.865 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.170 12.414 -1.771 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.606 10.476 -1.173 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.509 10.766 -2.898 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.794 9.065 -4.377 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.250 8.552 -0.183 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.232 6.702 -4.741 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.670 6.193 -0.544 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.666 5.261 -2.826 1.00 32.03 H new ATOM 612 N ASP A 37 -4.837 10.592 -0.496 1.00 71.54 N ATOM 613 CA ASP A 37 -4.096 10.267 0.736 1.00 12.22 C ATOM 614 C ASP A 37 -2.597 10.100 0.476 1.00 5.44 C ATOM 615 O ASP A 37 -2.167 9.154 -0.195 1.00 15.20 O ATOM 616 CB ASP A 37 -4.638 8.981 1.393 1.00 35.30 C ATOM 617 CG ASP A 37 -5.849 9.229 2.272 1.00 41.23 C ATOM 618 OD1 ASP A 37 -6.985 9.084 1.773 1.00 70.34 O ATOM 619 OD2 ASP A 37 -5.661 9.569 3.459 1.00 70.24 O ATOM 0 H ASP A 37 -4.336 10.374 -1.357 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.242 11.109 1.412 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -4.902 8.265 0.614 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -3.849 8.525 1.991 1.00 35.30 H new ATOM 624 N SER A 38 -1.817 11.045 1.003 1.00 35.14 N ATOM 625 CA SER A 38 -0.354 11.013 0.893 1.00 72.05 C ATOM 626 C SER A 38 0.293 10.883 2.272 1.00 61.33 C ATOM 627 O SER A 38 0.085 11.733 3.145 1.00 53.42 O ATOM 628 CB SER A 38 0.175 12.273 0.199 1.00 1.53 C ATOM 629 OG SER A 38 -0.561 13.424 0.581 1.00 1.21 O ATOM 0 H SER A 38 -2.177 11.850 1.515 1.00 35.14 H new ATOM 0 HA SER A 38 -0.092 10.142 0.292 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.227 12.413 0.449 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.118 12.145 -0.882 1.00 1.53 H new ATOM 0 HG SER A 38 -0.562 14.071 -0.155 1.00 1.21 H new ATOM 635 N SER A 39 1.070 9.804 2.464 1.00 34.10 N ATOM 636 CA SER A 39 1.769 9.554 3.736 1.00 3.40 C ATOM 637 C SER A 39 3.037 10.409 3.878 1.00 71.04 C ATOM 638 O SER A 39 3.374 10.850 4.980 1.00 14.42 O ATOM 639 CB SER A 39 2.138 8.075 3.851 1.00 71.12 C ATOM 640 OG SER A 39 2.899 7.652 2.734 1.00 65.25 O ATOM 0 H SER A 39 1.230 9.090 1.753 1.00 34.10 H new ATOM 0 HA SER A 39 1.086 9.832 4.539 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.706 7.909 4.766 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.231 7.475 3.925 1.00 71.12 H new ATOM 0 HG SER A 39 2.322 7.609 1.943 1.00 65.25 H new ATOM 646 N ARG A 40 3.726 10.634 2.750 1.00 52.53 N ATOM 647 CA ARG A 40 4.973 11.418 2.715 1.00 1.22 C ATOM 648 C ARG A 40 4.728 12.936 2.806 1.00 23.13 C ATOM 649 O ARG A 40 5.625 13.682 3.209 1.00 22.12 O ATOM 650 CB ARG A 40 5.780 11.087 1.447 1.00 50.10 C ATOM 651 CG ARG A 40 5.021 11.330 0.150 1.00 40.44 C ATOM 652 CD ARG A 40 5.958 11.649 -1.003 1.00 34.30 C ATOM 653 NE ARG A 40 5.235 11.823 -2.268 1.00 13.41 N ATOM 654 CZ ARG A 40 5.811 12.123 -3.441 1.00 54.32 C ATOM 655 NH1 ARG A 40 7.129 12.290 -3.539 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.058 12.256 -4.524 1.00 51.01 N ATOM 0 H ARG A 40 3.437 10.280 1.838 1.00 52.53 H new ATOM 0 HA ARG A 40 5.546 11.134 3.598 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.690 11.686 1.441 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.087 10.042 1.486 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.430 10.448 -0.096 1.00 40.44 H new ATOM 0 HG3 ARG A 40 4.321 12.154 0.288 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.515 12.558 -0.776 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.687 10.846 -1.110 1.00 34.30 H new ATOM 0 HE ARG A 40 4.222 11.707 -2.254 1.00 13.41 H new ATOM 0 HH11 ARG A 40 7.719 12.190 -2.713 1.00 24.54 H new ATOM 0 HH12 ARG A 40 7.549 12.518 -4.440 1.00 24.54 H new ATOM 0 HH21 ARG A 40 4.048 12.130 -4.461 1.00 51.01 H new ATOM 0 HH22 ARG A 40 5.489 12.484 -5.420 1.00 51.01 H new ATOM 670 N ASP A 41 3.515 13.384 2.424 1.00 23.13 N ATOM 671 CA ASP A 41 3.152 14.814 2.469 1.00 52.45 C ATOM 672 C ASP A 41 3.181 15.351 3.903 1.00 31.20 C ATOM 673 O ASP A 41 3.371 16.550 4.124 1.00 42.45 O ATOM 674 CB ASP A 41 1.769 15.038 1.854 1.00 64.34 C ATOM 675 CG ASP A 41 1.836 15.305 0.362 1.00 34.14 C ATOM 676 OD1 ASP A 41 1.481 16.427 -0.056 1.00 51.32 O ATOM 677 OD2 ASP A 41 2.247 14.395 -0.389 1.00 2.32 O ATOM 0 H ASP A 41 2.771 12.776 2.081 1.00 23.13 H new ATOM 0 HA ASP A 41 3.892 15.361 1.885 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.147 14.161 2.036 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.286 15.880 2.350 1.00 64.34 H new ATOM 682 N ARG A 42 2.990 14.438 4.862 1.00 55.15 N ATOM 683 CA ARG A 42 3.026 14.767 6.288 1.00 51.54 C ATOM 684 C ARG A 42 4.447 14.565 6.831 1.00 4.45 C ATOM 685 O ARG A 42 4.711 14.778 8.019 1.00 25.12 O ATOM 686 CB ARG A 42 2.035 13.889 7.071 1.00 71.30 C ATOM 687 CG ARG A 42 0.586 14.045 6.633 1.00 51.14 C ATOM 688 CD ARG A 42 -0.373 13.467 7.661 1.00 2.40 C ATOM 689 NE ARG A 42 -1.774 13.622 7.254 1.00 12.24 N ATOM 690 CZ ARG A 42 -2.831 13.313 8.020 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.672 12.825 9.249 1.00 24.54 N ATOM 692 NH2 ARG A 42 -4.057 13.495 7.548 1.00 13.42 N ATOM 0 H ARG A 42 2.807 13.453 4.670 1.00 55.15 H new ATOM 0 HA ARG A 42 2.737 15.810 6.413 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.326 12.844 6.961 1.00 71.30 H new ATOM 0 HB3 ARG A 42 2.111 14.131 8.131 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.363 15.101 6.479 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.439 13.546 5.675 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.153 12.410 7.808 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.217 13.961 8.620 1.00 2.40 H new ATOM 0 HE ARG A 42 -1.958 13.991 6.321 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.734 12.680 9.623 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.488 12.596 9.816 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.192 13.868 6.608 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -4.865 13.262 8.125 1.00 13.42 H new ATOM 706 N ASN A 43 5.365 14.160 5.920 1.00 54.33 N ATOM 707 CA ASN A 43 6.788 13.897 6.233 1.00 4.33 C ATOM 708 C ASN A 43 6.939 12.736 7.231 1.00 11.11 C ATOM 709 O ASN A 43 7.835 12.743 8.087 1.00 34.31 O ATOM 710 CB ASN A 43 7.491 15.170 6.757 1.00 24.02 C ATOM 711 CG ASN A 43 7.634 16.239 5.689 1.00 72.44 C ATOM 712 OD1 ASN A 43 8.629 16.281 4.966 1.00 40.11 O ATOM 713 ND2 ASN A 43 6.636 17.109 5.586 1.00 53.22 N ATOM 0 H ASN A 43 5.135 14.006 4.938 1.00 54.33 H new ATOM 0 HA ASN A 43 7.276 13.602 5.304 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.925 15.574 7.597 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.478 14.906 7.136 1.00 24.02 H new ATOM 0 HD21 ASN A 43 6.675 17.850 4.886 1.00 53.22 H new ATOM 0 HD22 ASN A 43 5.830 17.036 6.207 1.00 53.22 H new HETATM 720 N MLY A 44 6.064 11.721 7.096 1.00 34.54 N HETATM 721 CA MLY A 44 6.091 10.557 7.997 1.00 24.12 C HETATM 722 CB MLY A 44 5.185 10.787 9.212 1.00 25.45 C HETATM 723 CG MLY A 44 5.861 11.558 10.333 1.00 5.24 C HETATM 724 CD MLY A 44 4.873 11.935 11.425 1.00 1.13 C HETATM 725 CE MLY A 44 5.569 12.607 12.601 1.00 34.53 C HETATM 726 NZ MLY A 44 5.722 14.048 12.337 1.00 51.05 N HETATM 727 CH1 MLY A 44 7.150 14.402 12.339 1.00 12.22 C HETATM 728 CH2 MLY A 44 5.028 14.817 13.382 1.00 50.43 C HETATM 729 C MLY A 44 5.672 9.262 7.291 1.00 2.04 C HETATM 730 O MLY A 44 4.612 9.217 6.659 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.969 14.559 13.381 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.458 14.579 14.355 1.00 50.43 H new HETATM 0 HH21 MLY A 44 5.142 15.883 13.186 1.00 50.43 H new HETATM 0 HH13 MLY A 44 7.582 14.164 13.311 1.00 12.22 H new HETATM 0 HH12 MLY A 44 7.666 13.836 11.564 1.00 12.22 H new HETATM 0 HH11 MLY A 44 7.261 15.469 12.143 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.663 10.955 10.759 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.321 12.460 9.930 1.00 5.24 H new HETATM 0 HE3 MLY A 44 4.991 12.455 13.512 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.546 12.153 12.764 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.117 12.606 11.017 1.00 1.13 H new HETATM 0 HD2 MLY A 44 4.353 11.042 11.771 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.294 11.329 8.894 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.851 9.822 9.595 1.00 25.45 H new HETATM 0 HA MLY A 44 7.124 10.444 8.325 1.00 24.12 H new ATOM 747 N PRO A 45 6.510 8.182 7.387 1.00 62.03 N ATOM 748 CA PRO A 45 6.207 6.875 6.772 1.00 10.31 C ATOM 749 C PRO A 45 5.116 6.104 7.525 1.00 72.54 C ATOM 750 O PRO A 45 4.875 6.358 8.709 1.00 63.34 O ATOM 751 CB PRO A 45 7.543 6.127 6.831 1.00 65.23 C ATOM 752 CG PRO A 45 8.305 6.748 7.954 1.00 52.33 C ATOM 753 CD PRO A 45 7.825 8.170 8.076 1.00 64.14 C ATOM 0 HA PRO A 45 5.816 6.988 5.761 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.388 5.062 7.005 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.086 6.221 5.891 1.00 65.23 H new ATOM 0 HG2 PRO A 45 8.137 6.203 8.883 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.377 6.718 7.757 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.728 8.467 9.120 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.523 8.865 7.610 1.00 64.14 H new ATOM 761 N PHE A 46 4.470 5.168 6.825 1.00 52.43 N ATOM 762 CA PHE A 46 3.390 4.370 7.404 1.00 12.42 C ATOM 763 C PHE A 46 3.873 2.986 7.850 1.00 54.51 C ATOM 764 O PHE A 46 4.347 2.185 7.038 1.00 73.33 O ATOM 765 CB PHE A 46 2.250 4.238 6.389 1.00 50.23 C ATOM 766 CG PHE A 46 0.912 3.920 7.005 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.090 4.929 7.483 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.482 2.607 7.107 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.135 4.633 8.050 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.740 2.305 7.672 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.551 3.318 8.145 1.00 10.44 C ATOM 0 H PHE A 46 4.679 4.945 5.852 1.00 52.43 H new ATOM 0 HA PHE A 46 3.031 4.885 8.295 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.168 5.169 5.828 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.504 3.456 5.673 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.411 5.958 7.411 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.111 1.810 6.740 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.767 5.428 8.418 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.062 1.277 7.744 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.508 3.083 8.588 1.00 10.44 H new HETATM 781 N MLY A 47 3.751 2.734 9.157 1.00 21.12 N HETATM 782 CA MLY A 47 4.136 1.456 9.762 1.00 63.34 C HETATM 783 CB MLY A 47 5.002 1.701 11.005 1.00 43.31 C HETATM 784 CG MLY A 47 5.948 2.879 10.848 1.00 32.35 C HETATM 785 CD MLY A 47 6.957 2.975 11.966 1.00 72.20 C HETATM 786 CE MLY A 47 8.155 3.775 11.498 1.00 42.23 C HETATM 787 NZ MLY A 47 9.099 3.987 12.608 1.00 35.31 N HETATM 788 CH1 MLY A 47 9.108 5.411 12.984 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.449 3.587 12.188 1.00 74.45 C HETATM 790 C MLY A 47 2.889 0.659 10.137 1.00 63.22 C HETATM 791 O MLY A 47 1.961 1.205 10.741 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.446 2.533 11.911 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.756 4.187 11.331 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.147 3.744 13.010 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.415 6.011 12.128 1.00 43.20 H new HETATM 0 HH12 MLY A 47 8.108 5.711 13.297 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.807 5.566 13.806 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.474 2.792 9.897 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.368 3.801 10.808 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.654 3.250 10.683 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.826 4.737 11.104 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.506 3.451 12.837 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.270 1.977 12.274 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.354 1.875 11.864 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.582 0.803 11.220 1.00 43.31 H new HETATM 0 HA MLY A 47 4.716 0.882 9.039 1.00 63.34 H new HETATM 0 H MLY A 47 4.063 3.611 9.575 1.00 21.12 H new ATOM 808 N PHE A 48 2.873 -0.635 9.777 1.00 63.04 N ATOM 809 CA PHE A 48 1.726 -1.516 10.063 1.00 23.12 C ATOM 810 C PHE A 48 2.166 -2.977 10.246 1.00 45.43 C ATOM 811 O PHE A 48 3.252 -3.361 9.807 1.00 53.22 O ATOM 812 CB PHE A 48 0.678 -1.412 8.926 1.00 60.34 C ATOM 813 CG PHE A 48 1.143 -1.948 7.590 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.940 -1.183 6.751 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.784 -3.224 7.187 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.368 -1.684 5.535 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.208 -3.728 5.974 1.00 73.33 C ATOM 818 CZ PHE A 48 2.001 -2.957 5.147 1.00 3.21 C ATOM 0 H PHE A 48 3.641 -1.095 9.288 1.00 63.04 H new ATOM 0 HA PHE A 48 1.277 -1.185 10.999 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.220 -1.952 9.227 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.395 -0.366 8.805 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.229 -0.186 7.050 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.165 -3.832 7.830 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.989 -1.080 4.890 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.920 -4.724 5.672 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.334 -3.350 4.198 1.00 3.21 H new ATOM 828 N MET A 49 1.306 -3.781 10.888 1.00 33.23 N ATOM 829 CA MET A 49 1.586 -5.199 11.110 1.00 71.14 C ATOM 830 C MET A 49 0.763 -6.063 10.161 1.00 22.43 C ATOM 831 O MET A 49 -0.437 -5.835 9.985 1.00 41.24 O ATOM 832 CB MET A 49 1.281 -5.602 12.554 1.00 22.35 C ATOM 833 CG MET A 49 2.487 -5.546 13.480 1.00 60.11 C ATOM 834 SD MET A 49 3.021 -3.861 13.844 1.00 51.55 S ATOM 835 CE MET A 49 1.850 -3.385 15.115 1.00 63.41 C ATOM 0 H MET A 49 0.410 -3.468 11.262 1.00 33.23 H new ATOM 0 HA MET A 49 2.647 -5.358 10.917 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.504 -4.947 12.947 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.878 -6.615 12.560 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.245 -6.054 14.414 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.313 -6.092 13.025 1.00 60.11 H new ATOM 0 HE1 MET A 49 1.584 -2.335 14.990 1.00 63.41 H new ATOM 0 HE2 MET A 49 0.953 -3.999 15.032 1.00 63.41 H new ATOM 0 HE3 MET A 49 2.300 -3.531 16.097 1.00 63.41 H new ATOM 845 N LEU A 50 1.425 -7.055 9.554 1.00 22.40 N ATOM 846 CA LEU A 50 0.781 -7.985 8.620 1.00 23.24 C ATOM 847 C LEU A 50 -0.016 -9.059 9.352 1.00 71.40 C ATOM 848 O LEU A 50 0.420 -9.571 10.387 1.00 63.44 O ATOM 849 CB LEU A 50 1.840 -8.660 7.731 1.00 74.22 C ATOM 850 CG LEU A 50 2.073 -8.074 6.324 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.778 -7.933 5.540 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.820 -6.747 6.397 1.00 72.11 C ATOM 0 H LEU A 50 2.419 -7.235 9.696 1.00 22.40 H new ATOM 0 HA LEU A 50 0.092 -7.405 8.006 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.790 -8.638 8.265 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.563 -9.708 7.616 1.00 74.22 H new ATOM 0 HG LEU A 50 2.698 -8.784 5.782 1.00 62.03 H new ATOM 0 HD11 LEU A 50 0.992 -7.516 4.556 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.313 -8.912 5.426 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.099 -7.269 6.075 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.970 -6.358 5.390 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.237 -6.033 6.979 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.788 -6.900 6.874 1.00 72.11 H new ATOM 864 N GLY A 51 -1.187 -9.386 8.794 1.00 35.24 N ATOM 865 CA GLY A 51 -2.058 -10.396 9.381 1.00 71.31 C ATOM 866 C GLY A 51 -2.919 -9.863 10.521 1.00 50.01 C ATOM 867 O GLY A 51 -3.808 -10.567 11.009 1.00 31.34 O ATOM 0 H GLY A 51 -1.548 -8.964 7.939 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.707 -10.802 8.605 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.449 -11.221 9.750 1.00 71.31 H new HETATM 871 N MLY A 52 -2.649 -8.616 10.941 1.00 22.42 N HETATM 872 CA MLY A 52 -3.404 -7.964 12.020 1.00 50.33 C HETATM 873 CB MLY A 52 -2.532 -6.934 12.759 1.00 33.52 C HETATM 874 CG MLY A 52 -1.431 -7.532 13.635 1.00 64.24 C HETATM 875 CD MLY A 52 -1.992 -8.321 14.812 1.00 72.22 C HETATM 876 CE MLY A 52 -0.963 -8.480 15.924 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.301 -9.647 16.756 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.520 -9.215 18.146 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.198 -10.619 16.716 1.00 42.22 C HETATM 880 C MLY A 52 -4.649 -7.275 11.468 1.00 12.24 C HETATM 881 O MLY A 52 -5.554 -6.907 12.222 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.036 -10.943 15.688 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.711 -10.154 17.098 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.451 -11.482 17.333 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.613 -8.748 18.529 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.340 -8.497 18.179 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.770 -10.080 18.761 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.803 -8.185 13.029 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.792 -6.732 14.009 1.00 64.24 H new HETATM 0 HE3 MLY A 52 0.032 -8.603 15.496 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.936 -7.580 16.538 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -2.875 -7.814 15.202 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.314 -9.305 14.471 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.072 -6.274 12.023 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.177 -6.315 13.383 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.707 -8.739 12.724 1.00 50.33 H new HETATM 0 H MLY A 52 -1.676 -8.359 10.772 1.00 22.42 H new ATOM 898 N GLN A 53 -4.668 -7.103 10.132 1.00 64.22 N ATOM 899 CA GLN A 53 -5.788 -6.471 9.390 1.00 1.55 C ATOM 900 C GLN A 53 -5.894 -4.960 9.672 1.00 54.20 C ATOM 901 O GLN A 53 -6.976 -4.367 9.570 1.00 41.22 O ATOM 902 CB GLN A 53 -7.135 -7.180 9.671 1.00 51.25 C ATOM 903 CG GLN A 53 -7.171 -8.634 9.222 1.00 51.21 C ATOM 904 CD GLN A 53 -8.575 -9.206 9.209 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.278 -9.134 8.202 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.990 -9.780 10.333 1.00 1.32 N ATOM 0 H GLN A 53 -3.902 -7.400 9.528 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.562 -6.590 8.330 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.342 -7.135 10.740 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.934 -6.635 9.168 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.741 -8.713 8.223 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.546 -9.231 9.886 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.373 -9.817 11.144 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.925 -10.183 10.384 1.00 1.32 H new ATOM 915 N GLU A 54 -4.749 -4.341 10.003 1.00 41.31 N ATOM 916 CA GLU A 54 -4.679 -2.895 10.279 1.00 72.24 C ATOM 917 C GLU A 54 -4.718 -2.091 8.976 1.00 75.25 C ATOM 918 O GLU A 54 -4.916 -0.873 8.987 1.00 34.30 O ATOM 919 CB GLU A 54 -3.396 -2.550 11.045 1.00 53.34 C ATOM 920 CG GLU A 54 -3.360 -3.087 12.466 1.00 11.31 C ATOM 921 CD GLU A 54 -2.111 -2.670 13.216 1.00 20.35 C ATOM 922 OE1 GLU A 54 -1.111 -3.417 13.165 1.00 44.02 O ATOM 923 OE2 GLU A 54 -2.132 -1.597 13.855 1.00 15.22 O ATOM 0 H GLU A 54 -3.854 -4.822 10.087 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.544 -2.633 10.889 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.541 -2.945 10.497 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.283 -1.466 11.074 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.238 -2.734 13.006 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.418 -4.175 12.441 1.00 11.31 H new ATOM 930 N VAL A 55 -4.527 -2.804 7.863 1.00 22.22 N ATOM 931 CA VAL A 55 -4.524 -2.210 6.526 1.00 23.14 C ATOM 932 C VAL A 55 -5.481 -2.972 5.595 1.00 5.11 C ATOM 933 O VAL A 55 -6.141 -3.925 6.025 1.00 74.45 O ATOM 934 CB VAL A 55 -3.079 -2.156 5.930 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.227 -1.157 6.703 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.396 -3.528 5.919 1.00 43.13 C ATOM 0 H VAL A 55 -4.370 -3.812 7.865 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.879 -1.183 6.612 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.174 -1.834 4.893 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.224 -1.129 6.278 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.677 -0.167 6.636 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.170 -1.460 7.749 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.396 -3.433 5.495 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.324 -3.907 6.939 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.982 -4.221 5.315 1.00 43.13 H new ATOM 946 N ILE A 56 -5.553 -2.549 4.325 1.00 52.14 N ATOM 947 CA ILE A 56 -6.435 -3.188 3.335 1.00 1.25 C ATOM 948 C ILE A 56 -5.852 -4.508 2.813 1.00 22.44 C ATOM 949 O ILE A 56 -4.641 -4.734 2.891 1.00 40.42 O ATOM 950 CB ILE A 56 -6.772 -2.242 2.143 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.527 -1.483 1.629 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.864 -1.265 2.572 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.690 -0.882 0.241 1.00 34.03 C ATOM 0 H ILE A 56 -5.011 -1.767 3.958 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.364 -3.408 3.861 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.128 -2.852 1.313 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.286 -0.685 2.332 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.678 -2.166 1.619 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.104 -0.600 1.742 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.756 -1.821 2.862 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.513 -0.676 3.419 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.772 -0.368 -0.043 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.899 -1.675 -0.477 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.517 -0.171 0.247 1.00 34.03 H new ATOM 965 N ARG A 57 -6.736 -5.370 2.282 1.00 73.41 N ATOM 966 CA ARG A 57 -6.348 -6.688 1.749 1.00 3.13 C ATOM 967 C ARG A 57 -5.337 -6.566 0.602 1.00 73.31 C ATOM 968 O ARG A 57 -4.365 -7.325 0.542 1.00 3.15 O ATOM 969 CB ARG A 57 -7.592 -7.446 1.275 1.00 41.00 C ATOM 970 CG ARG A 57 -7.465 -8.956 1.380 1.00 54.31 C ATOM 971 CD ARG A 57 -8.789 -9.644 1.098 1.00 33.13 C ATOM 972 NE ARG A 57 -8.744 -11.077 1.409 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.771 -11.925 1.252 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.946 -11.506 0.786 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.617 -13.204 1.566 1.00 4.55 N ATOM 0 H ARG A 57 -7.735 -5.175 2.210 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.866 -7.243 2.554 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.450 -7.121 1.863 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.796 -7.179 0.238 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.712 -9.309 0.675 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.119 -9.225 2.378 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.575 -9.171 1.686 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -9.051 -9.509 0.048 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.869 -11.456 1.771 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.077 -10.524 0.541 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.715 -12.167 0.674 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.722 -13.537 1.924 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.394 -13.855 1.449 1.00 4.55 H new ATOM 989 N GLY A 58 -5.582 -5.604 -0.298 1.00 75.12 N ATOM 990 CA GLY A 58 -4.688 -5.361 -1.431 1.00 3.21 C ATOM 991 C GLY A 58 -3.288 -4.913 -1.010 1.00 15.14 C ATOM 992 O GLY A 58 -2.339 -5.036 -1.791 1.00 21.04 O ATOM 0 H GLY A 58 -6.391 -4.984 -0.261 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.608 -6.272 -2.024 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.128 -4.599 -2.075 1.00 3.21 H new ATOM 996 N TRP A 59 -3.165 -4.393 0.228 1.00 34.52 N ATOM 997 CA TRP A 59 -1.873 -3.952 0.768 1.00 11.53 C ATOM 998 C TRP A 59 -1.102 -5.122 1.367 1.00 15.11 C ATOM 999 O TRP A 59 0.093 -5.263 1.124 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.048 -2.864 1.839 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.060 -1.444 1.314 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.336 -1.023 0.038 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.778 -0.252 2.067 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.250 0.344 -0.041 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.909 0.841 1.188 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.429 -0.001 3.401 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.707 2.156 1.598 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.229 1.304 3.804 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.369 2.367 2.906 1.00 20.34 C ATOM 0 H TRP A 59 -3.949 -4.270 0.869 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.309 -3.536 -0.067 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.982 -3.046 2.371 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.242 -2.959 2.567 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.585 -1.674 -0.787 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.414 0.900 -0.880 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.318 -0.815 4.102 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.813 2.980 0.908 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.960 1.508 4.830 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.207 3.377 3.253 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.801 -5.970 2.141 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.181 -7.138 2.791 1.00 11.50 C ATOM 1022 C GLU A 60 -0.705 -8.168 1.761 1.00 31.21 C ATOM 1023 O GLU A 60 0.340 -8.799 1.942 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.159 -7.809 3.774 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.656 -6.892 4.879 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.308 -7.650 6.018 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -4.467 -8.086 5.856 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -2.660 -7.806 7.074 1.00 23.02 O ATOM 0 H GLU A 60 -2.798 -5.868 2.332 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.315 -6.772 3.343 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -3.016 -8.186 3.216 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.669 -8.671 4.226 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.820 -6.310 5.267 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.372 -6.183 4.463 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.487 -8.323 0.684 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.164 -9.261 -0.397 1.00 4.04 C ATOM 1037 C GLU A 61 -0.206 -8.641 -1.421 1.00 23.14 C ATOM 1038 O GLU A 61 0.547 -9.362 -2.079 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.447 -9.725 -1.103 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.301 -10.688 -0.283 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.782 -12.115 -0.313 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -3.195 -12.878 -1.211 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -1.963 -12.468 0.562 1.00 21.23 O ATOM 0 H GLU A 61 -2.354 -7.806 0.539 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.666 -10.119 0.055 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -3.046 -8.850 -1.354 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.177 -10.207 -2.043 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.338 -10.342 0.750 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.323 -10.671 -0.662 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.241 -7.303 -1.540 1.00 2.32 N ATOM 1051 CA GLY A 62 0.613 -6.592 -2.490 1.00 34.53 C ATOM 1052 C GLY A 62 1.986 -6.231 -1.938 1.00 41.44 C ATOM 1053 O GLY A 62 2.998 -6.444 -2.612 1.00 71.54 O ATOM 0 H GLY A 62 -0.851 -6.699 -0.990 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.741 -7.208 -3.380 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.108 -5.679 -2.805 1.00 34.53 H new ATOM 1057 N VAL A 63 2.020 -5.683 -0.710 1.00 13.21 N ATOM 1058 CA VAL A 63 3.279 -5.274 -0.051 1.00 21.10 C ATOM 1059 C VAL A 63 4.204 -6.481 0.211 1.00 62.21 C ATOM 1060 O VAL A 63 5.426 -6.333 0.297 1.00 10.30 O ATOM 1061 CB VAL A 63 2.986 -4.498 1.275 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.721 -5.429 2.464 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.117 -3.528 1.593 1.00 1.13 C ATOM 0 H VAL A 63 1.186 -5.511 -0.149 1.00 13.21 H new ATOM 0 HA VAL A 63 3.802 -4.604 -0.733 1.00 21.10 H new ATOM 0 HB VAL A 63 2.069 -3.933 1.110 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.524 -4.834 3.356 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.856 -6.057 2.249 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.594 -6.059 2.634 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.893 -2.999 2.519 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.049 -4.081 1.708 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.219 -2.809 0.780 1.00 1.13 H new ATOM 1073 N ALA A 64 3.587 -7.661 0.334 1.00 31.45 N ATOM 1074 CA ALA A 64 4.305 -8.918 0.576 1.00 31.03 C ATOM 1075 C ALA A 64 5.001 -9.425 -0.694 1.00 33.41 C ATOM 1076 O ALA A 64 5.768 -10.393 -0.649 1.00 20.51 O ATOM 1077 CB ALA A 64 3.334 -9.966 1.100 1.00 31.20 C ATOM 0 H ALA A 64 2.575 -7.772 0.269 1.00 31.45 H new ATOM 0 HA ALA A 64 5.079 -8.731 1.321 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.868 -10.899 1.279 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.890 -9.617 2.032 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.548 -10.134 0.364 1.00 31.20 H new ATOM 1083 N GLN A 65 4.726 -8.751 -1.817 1.00 10.14 N ATOM 1084 CA GLN A 65 5.304 -9.105 -3.116 1.00 4.44 C ATOM 1085 C GLN A 65 6.579 -8.298 -3.398 1.00 1.34 C ATOM 1086 O GLN A 65 7.304 -8.590 -4.354 1.00 54.10 O ATOM 1087 CB GLN A 65 4.273 -8.867 -4.230 1.00 23.01 C ATOM 1088 CG GLN A 65 2.914 -9.513 -3.961 1.00 41.22 C ATOM 1089 CD GLN A 65 1.944 -9.414 -5.128 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.325 -9.550 -6.294 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.676 -9.161 -4.817 1.00 4.02 N ATOM 0 H GLN A 65 4.098 -7.948 -1.850 1.00 10.14 H new ATOM 0 HA GLN A 65 5.573 -10.161 -3.091 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.135 -7.794 -4.361 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.670 -9.255 -5.168 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.065 -10.564 -3.714 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.465 -9.042 -3.087 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.402 -9.055 -3.840 1.00 4.02 H new ATOM 0 HE22 GLN A 65 -0.022 -9.073 -5.555 1.00 4.02 H new ATOM 1100 N MET A 66 6.843 -7.287 -2.555 1.00 51.30 N ATOM 1101 CA MET A 66 8.024 -6.429 -2.702 1.00 45.42 C ATOM 1102 C MET A 66 9.056 -6.735 -1.615 1.00 14.24 C ATOM 1103 O MET A 66 8.709 -7.241 -0.543 1.00 42.21 O ATOM 1104 CB MET A 66 7.658 -4.932 -2.651 1.00 54.20 C ATOM 1105 CG MET A 66 6.172 -4.608 -2.506 1.00 71.10 C ATOM 1106 SD MET A 66 5.763 -2.921 -3.023 1.00 71.25 S ATOM 1107 CE MET A 66 6.906 -1.943 -2.044 1.00 23.31 C ATOM 0 H MET A 66 6.250 -7.045 -1.761 1.00 51.30 H new ATOM 0 HA MET A 66 8.451 -6.645 -3.681 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.191 -4.477 -1.817 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.025 -4.458 -3.561 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.592 -5.315 -3.099 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.875 -4.746 -1.466 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.798 -0.890 -2.303 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.688 -2.080 -0.985 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.927 -2.264 -2.248 1.00 23.31 H new ATOM 1117 N SER A 67 10.322 -6.410 -1.904 1.00 4.44 N ATOM 1118 CA SER A 67 11.428 -6.640 -0.969 1.00 50.24 C ATOM 1119 C SER A 67 11.968 -5.311 -0.435 1.00 5.23 C ATOM 1120 O SER A 67 11.651 -4.253 -0.979 1.00 51.25 O ATOM 1121 CB SER A 67 12.546 -7.427 -1.664 1.00 21.11 C ATOM 1122 OG SER A 67 12.903 -6.826 -2.898 1.00 40.45 O ATOM 0 H SER A 67 10.606 -5.983 -2.786 1.00 4.44 H new ATOM 0 HA SER A 67 11.056 -7.222 -0.126 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.419 -7.475 -1.014 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.220 -8.453 -1.836 1.00 21.11 H new ATOM 0 HG SER A 67 12.474 -7.310 -3.634 1.00 40.45 H new ATOM 1128 N VAL A 68 12.797 -5.375 0.626 1.00 33.02 N ATOM 1129 CA VAL A 68 13.394 -4.176 1.253 1.00 53.10 C ATOM 1130 C VAL A 68 14.178 -3.342 0.223 1.00 12.43 C ATOM 1131 O VAL A 68 15.093 -3.847 -0.433 1.00 21.20 O ATOM 1132 CB VAL A 68 14.319 -4.565 2.451 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.133 -3.377 2.963 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.498 -5.152 3.595 1.00 13.21 C ATOM 0 H VAL A 68 13.071 -6.251 1.070 1.00 33.02 H new ATOM 0 HA VAL A 68 12.575 -3.568 1.636 1.00 53.10 H new ATOM 0 HB VAL A 68 15.017 -5.315 2.079 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.760 -3.697 3.795 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.763 -2.995 2.160 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.457 -2.591 3.300 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.160 -5.417 4.420 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.770 -4.416 3.936 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.976 -6.044 3.248 1.00 13.21 H new ATOM 1144 N GLY A 69 13.790 -2.068 0.101 1.00 54.02 N ATOM 1145 CA GLY A 69 14.433 -1.158 -0.839 1.00 71.34 C ATOM 1146 C GLY A 69 13.761 -1.135 -2.206 1.00 5.22 C ATOM 1147 O GLY A 69 14.240 -0.454 -3.118 1.00 23.21 O ATOM 0 H GLY A 69 13.034 -1.649 0.643 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.428 -0.151 -0.422 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.477 -1.448 -0.959 1.00 71.34 H new ATOM 1151 N GLN A 70 12.653 -1.879 -2.346 1.00 55.02 N ATOM 1152 CA GLN A 70 11.918 -1.952 -3.609 1.00 4.10 C ATOM 1153 C GLN A 70 10.766 -0.949 -3.641 1.00 65.14 C ATOM 1154 O GLN A 70 10.095 -0.721 -2.630 1.00 64.15 O ATOM 1155 CB GLN A 70 11.376 -3.371 -3.841 1.00 54.10 C ATOM 1156 CG GLN A 70 11.095 -3.688 -5.306 1.00 53.24 C ATOM 1157 CD GLN A 70 10.340 -4.989 -5.499 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.027 -4.889 -5.670 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 10.933 -6.068 -5.517 1.00 4.25 N flip ATOM 0 H GLN A 70 12.249 -2.439 -1.595 1.00 55.02 H new ATOM 0 HA GLN A 70 12.616 -1.701 -4.408 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.095 -4.093 -3.454 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.457 -3.498 -3.268 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.520 -2.873 -5.744 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.039 -3.739 -5.848 1.00 53.24 H new ATOM 0 HE21 GLN A 70 11.943 -6.097 -5.381 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.414 -6.933 -5.668 1.00 4.25 H new ATOM 1168 N ARG A 71 10.559 -0.363 -4.820 1.00 33.42 N ATOM 1169 CA ARG A 71 9.486 0.603 -5.043 1.00 34.40 C ATOM 1170 C ARG A 71 8.559 0.088 -6.151 1.00 60.34 C ATOM 1171 O ARG A 71 8.942 0.050 -7.326 1.00 3.51 O ATOM 1172 CB ARG A 71 10.075 1.977 -5.409 1.00 73.14 C ATOM 1173 CG ARG A 71 9.129 3.152 -5.171 1.00 14.30 C ATOM 1174 CD ARG A 71 8.879 3.926 -6.455 1.00 71.52 C ATOM 1175 NE ARG A 71 7.893 4.995 -6.270 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.815 6.102 -7.024 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.663 6.312 -8.029 1.00 54.01 N ATOM 1178 NH2 ARG A 71 6.880 7.006 -6.765 1.00 42.24 N ATOM 0 H ARG A 71 11.130 -0.545 -5.646 1.00 33.42 H new ATOM 0 HA ARG A 71 8.905 0.721 -4.128 1.00 34.40 H new ATOM 0 HB2 ARG A 71 10.984 2.135 -4.829 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.365 1.966 -6.460 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.182 2.785 -4.774 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.553 3.817 -4.419 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.817 4.355 -6.808 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.531 3.242 -7.229 1.00 71.52 H new ATOM 0 HE ARG A 71 7.217 4.890 -5.513 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.388 5.625 -8.237 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.588 7.160 -8.591 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.226 6.857 -5.997 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.815 7.850 -7.334 1.00 42.24 H new ATOM 1192 N ALA A 72 7.347 -0.322 -5.759 1.00 5.10 N ATOM 1193 CA ALA A 72 6.364 -0.854 -6.704 1.00 53.23 C ATOM 1194 C ALA A 72 4.990 -0.204 -6.523 1.00 61.04 C ATOM 1195 O ALA A 72 4.681 0.318 -5.448 1.00 32.53 O ATOM 1196 CB ALA A 72 6.260 -2.367 -6.550 1.00 53.11 C ATOM 0 H ALA A 72 7.025 -0.295 -4.792 1.00 5.10 H new ATOM 0 HA ALA A 72 6.707 -0.616 -7.711 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.526 -2.755 -7.257 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.231 -2.821 -6.749 1.00 53.11 H new ATOM 0 HB3 ALA A 72 5.948 -2.609 -5.534 1.00 53.11 H new HETATM 1202 N MLY A 73 4.173 -0.244 -7.588 1.00 72.40 N HETATM 1203 CA MLY A 73 2.828 0.330 -7.565 1.00 10.44 C HETATM 1204 CB MLY A 73 2.597 1.182 -8.817 1.00 42.22 C HETATM 1205 CG MLY A 73 1.775 2.439 -8.565 1.00 32.23 C HETATM 1206 CD MLY A 73 1.611 3.266 -9.835 1.00 43.41 C HETATM 1207 CE MLY A 73 2.570 4.450 -9.862 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.356 5.241 -11.086 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.599 5.276 -11.874 1.00 62.33 C HETATM 1210 CH2 MLY A 73 1.968 6.613 -10.726 1.00 20.10 C HETATM 1211 C MLY A 73 1.778 -0.776 -7.476 1.00 30.22 C HETATM 1212 O MLY A 73 1.751 -1.684 -8.312 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.046 6.590 -10.145 1.00 20.10 H new HETATM 0 HH22 MLY A 73 2.760 7.071 -10.133 1.00 20.10 H new HETATM 0 HH21 MLY A 73 1.810 7.196 -11.633 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.392 5.732 -11.282 1.00 62.33 H new HETATM 0 HH12 MLY A 73 3.887 4.260 -12.145 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.439 5.862 -12.779 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.793 2.162 -8.181 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.258 3.043 -7.797 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.414 5.075 -8.983 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.600 4.096 -9.823 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.787 2.635 -10.706 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.585 3.627 -9.905 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.563 1.469 -9.233 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.093 0.575 -9.570 1.00 42.22 H new HETATM 0 HA MLY A 73 2.735 0.966 -6.685 1.00 10.44 H new HETATM 0 H MLY A 73 4.798 -0.048 -8.370 1.00 72.40 H new ATOM 1229 N LEU A 74 0.918 -0.689 -6.456 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.135 -1.686 -6.241 1.00 74.33 C ATOM 1231 C LEU A 74 -1.493 -1.142 -6.672 1.00 30.42 C ATOM 1232 O LEU A 74 -1.846 -0.003 -6.350 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.216 -2.121 -4.763 1.00 54.31 C ATOM 1234 CG LEU A 74 1.045 -1.907 -3.919 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.944 -0.591 -3.165 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.258 -3.071 -2.957 1.00 45.42 C ATOM 0 H LEU A 74 0.931 0.062 -5.766 1.00 74.52 H new ATOM 0 HA LEU A 74 0.123 -2.553 -6.849 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -1.038 -1.581 -4.293 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.472 -3.180 -4.732 1.00 54.31 H new ATOM 0 HG LEU A 74 1.909 -1.864 -4.583 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.843 -0.444 -2.567 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.844 0.229 -3.876 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.073 -0.613 -2.511 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.159 -2.897 -2.369 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.400 -3.154 -2.290 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.368 -3.996 -3.523 1.00 45.42 H new ATOM 1248 N THR A 75 -2.242 -1.970 -7.402 1.00 22.43 N ATOM 1249 CA THR A 75 -3.575 -1.615 -7.879 1.00 34.30 C ATOM 1250 C THR A 75 -4.626 -2.259 -6.975 1.00 11.12 C ATOM 1251 O THR A 75 -4.756 -3.487 -6.937 1.00 0.33 O ATOM 1252 CB THR A 75 -3.792 -2.065 -9.349 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.630 -1.763 -10.132 1.00 4.44 O ATOM 1254 CG2 THR A 75 -5.006 -1.382 -9.973 1.00 22.41 C ATOM 0 H THR A 75 -1.940 -2.904 -7.678 1.00 22.43 H new ATOM 0 HA THR A 75 -3.673 -0.530 -7.846 1.00 34.30 H new ATOM 0 HB THR A 75 -3.968 -3.141 -9.340 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.903 -2.372 -9.886 1.00 4.44 H new ATOM 0 HG21 THR A 75 -5.126 -1.722 -11.002 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.899 -1.634 -9.401 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.861 -0.302 -9.962 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.360 -1.419 -6.248 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.394 -1.894 -5.332 1.00 1.42 C ATOM 1264 C ILE A 76 -7.777 -1.646 -5.923 1.00 60.35 C ATOM 1265 O ILE A 76 -8.057 -0.567 -6.449 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.288 -1.219 -3.923 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.805 -1.079 -3.460 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.125 -1.975 -2.879 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -4.051 -2.382 -3.198 1.00 11.52 C ATOM 0 H ILE A 76 -5.257 -0.405 -6.276 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.240 -2.965 -5.198 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.697 -0.213 -4.015 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.262 -0.516 -4.219 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.786 -0.484 -2.547 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -7.031 -1.482 -1.911 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.171 -1.978 -3.184 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.767 -3.002 -2.800 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -3.032 -2.156 -2.883 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.558 -2.944 -2.413 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -4.024 -2.977 -4.111 1.00 11.52 H new ATOM 1281 N SER A 77 -8.625 -2.667 -5.827 1.00 11.11 N ATOM 1282 CA SER A 77 -9.993 -2.604 -6.334 1.00 42.11 C ATOM 1283 C SER A 77 -10.982 -2.328 -5.194 1.00 43.15 C ATOM 1284 O SER A 77 -10.638 -2.530 -4.027 1.00 74.23 O ATOM 1285 CB SER A 77 -10.357 -3.914 -7.055 1.00 53.42 C ATOM 1286 OG SER A 77 -9.567 -5.003 -6.602 1.00 32.12 O ATOM 0 H SER A 77 -8.384 -3.560 -5.396 1.00 11.11 H new ATOM 0 HA SER A 77 -10.057 -1.783 -7.048 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.411 -4.137 -6.892 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.220 -3.788 -8.129 1.00 53.42 H new ATOM 0 HG SER A 77 -8.742 -5.050 -7.129 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.237 -1.861 -5.502 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.256 -1.570 -4.469 1.00 50.11 C ATOM 1294 C PRO A 78 -13.644 -2.801 -3.637 1.00 62.43 C ATOM 1295 O PRO A 78 -14.222 -2.667 -2.561 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.467 -1.062 -5.267 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.239 -1.502 -6.672 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.754 -1.578 -6.860 1.00 55.53 C ATOM 0 HA PRO A 78 -12.877 -0.852 -3.742 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.396 -1.475 -4.874 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.549 0.023 -5.205 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.703 -2.471 -6.855 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.683 -0.798 -7.376 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.480 -2.364 -7.564 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.353 -0.644 -7.254 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.311 -3.991 -4.153 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.597 -5.255 -3.473 1.00 63.51 C ATOM 1308 C ASP A 79 -12.476 -5.627 -2.495 1.00 41.14 C ATOM 1309 O ASP A 79 -12.707 -6.352 -1.523 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.783 -6.365 -4.504 1.00 74.51 C ATOM 1311 CG ASP A 79 -15.236 -6.563 -4.888 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.689 -5.914 -5.854 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.922 -7.368 -4.223 1.00 45.33 O ATOM 0 H ASP A 79 -12.838 -4.102 -5.050 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.516 -5.134 -2.899 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.204 -6.128 -5.396 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.386 -7.298 -4.104 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.266 -5.120 -2.768 1.00 23.22 N ATOM 1319 CA TYR A 80 -10.095 -5.375 -1.919 1.00 53.15 C ATOM 1320 C TYR A 80 -9.796 -4.182 -1.009 1.00 65.53 C ATOM 1321 O TYR A 80 -9.097 -4.327 -0.001 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.859 -5.687 -2.776 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.656 -7.163 -3.061 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -9.565 -7.881 -3.834 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -7.552 -7.840 -2.554 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -9.381 -9.225 -4.089 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -7.361 -9.184 -2.808 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.278 -9.872 -3.574 1.00 23.34 C ATOM 1329 OH TYR A 80 -8.091 -11.212 -3.827 1.00 73.03 O ATOM 0 H TYR A 80 -11.072 -4.527 -3.575 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.328 -6.239 -1.296 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.944 -5.154 -3.723 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.974 -5.301 -2.271 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -10.429 -7.377 -4.241 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -6.832 -7.306 -1.952 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -10.097 -9.767 -4.689 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -6.497 -9.694 -2.408 1.00 30.14 H new ATOM 0 HH TYR A 80 -7.266 -11.515 -3.393 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.330 -3.005 -1.373 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.114 -1.775 -0.608 1.00 1.04 C ATOM 1341 C ALA A 81 -11.100 -1.622 0.561 1.00 31.52 C ATOM 1342 O ALA A 81 -10.685 -1.612 1.721 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.181 -0.567 -1.535 1.00 23.45 C ATOM 0 H ALA A 81 -10.917 -2.884 -2.198 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.119 -1.837 -0.166 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -10.019 0.344 -0.958 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.410 -0.653 -2.301 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.161 -0.527 -2.010 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.402 -1.511 0.257 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.423 -1.335 1.299 1.00 21.22 C ATOM 1351 C TYR A 82 -14.616 -2.268 1.083 1.00 64.31 C ATOM 1352 O TYR A 82 -15.010 -2.999 1.997 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.892 0.131 1.341 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.789 1.125 1.660 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.959 1.623 0.659 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.579 1.564 2.962 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.955 2.528 0.948 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.577 2.469 3.257 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.769 2.948 2.248 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.771 3.849 2.540 1.00 54.35 O ATOM 0 H TYR A 82 -12.770 -1.540 -0.694 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.970 -1.594 2.256 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.331 0.389 0.377 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.681 0.228 2.087 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.102 1.297 -0.360 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.209 1.192 3.756 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.320 2.904 0.160 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.428 2.800 4.274 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.775 4.042 3.501 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.181 -2.233 -0.129 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.325 -3.068 -0.464 1.00 10.01 C ATOM 1372 C GLY A 83 -17.209 -2.427 -1.514 1.00 71.34 C ATOM 1373 O GLY A 83 -16.707 -1.814 -2.461 1.00 23.23 O ATOM 0 H GLY A 83 -14.860 -1.634 -0.889 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.974 -4.034 -0.826 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.910 -3.258 0.436 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.525 -2.568 -1.341 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.499 -1.996 -2.273 1.00 33.53 C ATOM 1379 C ALA A 84 -20.020 -0.640 -1.784 1.00 20.43 C ATOM 1380 O ALA A 84 -20.687 0.081 -2.534 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.653 -2.965 -2.488 1.00 43.40 C ATOM 0 H ALA A 84 -18.942 -3.076 -0.561 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.993 -1.830 -3.224 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.370 -2.528 -3.183 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.272 -3.899 -2.900 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.145 -3.162 -1.535 1.00 43.40 H new ATOM 1387 N THR A 85 -19.704 -0.302 -0.527 1.00 42.23 N ATOM 1388 CA THR A 85 -20.130 0.962 0.073 1.00 52.23 C ATOM 1389 C THR A 85 -18.983 1.983 0.048 1.00 53.03 C ATOM 1390 O THR A 85 -19.114 3.051 -0.558 1.00 62.14 O ATOM 1391 CB THR A 85 -20.628 0.750 1.531 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.396 -0.457 1.618 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.485 1.920 2.009 1.00 23.54 C ATOM 0 H THR A 85 -19.151 -0.893 0.094 1.00 42.23 H new ATOM 0 HA THR A 85 -20.960 1.350 -0.518 1.00 52.23 H new ATOM 0 HB THR A 85 -19.748 0.682 2.170 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.704 -0.583 2.540 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.814 1.736 3.032 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.898 2.838 1.977 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.355 2.023 1.360 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.863 1.642 0.712 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.699 2.527 0.766 1.00 62.01 C ATOM 1403 C GLY A 86 -16.904 3.734 1.670 1.00 41.14 C ATOM 1404 O GLY A 86 -17.859 3.774 2.452 1.00 62.55 O ATOM 0 H GLY A 86 -17.746 0.762 1.215 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.836 1.961 1.117 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.466 2.871 -0.241 1.00 62.01 H new ATOM 1408 N HIS A 87 -16.000 4.713 1.557 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.076 5.940 2.351 1.00 52.22 C ATOM 1410 C HIS A 87 -16.737 7.059 1.525 1.00 53.50 C ATOM 1411 O HIS A 87 -16.256 7.376 0.434 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.674 6.368 2.810 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.670 7.240 4.034 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.236 6.822 5.272 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.054 8.534 4.190 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.367 7.849 6.123 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.859 8.912 5.515 1.00 2.31 N ATOM 0 H HIS A 87 -15.204 4.677 0.920 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.683 5.751 3.236 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.081 5.476 3.010 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.183 6.901 1.995 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.448 9.168 3.410 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.104 7.812 7.170 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.056 9.823 5.930 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.845 7.688 2.028 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.551 8.753 1.287 1.00 44.10 C ATOM 1427 C PRO A 88 -17.751 10.059 1.177 1.00 24.12 C ATOM 1428 O PRO A 88 -17.334 10.633 2.190 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.838 8.968 2.097 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.521 8.504 3.479 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.494 7.412 3.338 1.00 31.53 C ATOM 0 HA PRO A 88 -18.725 8.461 0.251 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.133 10.017 2.093 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.668 8.402 1.673 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.135 9.324 4.085 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.416 8.133 3.979 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.771 7.437 4.154 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.957 6.425 3.353 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.540 10.504 -0.067 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.808 11.736 -0.318 1.00 34.40 C ATOM 1441 C GLY A 89 -15.430 11.507 -0.913 1.00 12.22 C ATOM 1442 O GLY A 89 -15.070 12.148 -1.905 1.00 23.13 O ATOM 0 H GLY A 89 -17.867 10.027 -0.907 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.388 12.363 -0.995 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.705 12.286 0.617 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.661 10.593 -0.309 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.301 10.295 -0.771 1.00 12.54 C ATOM 1448 C ILE A 90 -13.261 9.018 -1.626 1.00 61.23 C ATOM 1449 O ILE A 90 -12.724 9.034 -2.737 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.297 10.160 0.415 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.557 11.239 1.478 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.851 10.261 -0.086 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.309 10.772 2.896 1.00 60.20 C ATOM 0 H ILE A 90 -14.958 10.048 0.500 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.996 11.141 -1.386 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.446 9.180 0.868 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.920 12.099 1.272 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.589 11.579 1.393 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.166 10.164 0.757 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.658 9.464 -0.804 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.699 11.227 -0.568 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.514 11.588 3.589 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.965 9.931 3.122 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.270 10.460 3.000 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.830 7.926 -1.101 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.832 6.639 -1.803 1.00 30.21 C ATOM 1467 C ILE A 91 -15.251 6.278 -2.298 1.00 51.24 C ATOM 1468 O ILE A 91 -16.061 5.754 -1.526 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.265 5.486 -0.903 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.957 5.900 -0.167 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -13.045 4.198 -1.710 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.806 6.379 -1.053 1.00 2.32 C ATOM 0 H ILE A 91 -14.294 7.909 -0.193 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.177 6.746 -2.667 1.00 30.21 H new ATOM 0 HB ILE A 91 -14.020 5.289 -0.142 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.198 6.694 0.540 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.608 5.048 0.417 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.652 3.421 -1.055 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.993 3.869 -2.135 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.334 4.389 -2.514 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.951 6.639 -0.429 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.523 5.584 -1.743 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.123 7.255 -1.618 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.577 6.553 -3.598 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.900 6.226 -4.168 1.00 52.13 C ATOM 1486 C PRO A 92 -17.104 4.706 -4.373 1.00 22.44 C ATOM 1487 O PRO A 92 -16.130 3.949 -4.323 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.902 6.967 -5.513 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.470 7.098 -5.888 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.706 7.224 -4.598 1.00 13.45 C ATOM 0 HA PRO A 92 -17.712 6.523 -3.505 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.457 6.411 -6.268 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.377 7.944 -5.424 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.135 6.229 -6.455 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.312 7.972 -6.521 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.730 6.743 -4.664 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.531 8.268 -4.338 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.369 4.237 -4.606 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.661 2.802 -4.806 1.00 52.41 C ATOM 1500 C PRO A 93 -18.236 2.284 -6.186 1.00 70.11 C ATOM 1501 O PRO A 93 -18.349 2.999 -7.185 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.185 2.731 -4.649 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.683 4.077 -5.058 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.604 5.060 -4.684 1.00 73.21 C ATOM 0 HA PRO A 93 -18.109 2.178 -4.103 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.609 1.947 -5.276 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.465 2.503 -3.620 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.883 4.108 -6.129 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.618 4.316 -4.552 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.509 5.850 -5.429 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.820 5.545 -3.732 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.748 1.025 -6.224 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.295 0.356 -7.469 1.00 45.34 C ATOM 1514 C HIS A 94 -16.195 1.167 -8.188 1.00 60.20 C ATOM 1515 O HIS A 94 -16.187 1.287 -9.421 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.487 0.086 -8.418 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.557 -0.778 -7.817 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.499 -2.153 -7.769 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.728 -0.431 -7.224 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.611 -2.590 -7.163 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.390 -1.584 -6.812 1.00 70.34 N ATOM 0 H HIS A 94 -17.656 0.441 -5.393 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.861 -0.602 -7.182 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.926 1.039 -8.714 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.116 -0.390 -9.326 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.088 0.579 -7.093 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.840 -3.630 -6.985 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.291 -1.640 -6.337 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.257 1.702 -7.396 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.159 2.510 -7.921 1.00 71.05 C ATOM 1531 C ALA A 95 -12.803 1.924 -7.553 1.00 4.34 C ATOM 1532 O ALA A 95 -12.554 1.568 -6.398 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.275 3.941 -7.417 1.00 13.05 C ATOM 0 H ALA A 95 -15.241 1.586 -6.383 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.232 2.507 -9.009 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.452 4.535 -7.814 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.222 4.367 -7.747 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.234 3.948 -6.328 1.00 13.05 H new ATOM 1539 N THR A 96 -11.940 1.836 -8.566 1.00 34.22 N ATOM 1540 CA THR A 96 -10.579 1.309 -8.425 1.00 13.14 C ATOM 1541 C THR A 96 -9.619 2.394 -7.916 1.00 22.22 C ATOM 1542 O THR A 96 -9.664 3.540 -8.373 1.00 73.11 O ATOM 1543 CB THR A 96 -10.076 0.746 -9.779 1.00 32.40 C ATOM 1544 OG1 THR A 96 -11.098 -0.060 -10.381 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.812 -0.097 -9.617 1.00 64.35 C ATOM 0 H THR A 96 -12.166 2.131 -9.516 1.00 34.22 H new ATOM 0 HA THR A 96 -10.604 0.502 -7.693 1.00 13.14 H new ATOM 0 HB THR A 96 -9.838 1.599 -10.415 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.582 0.470 -11.048 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.496 -0.470 -10.591 1.00 64.35 H new ATOM 0 HG22 THR A 96 -8.019 0.515 -9.189 1.00 64.35 H new ATOM 0 HG23 THR A 96 -9.018 -0.938 -8.955 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.761 2.005 -6.969 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.783 2.910 -6.367 1.00 52.44 C ATOM 1555 C LEU A 97 -6.357 2.472 -6.702 1.00 25.12 C ATOM 1556 O LEU A 97 -6.104 1.288 -6.943 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.970 2.946 -4.842 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.390 3.266 -4.351 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.676 2.538 -3.049 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.582 4.764 -4.177 1.00 45.25 C ATOM 0 H LEU A 97 -8.726 1.055 -6.600 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.944 3.908 -6.776 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.674 1.979 -4.436 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.287 3.688 -4.428 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.096 2.921 -5.106 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.686 2.775 -2.714 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.589 1.463 -3.206 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.959 2.853 -2.291 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.596 4.963 -3.829 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.867 5.140 -3.446 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.422 5.265 -5.132 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.436 3.440 -6.711 1.00 33.31 N ATOM 1573 CA VAL A 98 -4.021 3.182 -7.008 1.00 60.04 C ATOM 1574 C VAL A 98 -3.156 3.662 -5.839 1.00 55.00 C ATOM 1575 O VAL A 98 -3.297 4.798 -5.383 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.570 3.885 -8.330 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -2.126 3.538 -8.698 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.497 3.526 -9.489 1.00 72.32 C ATOM 0 H VAL A 98 -5.646 4.418 -6.514 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.895 2.108 -7.145 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.627 4.958 -8.148 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.854 4.047 -9.622 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.459 3.858 -7.897 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -2.035 2.461 -8.837 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -4.159 4.029 -10.395 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.482 2.447 -9.646 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.513 3.845 -9.255 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.268 2.785 -5.366 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.373 3.106 -4.253 1.00 43.43 C ATOM 1590 C PHE A 99 0.069 2.757 -4.601 1.00 54.24 C ATOM 1591 O PHE A 99 0.339 1.683 -5.146 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.788 2.345 -2.990 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.077 2.811 -2.376 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -3.081 3.769 -1.375 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.285 2.277 -2.791 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.268 4.183 -0.799 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.473 2.688 -2.222 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.465 3.640 -1.224 1.00 42.42 C ATOM 0 H PHE A 99 -2.150 1.843 -5.739 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.445 4.178 -4.067 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.878 1.286 -3.232 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.994 2.436 -2.249 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.147 4.197 -1.041 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.298 1.529 -3.570 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.259 4.929 -0.018 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.408 2.265 -2.558 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.394 3.961 -0.775 1.00 42.42 H new ATOM 1608 N ASP A 100 0.985 3.674 -4.284 1.00 61.54 N ATOM 1609 CA ASP A 100 2.409 3.472 -4.545 1.00 40.34 C ATOM 1610 C ASP A 100 3.188 3.433 -3.226 1.00 51.50 C ATOM 1611 O ASP A 100 3.398 4.470 -2.584 1.00 33.42 O ATOM 1612 CB ASP A 100 2.942 4.582 -5.468 1.00 33.13 C ATOM 1613 CG ASP A 100 4.250 4.213 -6.149 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.214 3.822 -7.334 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.309 4.315 -5.495 1.00 62.02 O ATOM 0 H ASP A 100 0.763 4.567 -3.844 1.00 61.54 H new ATOM 0 HA ASP A 100 2.546 2.515 -5.049 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.193 4.805 -6.228 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.086 5.492 -4.886 1.00 33.13 H new ATOM 1620 N VAL A 101 3.595 2.224 -2.821 1.00 2.04 N ATOM 1621 CA VAL A 101 4.354 2.041 -1.582 1.00 60.42 C ATOM 1622 C VAL A 101 5.823 1.750 -1.879 1.00 12.12 C ATOM 1623 O VAL A 101 6.158 1.214 -2.941 1.00 50.32 O ATOM 1624 CB VAL A 101 3.766 0.920 -0.660 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.317 1.218 -0.287 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.871 -0.473 -1.286 1.00 41.23 C ATOM 0 H VAL A 101 3.411 1.361 -3.333 1.00 2.04 H new ATOM 0 HA VAL A 101 4.272 2.982 -1.038 1.00 60.42 H new ATOM 0 HB VAL A 101 4.374 0.919 0.245 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.935 0.423 0.353 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.266 2.168 0.245 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.713 1.276 -1.192 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.449 -1.211 -0.604 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.321 -0.491 -2.227 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.918 -0.710 -1.473 1.00 41.23 H new ATOM 1636 N GLU A 102 6.681 2.109 -0.931 1.00 33.11 N ATOM 1637 CA GLU A 102 8.121 1.887 -1.058 1.00 1.22 C ATOM 1638 C GLU A 102 8.660 1.201 0.193 1.00 51.22 C ATOM 1639 O GLU A 102 8.482 1.699 1.308 1.00 12.21 O ATOM 1640 CB GLU A 102 8.875 3.208 -1.335 1.00 41.11 C ATOM 1641 CG GLU A 102 8.556 4.358 -0.378 1.00 34.12 C ATOM 1642 CD GLU A 102 9.337 5.617 -0.700 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.455 5.775 -0.167 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.830 6.445 -1.485 1.00 41.33 O ATOM 0 H GLU A 102 6.404 2.559 -0.059 1.00 33.11 H new ATOM 0 HA GLU A 102 8.290 1.233 -1.914 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.946 3.011 -1.295 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.648 3.530 -2.351 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.489 4.576 -0.420 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.778 4.048 0.643 1.00 34.12 H new ATOM 1651 N LEU A 103 9.335 0.065 -0.012 1.00 24.24 N ATOM 1652 CA LEU A 103 9.910 -0.727 1.080 1.00 4.34 C ATOM 1653 C LEU A 103 11.148 -0.021 1.660 1.00 3.51 C ATOM 1654 O LEU A 103 12.233 -0.056 1.069 1.00 64.00 O ATOM 1655 CB LEU A 103 10.291 -2.127 0.544 1.00 3.14 C ATOM 1656 CG LEU A 103 9.840 -3.380 1.344 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.309 -3.354 2.795 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.330 -3.574 1.272 1.00 21.32 C ATOM 0 H LEU A 103 9.498 -0.331 -0.938 1.00 24.24 H new ATOM 0 HA LEU A 103 9.174 -0.832 1.878 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.887 -2.216 -0.465 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.377 -2.163 0.457 1.00 3.14 H new ATOM 0 HG LEU A 103 10.322 -4.234 0.867 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.965 -4.254 3.305 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.398 -3.314 2.825 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.900 -2.475 3.294 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.049 -4.459 1.842 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.831 -2.700 1.690 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.029 -3.702 0.232 1.00 21.32 H new ATOM 1670 N LEU A 104 10.961 0.648 2.807 1.00 4.14 N ATOM 1671 CA LEU A 104 12.043 1.383 3.466 1.00 44.13 C ATOM 1672 C LEU A 104 12.812 0.488 4.444 1.00 0.54 C ATOM 1673 O LEU A 104 14.027 0.322 4.310 1.00 14.41 O ATOM 1674 CB LEU A 104 11.475 2.620 4.191 1.00 71.51 C ATOM 1675 CG LEU A 104 10.540 3.511 3.352 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.581 4.281 4.245 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.340 4.472 2.483 1.00 62.23 C ATOM 0 H LEU A 104 10.067 0.693 3.296 1.00 4.14 H new ATOM 0 HA LEU A 104 12.746 1.713 2.701 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.932 2.284 5.074 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.309 3.228 4.542 1.00 71.51 H new ATOM 0 HG LEU A 104 9.957 2.861 2.699 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.931 4.903 3.630 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.975 3.579 4.819 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.148 4.913 4.928 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.657 5.090 1.900 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.955 5.110 3.117 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.981 3.905 1.808 1.00 62.23 H new HETATM 1689 N MLY A 105 12.093 -0.085 5.427 1.00 1.45 N HETATM 1690 CA MLY A 105 12.691 -0.968 6.443 1.00 43.20 C HETATM 1691 CB MLY A 105 13.577 -0.162 7.430 1.00 74.32 C HETATM 1692 CG MLY A 105 12.845 0.907 8.244 1.00 22.12 C HETATM 1693 CD MLY A 105 13.808 1.903 8.882 1.00 71.52 C HETATM 1694 CE MLY A 105 13.955 1.657 10.377 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.908 2.622 10.953 1.00 24.33 N HETATM 1696 CH1 MLY A 105 16.039 1.899 11.556 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.235 3.424 11.986 1.00 22.51 C HETATM 1698 C MLY A 105 11.602 -1.757 7.189 1.00 74.02 C HETATM 1699 O MLY A 105 10.407 -1.498 7.015 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.399 3.963 11.541 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.865 2.767 12.773 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.942 4.137 12.411 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.672 1.240 12.342 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.541 1.307 10.791 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.743 2.614 11.981 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.148 1.441 7.597 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.253 0.427 9.023 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.986 1.753 10.867 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.303 0.639 10.554 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.784 1.826 8.402 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.448 2.918 8.713 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.050 -0.860 8.121 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.376 0.319 6.865 1.00 74.32 H new HETATM 0 HA MLY A 105 13.334 -1.685 5.933 1.00 43.20 H new ATOM 1716 N LEU A 106 12.033 -2.715 8.017 1.00 51.44 N ATOM 1717 CA LEU A 106 11.111 -3.548 8.796 1.00 50.34 C ATOM 1718 C LEU A 106 11.428 -3.457 10.285 1.00 15.14 C ATOM 1719 O LEU A 106 12.595 -3.336 10.669 1.00 24.35 O ATOM 1720 CB LEU A 106 11.179 -5.018 8.340 1.00 64.41 C ATOM 1721 CG LEU A 106 11.039 -5.267 6.828 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.611 -6.628 6.462 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.583 -5.174 6.387 1.00 3.23 C ATOM 0 H LEU A 106 13.018 -2.933 8.165 1.00 51.44 H new ATOM 0 HA LEU A 106 10.102 -3.174 8.625 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.131 -5.435 8.669 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.393 -5.573 8.853 1.00 64.41 H new ATOM 0 HG LEU A 106 11.602 -4.493 6.306 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.505 -6.791 5.389 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.666 -6.664 6.732 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.072 -7.406 7.002 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.516 -5.354 5.314 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.993 -5.921 6.918 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.197 -4.180 6.613 1.00 3.23 H new ATOM 1735 N GLU A 107 10.380 -3.517 11.114 1.00 12.24 N ATOM 1736 CA GLU A 107 10.535 -3.443 12.569 1.00 25.05 C ATOM 1737 C GLU A 107 9.819 -4.604 13.250 1.00 14.04 C ATOM 1738 O GLU A 107 10.117 -5.770 12.988 1.00 15.01 O ATOM 1739 CB GLU A 107 9.997 -2.113 13.111 1.00 65.53 C ATOM 1740 CG GLU A 107 10.792 -0.892 12.671 1.00 41.44 C ATOM 1741 CD GLU A 107 10.368 0.370 13.397 1.00 62.30 C ATOM 1742 OE1 GLU A 107 11.118 0.823 14.287 1.00 0.45 O ATOM 1743 OE2 GLU A 107 9.285 0.905 13.077 1.00 25.40 O ATOM 0 H GLU A 107 9.415 -3.617 10.801 1.00 12.24 H new ATOM 0 HA GLU A 107 11.600 -3.506 12.791 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.962 -1.994 12.789 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.989 -2.154 14.200 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.853 -1.070 12.848 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.668 -0.749 11.598 1.00 41.44 H new TER 1750 GLU A 107