USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 HIS : no HE2:sc= 0.0314 X(o=0.062,f=-0.02) USER MOD Set 1.2: A 11 THR OG1 : rot -73:sc= 0.0311 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.21) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.045) USER MOD Single : A 16 THR OG1 : rot 20:sc= 0.752 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 137:sc= 0.632 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.14! C(o=-2.1!,f=-1.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0143) USER MOD Single : A 32 GLN : amide:sc= 0.996 K(o=1,f=-0.88) USER MOD Single : A 37 TYR OH : rot -150:sc= 0.246 USER MOD Single : A 52 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 62 SER OG : rot 180:sc=0.000301 USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= 1.34 (180deg=1.17) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 75 MET CE :methyl 172:sc= -1.28 (180deg=-1.33) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.988 3.225 10.603 1.00 31.30 N ATOM 2 CA MET A 1 9.835 2.097 9.659 1.00 72.52 C ATOM 3 C MET A 1 11.010 2.063 8.692 1.00 2.31 C ATOM 4 O MET A 1 11.061 2.837 7.734 1.00 21.11 O ATOM 5 CB MET A 1 8.521 2.229 8.883 1.00 15.01 C ATOM 6 CG MET A 1 8.252 1.076 7.926 1.00 41.33 C ATOM 7 SD MET A 1 6.716 1.288 7.005 1.00 13.42 S ATOM 8 CE MET A 1 6.716 -0.199 6.005 1.00 42.20 C ATOM 0 H1 MET A 1 9.181 3.240 11.259 1.00 31.30 H new ATOM 0 H2 MET A 1 10.870 3.110 11.141 1.00 31.30 H new ATOM 0 H3 MET A 1 10.020 4.119 10.073 1.00 31.30 H new ATOM 0 HA MET A 1 9.815 1.166 10.226 1.00 72.52 H new ATOM 0 HB2 MET A 1 7.697 2.299 9.593 1.00 15.01 H new ATOM 0 HB3 MET A 1 8.536 3.161 8.318 1.00 15.01 H new ATOM 0 HG2 MET A 1 9.083 0.988 7.226 1.00 41.33 H new ATOM 0 HG3 MET A 1 8.209 0.143 8.489 1.00 41.33 H new ATOM 0 HE1 MET A 1 5.825 -0.215 5.377 1.00 42.20 H new ATOM 0 HE2 MET A 1 7.605 -0.213 5.374 1.00 42.20 H new ATOM 0 HE3 MET A 1 6.718 -1.074 6.655 1.00 42.20 H new ATOM 20 N ALA A 2 11.965 1.185 8.962 1.00 10.32 N ATOM 21 CA ALA A 2 13.150 1.062 8.129 1.00 3.40 C ATOM 22 C ALA A 2 12.886 0.151 6.941 1.00 70.52 C ATOM 23 O ALA A 2 12.759 -1.067 7.093 1.00 10.15 O ATOM 24 CB ALA A 2 14.320 0.540 8.944 1.00 22.50 C ATOM 0 H ALA A 2 11.941 0.545 9.756 1.00 10.32 H new ATOM 0 HA ALA A 2 13.402 2.053 7.750 1.00 3.40 H new ATOM 0 HB1 ALA A 2 15.199 0.454 8.305 1.00 22.50 H new ATOM 0 HB2 ALA A 2 14.531 1.230 9.761 1.00 22.50 H new ATOM 0 HB3 ALA A 2 14.071 -0.440 9.352 1.00 22.50 H new ATOM 30 N HIS A 3 12.771 0.750 5.768 1.00 53.21 N ATOM 31 CA HIS A 3 12.550 0.006 4.539 1.00 4.03 C ATOM 32 C HIS A 3 13.239 0.736 3.387 1.00 34.44 C ATOM 33 O HIS A 3 12.782 0.717 2.243 1.00 33.52 O ATOM 34 CB HIS A 3 11.042 -0.134 4.288 1.00 44.24 C ATOM 35 CG HIS A 3 10.687 -1.101 3.199 1.00 2.52 C ATOM 36 ND1 HIS A 3 10.792 -2.467 3.337 1.00 60.13 N ATOM 37 CD2 HIS A 3 10.222 -0.887 1.947 1.00 22.45 C ATOM 38 CE1 HIS A 3 10.406 -3.051 2.217 1.00 13.11 C ATOM 39 NE2 HIS A 3 10.054 -2.115 1.359 1.00 63.14 N ATOM 0 H HIS A 3 12.828 1.760 5.640 1.00 53.21 H new ATOM 0 HA HIS A 3 12.973 -0.995 4.619 1.00 4.03 H new ATOM 0 HB2 HIS A 3 10.559 -0.452 5.212 1.00 44.24 H new ATOM 0 HB3 HIS A 3 10.635 0.845 4.036 1.00 44.24 H new ATOM 0 HD2 HIS A 3 10.020 0.073 1.494 1.00 22.45 H new ATOM 0 HE1 HIS A 3 10.383 -4.115 2.035 1.00 13.11 H new ATOM 0 HE2 HIS A 3 9.712 -2.277 0.412 1.00 63.14 H new ATOM 48 N HIS A 4 14.358 1.373 3.710 1.00 3.12 N ATOM 49 CA HIS A 4 15.110 2.160 2.740 1.00 2.34 C ATOM 50 C HIS A 4 15.688 1.268 1.655 1.00 22.31 C ATOM 51 O HIS A 4 16.217 0.189 1.932 1.00 14.33 O ATOM 52 CB HIS A 4 16.234 2.944 3.426 1.00 24.23 C ATOM 53 CG HIS A 4 15.745 4.069 4.287 1.00 13.20 C ATOM 54 ND1 HIS A 4 15.727 4.015 5.663 1.00 50.01 N ATOM 55 CD2 HIS A 4 15.258 5.290 3.957 1.00 64.52 C ATOM 56 CE1 HIS A 4 15.249 5.150 6.140 1.00 62.12 C ATOM 57 NE2 HIS A 4 14.958 5.940 5.127 1.00 64.34 N ATOM 0 H HIS A 4 14.767 1.359 4.644 1.00 3.12 H new ATOM 0 HA HIS A 4 14.421 2.869 2.281 1.00 2.34 H new ATOM 0 HB2 HIS A 4 16.822 2.259 4.037 1.00 24.23 H new ATOM 0 HB3 HIS A 4 16.902 3.345 2.664 1.00 24.23 H new ATOM 0 HD2 HIS A 4 15.130 5.679 2.958 1.00 64.52 H new ATOM 0 HE1 HIS A 4 15.119 5.390 7.185 1.00 62.12 H new ATOM 0 HE2 HIS A 4 14.572 6.881 5.201 1.00 64.34 H new ATOM 66 N HIS A 5 15.579 1.719 0.418 1.00 11.22 N ATOM 67 CA HIS A 5 16.082 0.954 -0.707 1.00 51.02 C ATOM 68 C HIS A 5 17.507 1.371 -1.028 1.00 15.22 C ATOM 69 O HIS A 5 17.773 2.533 -1.340 1.00 31.41 O ATOM 70 CB HIS A 5 15.177 1.127 -1.928 1.00 14.33 C ATOM 71 CG HIS A 5 13.796 0.587 -1.718 1.00 25.22 C ATOM 72 ND1 HIS A 5 13.455 -0.723 -1.971 1.00 62.55 N ATOM 73 CD2 HIS A 5 12.674 1.183 -1.257 1.00 13.52 C ATOM 74 CE1 HIS A 5 12.184 -0.908 -1.676 1.00 1.11 C ATOM 75 NE2 HIS A 5 11.688 0.233 -1.241 1.00 70.04 N ATOM 0 H HIS A 5 15.148 2.609 0.168 1.00 11.22 H new ATOM 0 HA HIS A 5 16.082 -0.102 -0.437 1.00 51.02 H new ATOM 0 HB2 HIS A 5 15.112 2.186 -2.177 1.00 14.33 H new ATOM 0 HB3 HIS A 5 15.631 0.625 -2.783 1.00 14.33 H new ATOM 0 HD2 HIS A 5 12.574 2.216 -0.957 1.00 13.52 H new ATOM 0 HE1 HIS A 5 11.641 -1.837 -1.774 1.00 1.11 H new ATOM 0 HE2 HIS A 5 10.725 0.384 -0.941 1.00 70.04 H new ATOM 84 N HIS A 6 18.417 0.420 -0.925 1.00 73.23 N ATOM 85 CA HIS A 6 19.834 0.676 -1.162 1.00 30.02 C ATOM 86 C HIS A 6 20.259 0.103 -2.508 1.00 42.35 C ATOM 87 O HIS A 6 19.840 -0.991 -2.889 1.00 41.24 O ATOM 88 CB HIS A 6 20.697 0.102 -0.024 1.00 52.32 C ATOM 89 CG HIS A 6 20.337 -1.295 0.399 1.00 62.40 C ATOM 90 ND1 HIS A 6 19.629 -1.569 1.550 1.00 74.32 N ATOM 91 CD2 HIS A 6 20.584 -2.495 -0.180 1.00 25.11 C ATOM 92 CE1 HIS A 6 19.456 -2.872 1.659 1.00 72.21 C ATOM 93 NE2 HIS A 6 20.028 -3.458 0.624 1.00 42.30 N ATOM 0 H HIS A 6 18.202 -0.546 -0.677 1.00 73.23 H new ATOM 0 HA HIS A 6 19.987 1.755 -1.183 1.00 30.02 H new ATOM 0 HB2 HIS A 6 21.741 0.114 -0.338 1.00 52.32 H new ATOM 0 HB3 HIS A 6 20.617 0.760 0.841 1.00 52.32 H new ATOM 0 HD2 HIS A 6 21.119 -2.662 -1.103 1.00 25.11 H new ATOM 0 HE1 HIS A 6 18.934 -3.375 2.460 1.00 72.21 H new ATOM 0 HE2 HIS A 6 20.053 -4.463 0.450 1.00 42.30 H new ATOM 102 N HIS A 7 21.080 0.850 -3.224 1.00 22.21 N ATOM 103 CA HIS A 7 21.504 0.452 -4.554 1.00 3.01 C ATOM 104 C HIS A 7 23.013 0.607 -4.709 1.00 11.01 C ATOM 105 O HIS A 7 23.568 1.684 -4.486 1.00 50.15 O ATOM 106 CB HIS A 7 20.762 1.284 -5.608 1.00 43.11 C ATOM 107 CG HIS A 7 21.151 0.967 -7.020 1.00 3.12 C ATOM 108 ND1 HIS A 7 21.944 1.798 -7.783 1.00 22.13 N ATOM 109 CD2 HIS A 7 20.861 -0.097 -7.809 1.00 55.14 C ATOM 110 CE1 HIS A 7 22.124 1.259 -8.973 1.00 52.14 C ATOM 111 NE2 HIS A 7 21.482 0.111 -9.015 1.00 13.41 N ATOM 0 H HIS A 7 21.467 1.738 -2.905 1.00 22.21 H new ATOM 0 HA HIS A 7 21.259 -0.600 -4.700 1.00 3.01 H new ATOM 0 HB2 HIS A 7 19.690 1.125 -5.493 1.00 43.11 H new ATOM 0 HB3 HIS A 7 20.949 2.341 -5.419 1.00 43.11 H new ATOM 0 HD2 HIS A 7 20.255 -0.949 -7.539 1.00 55.14 H new ATOM 0 HE1 HIS A 7 22.702 1.688 -9.778 1.00 52.14 H new ATOM 0 HE2 HIS A 7 21.451 -0.522 -9.814 1.00 13.41 H new ATOM 120 N HIS A 8 23.667 -0.475 -5.092 1.00 3.44 N ATOM 121 CA HIS A 8 25.101 -0.469 -5.329 1.00 33.42 C ATOM 122 C HIS A 8 25.376 -0.097 -6.785 1.00 54.50 C ATOM 123 O HIS A 8 24.843 -0.724 -7.698 1.00 3.14 O ATOM 124 CB HIS A 8 25.688 -1.847 -4.996 1.00 20.13 C ATOM 125 CG HIS A 8 27.158 -1.972 -5.250 1.00 3.21 C ATOM 126 ND1 HIS A 8 28.118 -1.543 -4.362 1.00 41.13 N ATOM 127 CD2 HIS A 8 27.828 -2.500 -6.299 1.00 21.14 C ATOM 128 CE1 HIS A 8 29.316 -1.800 -4.853 1.00 24.41 C ATOM 129 NE2 HIS A 8 29.167 -2.382 -6.028 1.00 30.32 N ATOM 0 H HIS A 8 23.222 -1.380 -5.247 1.00 3.44 H new ATOM 0 HA HIS A 8 25.577 0.271 -4.686 1.00 33.42 H new ATOM 0 HB2 HIS A 8 25.493 -2.067 -3.946 1.00 20.13 H new ATOM 0 HB3 HIS A 8 25.165 -2.602 -5.582 1.00 20.13 H new ATOM 0 HD1 HIS A 8 27.933 -1.096 -3.464 1.00 41.13 H new ATOM 0 HD2 HIS A 8 27.390 -2.934 -7.186 1.00 21.14 H new ATOM 0 HE1 HIS A 8 30.257 -1.573 -4.375 1.00 24.41 H new ATOM 138 N MET A 9 26.205 0.919 -6.993 1.00 71.00 N ATOM 139 CA MET A 9 26.488 1.415 -8.337 1.00 3.32 C ATOM 140 C MET A 9 27.466 0.502 -9.063 1.00 71.25 C ATOM 141 O MET A 9 27.213 0.081 -10.191 1.00 3.00 O ATOM 142 CB MET A 9 27.054 2.834 -8.275 1.00 33.25 C ATOM 143 CG MET A 9 26.098 3.849 -7.669 1.00 73.22 C ATOM 144 SD MET A 9 26.805 5.507 -7.595 1.00 11.15 S ATOM 145 CE MET A 9 25.434 6.418 -6.885 1.00 20.10 C ATOM 0 H MET A 9 26.694 1.417 -6.249 1.00 71.00 H new ATOM 0 HA MET A 9 25.550 1.428 -8.892 1.00 3.32 H new ATOM 0 HB2 MET A 9 27.975 2.823 -7.692 1.00 33.25 H new ATOM 0 HB3 MET A 9 27.318 3.154 -9.283 1.00 33.25 H new ATOM 0 HG2 MET A 9 25.180 3.875 -8.257 1.00 73.22 H new ATOM 0 HG3 MET A 9 25.824 3.529 -6.664 1.00 73.22 H new ATOM 0 HE1 MET A 9 25.712 7.466 -6.774 1.00 20.10 H new ATOM 0 HE2 MET A 9 24.567 6.340 -7.541 1.00 20.10 H new ATOM 0 HE3 MET A 9 25.188 6.002 -5.908 1.00 20.10 H new ATOM 155 N GLY A 10 28.579 0.201 -8.409 1.00 22.52 N ATOM 156 CA GLY A 10 29.571 -0.669 -9.002 1.00 14.40 C ATOM 157 C GLY A 10 30.972 -0.361 -8.516 1.00 40.33 C ATOM 158 O GLY A 10 31.326 0.804 -8.312 1.00 35.12 O ATOM 0 H GLY A 10 28.812 0.545 -7.477 1.00 22.52 H new ATOM 0 HA2 GLY A 10 29.328 -1.706 -8.768 1.00 14.40 H new ATOM 0 HA3 GLY A 10 29.535 -0.570 -10.087 1.00 14.40 H new ATOM 162 N THR A 11 31.759 -1.405 -8.307 1.00 52.10 N ATOM 163 CA THR A 11 33.148 -1.262 -7.895 1.00 35.34 C ATOM 164 C THR A 11 34.053 -2.145 -8.750 1.00 51.44 C ATOM 165 O THR A 11 33.727 -3.304 -9.018 1.00 73.30 O ATOM 166 CB THR A 11 33.327 -1.625 -6.404 1.00 31.41 C ATOM 167 OG1 THR A 11 32.571 -2.804 -6.088 1.00 20.30 O ATOM 168 CG2 THR A 11 32.892 -0.476 -5.506 1.00 11.31 C ATOM 0 H THR A 11 31.455 -2.372 -8.418 1.00 52.10 H new ATOM 0 HA THR A 11 33.429 -0.218 -8.035 1.00 35.34 H new ATOM 0 HB THR A 11 34.385 -1.817 -6.227 1.00 31.41 H new ATOM 0 HG1 THR A 11 31.617 -2.583 -6.061 1.00 20.30 H new ATOM 0 HG21 THR A 11 33.028 -0.758 -4.462 1.00 11.31 H new ATOM 0 HG22 THR A 11 33.495 0.405 -5.725 1.00 11.31 H new ATOM 0 HG23 THR A 11 31.841 -0.251 -5.687 1.00 11.31 H new ATOM 176 N LEU A 12 35.178 -1.591 -9.187 1.00 52.30 N ATOM 177 CA LEU A 12 36.118 -2.316 -10.033 1.00 23.41 C ATOM 178 C LEU A 12 37.517 -1.739 -9.865 1.00 40.33 C ATOM 179 O LEU A 12 37.677 -0.542 -9.625 1.00 4.22 O ATOM 180 CB LEU A 12 35.702 -2.258 -11.516 1.00 5.45 C ATOM 181 CG LEU A 12 35.766 -0.876 -12.188 1.00 25.55 C ATOM 182 CD1 LEU A 12 35.726 -1.025 -13.700 1.00 14.02 C ATOM 183 CD2 LEU A 12 34.620 0.016 -11.729 1.00 1.13 C ATOM 0 H LEU A 12 35.462 -0.636 -8.968 1.00 52.30 H new ATOM 0 HA LEU A 12 36.113 -3.361 -9.723 1.00 23.41 H new ATOM 0 HB2 LEU A 12 36.340 -2.941 -12.077 1.00 5.45 H new ATOM 0 HB3 LEU A 12 34.682 -2.632 -11.600 1.00 5.45 H new ATOM 0 HG LEU A 12 36.705 -0.406 -11.894 1.00 25.55 H new ATOM 0 HD11 LEU A 12 35.772 -0.040 -14.164 1.00 14.02 H new ATOM 0 HD12 LEU A 12 36.577 -1.621 -14.029 1.00 14.02 H new ATOM 0 HD13 LEU A 12 34.800 -1.521 -13.992 1.00 14.02 H new ATOM 0 HD21 LEU A 12 34.694 0.985 -12.222 1.00 1.13 H new ATOM 0 HD22 LEU A 12 33.670 -0.451 -11.987 1.00 1.13 H new ATOM 0 HD23 LEU A 12 34.676 0.153 -10.649 1.00 1.13 H new ATOM 195 N GLU A 13 38.526 -2.588 -9.986 1.00 74.14 N ATOM 196 CA GLU A 13 39.905 -2.153 -9.836 1.00 34.10 C ATOM 197 C GLU A 13 40.501 -1.790 -11.193 1.00 14.22 C ATOM 198 O GLU A 13 40.760 -2.658 -12.023 1.00 21.12 O ATOM 199 CB GLU A 13 40.746 -3.239 -9.163 1.00 11.23 C ATOM 200 CG GLU A 13 40.174 -3.720 -7.839 1.00 71.31 C ATOM 201 CD GLU A 13 39.886 -2.586 -6.874 1.00 62.32 C ATOM 202 OE1 GLU A 13 40.842 -2.007 -6.318 1.00 5.31 O ATOM 203 OE2 GLU A 13 38.694 -2.268 -6.668 1.00 45.51 O ATOM 0 H GLU A 13 38.415 -3.582 -10.188 1.00 74.14 H new ATOM 0 HA GLU A 13 39.914 -1.267 -9.201 1.00 34.10 H new ATOM 0 HB2 GLU A 13 40.836 -4.088 -9.840 1.00 11.23 H new ATOM 0 HB3 GLU A 13 41.753 -2.856 -8.996 1.00 11.23 H new ATOM 0 HG2 GLU A 13 39.254 -4.274 -8.026 1.00 71.31 H new ATOM 0 HG3 GLU A 13 40.875 -4.414 -7.377 1.00 71.31 H new ATOM 210 N ALA A 14 40.689 -0.500 -11.417 1.00 24.43 N ATOM 211 CA ALA A 14 41.226 -0.007 -12.680 1.00 51.55 C ATOM 212 C ALA A 14 42.745 0.156 -12.632 1.00 31.55 C ATOM 213 O ALA A 14 43.372 0.447 -13.651 1.00 43.41 O ATOM 214 CB ALA A 14 40.568 1.317 -13.041 1.00 50.05 C ATOM 0 H ALA A 14 40.477 0.231 -10.738 1.00 24.43 H new ATOM 0 HA ALA A 14 41.002 -0.748 -13.447 1.00 51.55 H new ATOM 0 HB1 ALA A 14 40.974 1.679 -13.985 1.00 50.05 H new ATOM 0 HB2 ALA A 14 39.492 1.174 -13.140 1.00 50.05 H new ATOM 0 HB3 ALA A 14 40.766 2.048 -12.257 1.00 50.05 H new ATOM 220 N GLN A 15 43.326 -0.030 -11.447 1.00 33.24 N ATOM 221 CA GLN A 15 44.746 0.264 -11.218 1.00 64.21 C ATOM 222 C GLN A 15 45.659 -0.528 -12.151 1.00 43.12 C ATOM 223 O GLN A 15 46.523 0.057 -12.810 1.00 24.22 O ATOM 224 CB GLN A 15 45.141 -0.032 -9.766 1.00 51.11 C ATOM 225 CG GLN A 15 44.282 0.675 -8.727 1.00 1.33 C ATOM 226 CD GLN A 15 44.154 2.165 -8.973 1.00 51.10 C ATOM 227 OE1 GLN A 15 43.227 2.615 -9.646 1.00 41.24 O ATOM 228 NE2 GLN A 15 45.079 2.941 -8.430 1.00 50.14 N ATOM 0 H GLN A 15 42.835 -0.384 -10.626 1.00 33.24 H new ATOM 0 HA GLN A 15 44.876 1.326 -11.427 1.00 64.21 H new ATOM 0 HB2 GLN A 15 45.083 -1.107 -9.598 1.00 51.11 H new ATOM 0 HB3 GLN A 15 46.181 0.258 -9.618 1.00 51.11 H new ATOM 0 HG2 GLN A 15 43.288 0.227 -8.721 1.00 1.33 H new ATOM 0 HG3 GLN A 15 44.711 0.512 -7.738 1.00 1.33 H new ATOM 0 HE21 GLN A 15 45.831 2.528 -7.879 1.00 50.14 H new ATOM 0 HE22 GLN A 15 45.039 3.952 -8.563 1.00 50.14 H new ATOM 237 N THR A 16 45.458 -1.849 -12.197 1.00 41.03 N ATOM 238 CA THR A 16 46.318 -2.765 -12.956 1.00 65.25 C ATOM 239 C THR A 16 47.798 -2.516 -12.658 1.00 71.02 C ATOM 240 O THR A 16 48.638 -2.490 -13.562 1.00 60.01 O ATOM 241 CB THR A 16 46.063 -2.695 -14.484 1.00 60.03 C ATOM 242 OG1 THR A 16 46.169 -1.349 -14.958 1.00 34.23 O ATOM 243 CG2 THR A 16 44.688 -3.249 -14.826 1.00 13.02 C ATOM 0 H THR A 16 44.693 -2.315 -11.708 1.00 41.03 H new ATOM 0 HA THR A 16 46.056 -3.770 -12.626 1.00 65.25 H new ATOM 0 HB THR A 16 46.823 -3.302 -14.975 1.00 60.03 H new ATOM 0 HG1 THR A 16 46.681 -0.815 -14.315 1.00 34.23 H new ATOM 0 HG21 THR A 16 44.530 -3.190 -15.903 1.00 13.02 H new ATOM 0 HG22 THR A 16 44.625 -4.289 -14.506 1.00 13.02 H new ATOM 0 HG23 THR A 16 43.923 -2.665 -14.314 1.00 13.02 H new ATOM 251 N GLN A 17 48.111 -2.347 -11.378 1.00 22.33 N ATOM 252 CA GLN A 17 49.479 -2.104 -10.946 1.00 61.30 C ATOM 253 C GLN A 17 50.219 -3.432 -10.803 1.00 25.31 C ATOM 254 O GLN A 17 49.729 -4.354 -10.149 1.00 50.42 O ATOM 255 CB GLN A 17 49.485 -1.332 -9.621 1.00 15.34 C ATOM 256 CG GLN A 17 50.873 -1.102 -9.043 1.00 22.51 C ATOM 257 CD GLN A 17 50.839 -0.272 -7.775 1.00 60.11 C ATOM 258 OE1 GLN A 17 50.716 -0.803 -6.669 1.00 34.14 O ATOM 259 NE2 GLN A 17 50.964 1.036 -7.920 1.00 40.42 N ATOM 0 H GLN A 17 47.430 -2.374 -10.619 1.00 22.33 H new ATOM 0 HA GLN A 17 49.991 -1.500 -11.695 1.00 61.30 H new ATOM 0 HB2 GLN A 17 49.002 -0.367 -9.773 1.00 15.34 H new ATOM 0 HB3 GLN A 17 48.885 -1.877 -8.892 1.00 15.34 H new ATOM 0 HG2 GLN A 17 51.340 -2.064 -8.832 1.00 22.51 H new ATOM 0 HG3 GLN A 17 51.495 -0.602 -9.785 1.00 22.51 H new ATOM 0 HE21 GLN A 17 51.064 1.439 -8.852 1.00 40.42 H new ATOM 0 HE22 GLN A 17 50.961 1.643 -7.100 1.00 40.42 H new ATOM 268 N GLY A 18 51.386 -3.529 -11.429 1.00 54.52 N ATOM 269 CA GLY A 18 52.153 -4.760 -11.390 1.00 41.03 C ATOM 270 C GLY A 18 53.031 -4.867 -10.156 1.00 22.24 C ATOM 271 O GLY A 18 52.748 -4.243 -9.133 1.00 20.24 O ATOM 0 H GLY A 18 51.816 -2.775 -11.964 1.00 54.52 H new ATOM 0 HA2 GLY A 18 51.470 -5.609 -11.419 1.00 41.03 H new ATOM 0 HA3 GLY A 18 52.777 -4.822 -12.281 1.00 41.03 H new ATOM 275 N PRO A 19 54.112 -5.658 -10.225 1.00 33.34 N ATOM 276 CA PRO A 19 55.020 -5.860 -9.095 1.00 31.13 C ATOM 277 C PRO A 19 55.849 -4.612 -8.793 1.00 41.42 C ATOM 278 O PRO A 19 56.745 -4.250 -9.560 1.00 3.40 O ATOM 279 CB PRO A 19 55.936 -7.009 -9.552 1.00 70.14 C ATOM 280 CG PRO A 19 55.310 -7.554 -10.794 1.00 72.05 C ATOM 281 CD PRO A 19 54.539 -6.419 -11.403 1.00 70.34 C ATOM 0 HA PRO A 19 54.475 -6.079 -8.177 1.00 31.13 H new ATOM 0 HB2 PRO A 19 56.946 -6.650 -9.748 1.00 70.14 H new ATOM 0 HB3 PRO A 19 56.014 -7.777 -8.783 1.00 70.14 H new ATOM 0 HG2 PRO A 19 56.069 -7.924 -11.483 1.00 72.05 H new ATOM 0 HG3 PRO A 19 54.653 -8.393 -10.564 1.00 72.05 H new ATOM 0 HD2 PRO A 19 55.158 -5.820 -12.071 1.00 70.34 H new ATOM 0 HD3 PRO A 19 53.690 -6.773 -11.988 1.00 70.34 H new ATOM 289 N GLY A 20 55.533 -3.954 -7.683 1.00 42.43 N ATOM 290 CA GLY A 20 56.281 -2.783 -7.272 1.00 42.52 C ATOM 291 C GLY A 20 57.601 -3.155 -6.631 1.00 34.14 C ATOM 292 O GLY A 20 57.741 -3.108 -5.408 1.00 3.12 O ATOM 0 H GLY A 20 54.769 -4.213 -7.059 1.00 42.43 H new ATOM 0 HA2 GLY A 20 56.464 -2.146 -8.138 1.00 42.52 H new ATOM 0 HA3 GLY A 20 55.687 -2.201 -6.568 1.00 42.52 H new ATOM 296 N SER A 21 58.559 -3.546 -7.454 1.00 51.21 N ATOM 297 CA SER A 21 59.861 -3.967 -6.973 1.00 11.04 C ATOM 298 C SER A 21 60.660 -2.758 -6.483 1.00 35.04 C ATOM 299 O SER A 21 61.187 -1.980 -7.278 1.00 4.22 O ATOM 300 CB SER A 21 60.610 -4.693 -8.090 1.00 32.11 C ATOM 301 OG SER A 21 61.697 -5.446 -7.588 1.00 22.41 O ATOM 0 H SER A 21 58.456 -3.580 -8.468 1.00 51.21 H new ATOM 0 HA SER A 21 59.731 -4.651 -6.134 1.00 11.04 H new ATOM 0 HB2 SER A 21 59.923 -5.354 -8.619 1.00 32.11 H new ATOM 0 HB3 SER A 21 60.975 -3.966 -8.815 1.00 32.11 H new ATOM 0 HG SER A 21 61.722 -6.320 -8.031 1.00 22.41 H new ATOM 307 N MET A 22 60.717 -2.590 -5.168 1.00 30.13 N ATOM 308 CA MET A 22 61.424 -1.465 -4.567 1.00 60.01 C ATOM 309 C MET A 22 62.915 -1.756 -4.466 1.00 54.52 C ATOM 310 O MET A 22 63.748 -0.901 -4.771 1.00 74.13 O ATOM 311 CB MET A 22 60.851 -1.157 -3.180 1.00 14.21 C ATOM 312 CG MET A 22 59.412 -0.665 -3.209 1.00 23.45 C ATOM 313 SD MET A 22 58.765 -0.311 -1.563 1.00 44.33 S ATOM 314 CE MET A 22 57.140 0.322 -1.972 1.00 14.41 C ATOM 0 H MET A 22 60.281 -3.220 -4.495 1.00 30.13 H new ATOM 0 HA MET A 22 61.286 -0.594 -5.207 1.00 60.01 H new ATOM 0 HB2 MET A 22 60.906 -2.056 -2.566 1.00 14.21 H new ATOM 0 HB3 MET A 22 61.474 -0.403 -2.698 1.00 14.21 H new ATOM 0 HG2 MET A 22 59.352 0.236 -3.820 1.00 23.45 H new ATOM 0 HG3 MET A 22 58.785 -1.417 -3.688 1.00 23.45 H new ATOM 0 HE1 MET A 22 56.612 0.587 -1.056 1.00 14.41 H new ATOM 0 HE2 MET A 22 57.242 1.206 -2.601 1.00 14.41 H new ATOM 0 HE3 MET A 22 56.576 -0.442 -2.508 1.00 14.41 H new ATOM 324 N ASN A 23 63.249 -2.967 -4.038 1.00 63.33 N ATOM 325 CA ASN A 23 64.645 -3.371 -3.917 1.00 1.44 C ATOM 326 C ASN A 23 65.149 -3.865 -5.269 1.00 61.42 C ATOM 327 O ASN A 23 64.348 -4.195 -6.138 1.00 22.33 O ATOM 328 CB ASN A 23 64.796 -4.464 -2.858 1.00 31.12 C ATOM 329 CG ASN A 23 66.245 -4.739 -2.499 1.00 65.24 C ATOM 330 OD1 ASN A 23 66.625 -5.877 -2.241 1.00 53.02 O ATOM 331 ND2 ASN A 23 67.059 -3.696 -2.454 1.00 62.12 N ATOM 0 H ASN A 23 62.575 -3.684 -3.770 1.00 63.33 H new ATOM 0 HA ASN A 23 65.240 -2.513 -3.605 1.00 1.44 H new ATOM 0 HB2 ASN A 23 64.253 -4.170 -1.959 1.00 31.12 H new ATOM 0 HB3 ASN A 23 64.336 -5.383 -3.222 1.00 31.12 H new ATOM 0 HD21 ASN A 23 68.038 -3.824 -2.198 1.00 62.12 H new ATOM 0 HD22 ASN A 23 66.707 -2.765 -2.675 1.00 62.12 H new ATOM 338 N ASP A 24 66.462 -3.913 -5.447 1.00 62.13 N ATOM 339 CA ASP A 24 67.052 -4.258 -6.739 1.00 23.32 C ATOM 340 C ASP A 24 66.936 -5.751 -7.051 1.00 42.10 C ATOM 341 O ASP A 24 67.795 -6.557 -6.687 1.00 73.01 O ATOM 342 CB ASP A 24 68.517 -3.801 -6.807 1.00 15.43 C ATOM 343 CG ASP A 24 69.357 -4.306 -5.646 1.00 21.21 C ATOM 344 OD1 ASP A 24 69.236 -3.746 -4.536 1.00 24.33 O ATOM 345 OD2 ASP A 24 70.145 -5.260 -5.834 1.00 44.21 O ATOM 0 H ASP A 24 67.143 -3.717 -4.713 1.00 62.13 H new ATOM 0 HA ASP A 24 66.483 -3.727 -7.502 1.00 23.32 H new ATOM 0 HB2 ASP A 24 68.956 -4.148 -7.742 1.00 15.43 H new ATOM 0 HB3 ASP A 24 68.550 -2.712 -6.824 1.00 15.43 H new ATOM 350 N TYR A 25 65.847 -6.114 -7.705 1.00 42.41 N ATOM 351 CA TYR A 25 65.651 -7.468 -8.193 1.00 12.14 C ATOM 352 C TYR A 25 65.285 -7.437 -9.668 1.00 32.30 C ATOM 353 O TYR A 25 64.981 -6.374 -10.215 1.00 32.03 O ATOM 354 CB TYR A 25 64.570 -8.199 -7.400 1.00 42.40 C ATOM 355 CG TYR A 25 65.003 -8.633 -6.017 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.607 -9.868 -5.811 1.00 12.22 C ATOM 357 CD2 TYR A 25 64.801 -7.813 -4.918 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.997 -10.271 -4.547 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.189 -8.207 -3.652 1.00 35.34 C ATOM 360 CZ TYR A 25 65.785 -9.436 -3.471 1.00 72.10 C ATOM 361 OH TYR A 25 66.166 -9.830 -2.208 1.00 54.31 O ATOM 0 H TYR A 25 65.075 -5.480 -7.913 1.00 42.41 H new ATOM 0 HA TYR A 25 66.586 -8.012 -8.061 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.700 -7.549 -7.309 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.254 -9.078 -7.962 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.775 -10.524 -6.653 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.332 -6.850 -5.054 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.465 -11.234 -4.404 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.026 -7.554 -2.807 1.00 35.34 H new ATOM 0 HH TYR A 25 65.946 -9.124 -1.565 1.00 54.31 H new ATOM 371 N LYS A 26 65.330 -8.588 -10.317 1.00 31.42 N ATOM 372 CA LYS A 26 64.943 -8.677 -11.714 1.00 10.43 C ATOM 373 C LYS A 26 63.585 -9.352 -11.839 1.00 64.22 C ATOM 374 O LYS A 26 63.166 -10.101 -10.951 1.00 33.23 O ATOM 375 CB LYS A 26 65.985 -9.452 -12.539 1.00 44.31 C ATOM 376 CG LYS A 26 67.360 -8.799 -12.593 1.00 40.14 C ATOM 377 CD LYS A 26 68.187 -9.131 -11.364 1.00 14.02 C ATOM 378 CE LYS A 26 69.450 -8.292 -11.288 1.00 14.41 C ATOM 379 NZ LYS A 26 70.356 -8.510 -12.448 1.00 2.34 N ATOM 0 H LYS A 26 65.629 -9.470 -9.901 1.00 31.42 H new ATOM 0 HA LYS A 26 64.884 -7.662 -12.107 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.088 -10.454 -12.122 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.611 -9.568 -13.556 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.887 -9.133 -13.487 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.247 -7.718 -12.674 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.588 -8.967 -10.468 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.454 -10.188 -11.380 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.178 -7.238 -11.238 1.00 14.41 H new ATOM 0 HE3 LYS A 26 69.983 -8.528 -10.367 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.224 -7.952 -12.320 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.599 -9.519 -12.514 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.878 -8.212 -13.322 1.00 2.34 H new ATOM 393 N LEU A 27 62.897 -9.072 -12.932 1.00 10.35 N ATOM 394 CA LEU A 27 61.651 -9.745 -13.232 1.00 63.42 C ATOM 395 C LEU A 27 61.825 -10.605 -14.474 1.00 12.52 C ATOM 396 O LEU A 27 62.378 -10.166 -15.484 1.00 23.11 O ATOM 397 CB LEU A 27 60.491 -8.741 -13.392 1.00 14.35 C ATOM 398 CG LEU A 27 60.626 -7.704 -14.515 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.030 -8.223 -15.817 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.958 -6.399 -14.114 1.00 64.32 C ATOM 0 H LEU A 27 63.183 -8.381 -13.626 1.00 10.35 H new ATOM 0 HA LEU A 27 61.389 -10.391 -12.394 1.00 63.42 H new ATOM 0 HB2 LEU A 27 59.573 -9.305 -13.559 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.370 -8.208 -12.449 1.00 14.35 H new ATOM 0 HG LEU A 27 61.688 -7.521 -14.678 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.140 -7.467 -16.594 1.00 23.04 H new ATOM 0 HD12 LEU A 27 60.550 -9.132 -16.119 1.00 23.04 H new ATOM 0 HD13 LEU A 27 58.972 -8.442 -15.671 1.00 23.04 H new ATOM 0 HD21 LEU A 27 60.062 -5.674 -14.921 1.00 64.32 H new ATOM 0 HD22 LEU A 27 58.900 -6.576 -13.920 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.432 -6.010 -13.213 1.00 64.32 H new ATOM 412 N PHE A 28 61.397 -11.842 -14.380 1.00 1.00 N ATOM 413 CA PHE A 28 61.467 -12.759 -15.496 1.00 50.25 C ATOM 414 C PHE A 28 60.120 -12.801 -16.185 1.00 32.34 C ATOM 415 O PHE A 28 59.134 -13.262 -15.613 1.00 14.13 O ATOM 416 CB PHE A 28 61.883 -14.151 -15.016 1.00 13.43 C ATOM 417 CG PHE A 28 63.254 -14.176 -14.408 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.445 -13.836 -13.077 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.357 -14.525 -15.168 1.00 54.21 C ATOM 420 CE1 PHE A 28 64.708 -13.846 -12.519 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.622 -14.536 -14.615 1.00 45.12 C ATOM 422 CZ PHE A 28 65.797 -14.195 -13.289 1.00 30.44 C ATOM 0 H PHE A 28 60.992 -12.241 -13.533 1.00 1.00 H new ATOM 0 HA PHE A 28 62.219 -12.417 -16.207 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.160 -14.508 -14.283 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.852 -14.844 -15.857 1.00 13.43 H new ATOM 0 HD1 PHE A 28 62.596 -13.560 -12.470 1.00 13.32 H new ATOM 0 HD2 PHE A 28 64.226 -14.792 -16.206 1.00 54.21 H new ATOM 0 HE1 PHE A 28 64.843 -13.581 -11.481 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.474 -14.811 -15.219 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.786 -14.202 -12.855 1.00 30.44 H new ATOM 432 N ARG A 29 60.077 -12.302 -17.402 1.00 72.21 N ATOM 433 CA ARG A 29 58.822 -12.176 -18.114 1.00 15.21 C ATOM 434 C ARG A 29 58.663 -13.295 -19.127 1.00 74.30 C ATOM 435 O ARG A 29 59.591 -13.609 -19.874 1.00 12.12 O ATOM 436 CB ARG A 29 58.733 -10.814 -18.801 1.00 53.45 C ATOM 437 CG ARG A 29 57.417 -10.582 -19.520 1.00 41.44 C ATOM 438 CD ARG A 29 57.318 -9.163 -20.052 1.00 1.41 C ATOM 439 NE ARG A 29 56.126 -8.967 -20.877 1.00 42.11 N ATOM 440 CZ ARG A 29 55.282 -7.941 -20.739 1.00 34.34 C ATOM 441 NH1 ARG A 29 55.448 -7.061 -19.756 1.00 14.43 N ATOM 442 NH2 ARG A 29 54.259 -7.807 -21.577 1.00 21.35 N ATOM 0 H ARG A 29 60.894 -11.977 -17.919 1.00 72.21 H new ATOM 0 HA ARG A 29 58.009 -12.253 -17.392 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.874 -10.031 -18.056 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.550 -10.723 -19.517 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.322 -11.289 -20.344 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.589 -10.775 -18.838 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.299 -8.463 -19.216 1.00 1.41 H new ATOM 0 HD3 ARG A 29 58.207 -8.934 -20.640 1.00 1.41 H new ATOM 0 HE ARG A 29 55.927 -9.656 -21.602 1.00 42.11 H new ATOM 0 HH11 ARG A 29 56.223 -7.167 -19.102 1.00 14.43 H new ATOM 0 HH12 ARG A 29 54.800 -6.280 -19.656 1.00 14.43 H new ATOM 0 HH21 ARG A 29 54.119 -8.487 -22.324 1.00 21.35 H new ATOM 0 HH22 ARG A 29 53.614 -7.024 -21.473 1.00 21.35 H new ATOM 456 N CYS A 30 57.490 -13.912 -19.113 1.00 53.14 N ATOM 457 CA CYS A 30 57.148 -14.944 -20.070 1.00 13.35 C ATOM 458 C CYS A 30 56.781 -14.310 -21.404 1.00 23.11 C ATOM 459 O CYS A 30 55.995 -13.365 -21.453 1.00 13.32 O ATOM 460 CB CYS A 30 55.978 -15.782 -19.545 1.00 24.13 C ATOM 461 SG CYS A 30 55.487 -17.151 -20.623 1.00 1.33 S ATOM 0 H CYS A 30 56.753 -13.709 -18.438 1.00 53.14 H new ATOM 0 HA CYS A 30 58.010 -15.596 -20.212 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.246 -16.184 -18.568 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.119 -15.128 -19.396 1.00 24.13 H new ATOM 466 N ILE A 31 57.344 -14.841 -22.477 1.00 13.20 N ATOM 467 CA ILE A 31 57.129 -14.299 -23.810 1.00 62.43 C ATOM 468 C ILE A 31 55.858 -14.861 -24.439 1.00 64.12 C ATOM 469 O ILE A 31 55.342 -14.315 -25.413 1.00 21.10 O ATOM 470 CB ILE A 31 58.329 -14.591 -24.736 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.535 -16.102 -24.895 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.586 -13.929 -24.190 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.649 -16.473 -25.850 1.00 74.30 C ATOM 0 H ILE A 31 57.959 -15.654 -22.450 1.00 13.20 H new ATOM 0 HA ILE A 31 57.022 -13.220 -23.699 1.00 62.43 H new ATOM 0 HB ILE A 31 58.118 -14.175 -25.721 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.749 -16.534 -23.918 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.605 -16.550 -25.245 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.426 -14.142 -24.851 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.434 -12.851 -24.132 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.800 -14.319 -23.195 1.00 12.21 H new ATOM 0 HD11 ILE A 31 59.732 -17.558 -25.908 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.429 -16.072 -26.839 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.590 -16.056 -25.491 1.00 74.30 H new ATOM 485 N GLN A 32 55.351 -15.947 -23.868 1.00 51.33 N ATOM 486 CA GLN A 32 54.166 -16.602 -24.405 1.00 23.44 C ATOM 487 C GLN A 32 52.903 -15.826 -24.058 1.00 13.04 C ATOM 488 O GLN A 32 51.926 -15.851 -24.804 1.00 35.13 O ATOM 489 CB GLN A 32 54.043 -18.034 -23.877 1.00 55.24 C ATOM 490 CG GLN A 32 55.155 -18.966 -24.337 1.00 33.15 C ATOM 491 CD GLN A 32 55.271 -19.052 -25.849 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.292 -18.880 -26.578 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.469 -19.334 -26.332 1.00 22.30 N ATOM 0 H GLN A 32 55.741 -16.391 -23.036 1.00 51.33 H new ATOM 0 HA GLN A 32 54.277 -16.630 -25.489 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.033 -18.008 -22.787 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.085 -18.445 -24.194 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.103 -18.622 -23.925 1.00 33.15 H new ATOM 0 HG3 GLN A 32 54.975 -19.963 -23.935 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.256 -19.470 -25.697 1.00 22.30 H new ATOM 0 HE22 GLN A 32 56.606 -19.416 -27.339 1.00 22.30 H new ATOM 502 N CYS A 33 52.921 -15.130 -22.929 1.00 2.20 N ATOM 503 CA CYS A 33 51.726 -14.434 -22.466 1.00 22.24 C ATOM 504 C CYS A 33 52.050 -13.048 -21.921 1.00 72.42 C ATOM 505 O CYS A 33 51.368 -12.074 -22.236 1.00 22.31 O ATOM 506 CB CYS A 33 51.009 -15.272 -21.405 1.00 41.11 C ATOM 507 SG CYS A 33 52.064 -15.804 -20.035 1.00 25.30 S ATOM 0 H CYS A 33 53.736 -15.032 -22.324 1.00 2.20 H new ATOM 0 HA CYS A 33 51.067 -14.299 -23.324 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.177 -14.693 -21.004 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.583 -16.154 -21.883 1.00 41.11 H new ATOM 512 N GLY A 34 53.096 -12.959 -21.115 1.00 75.22 N ATOM 513 CA GLY A 34 53.462 -11.687 -20.525 1.00 61.15 C ATOM 514 C GLY A 34 53.552 -11.755 -19.016 1.00 41.20 C ATOM 515 O GLY A 34 53.693 -10.732 -18.354 1.00 65.41 O ATOM 0 H GLY A 34 53.697 -13.742 -20.859 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.422 -11.365 -20.929 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.727 -10.933 -20.809 1.00 61.15 H new ATOM 519 N PHE A 35 53.467 -12.969 -18.478 1.00 44.34 N ATOM 520 CA PHE A 35 53.583 -13.191 -17.040 1.00 63.14 C ATOM 521 C PHE A 35 54.956 -12.754 -16.538 1.00 62.11 C ATOM 522 O PHE A 35 55.972 -13.345 -16.899 1.00 22.11 O ATOM 523 CB PHE A 35 53.347 -14.674 -16.729 1.00 51.10 C ATOM 524 CG PHE A 35 53.434 -15.031 -15.269 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.361 -14.805 -14.419 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.581 -15.614 -14.752 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.432 -15.153 -13.082 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.658 -15.959 -13.418 1.00 63.43 C ATOM 529 CZ PHE A 35 53.582 -15.731 -12.582 1.00 22.21 C ATOM 0 H PHE A 35 53.317 -13.819 -19.021 1.00 44.34 H new ATOM 0 HA PHE A 35 52.829 -12.593 -16.527 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.362 -14.957 -17.100 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.078 -15.267 -17.279 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.460 -14.352 -14.806 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.424 -15.800 -15.401 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.590 -14.973 -12.431 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.560 -16.407 -13.027 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.640 -16.004 -11.539 1.00 22.21 H new ATOM 539 N GLU A 36 54.977 -11.701 -15.735 1.00 21.30 N ATOM 540 CA GLU A 36 56.215 -11.173 -15.197 1.00 35.33 C ATOM 541 C GLU A 36 56.438 -11.641 -13.765 1.00 44.03 C ATOM 542 O GLU A 36 55.689 -11.286 -12.853 1.00 52.25 O ATOM 543 CB GLU A 36 56.198 -9.648 -15.259 1.00 30.54 C ATOM 544 CG GLU A 36 56.318 -9.109 -16.672 1.00 13.22 C ATOM 545 CD GLU A 36 56.069 -7.619 -16.770 1.00 51.45 C ATOM 546 OE1 GLU A 36 55.047 -7.142 -16.238 1.00 35.32 O ATOM 547 OE2 GLU A 36 56.878 -6.924 -17.421 1.00 54.43 O ATOM 0 H GLU A 36 54.142 -11.194 -15.442 1.00 21.30 H new ATOM 0 HA GLU A 36 57.039 -11.549 -15.803 1.00 35.33 H new ATOM 0 HB2 GLU A 36 55.272 -9.282 -14.814 1.00 30.54 H new ATOM 0 HB3 GLU A 36 57.017 -9.257 -14.656 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.315 -9.329 -17.054 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.609 -9.631 -17.314 1.00 13.22 H new ATOM 554 N TYR A 37 57.462 -12.453 -13.582 1.00 71.04 N ATOM 555 CA TYR A 37 57.846 -12.917 -12.259 1.00 2.31 C ATOM 556 C TYR A 37 58.969 -12.051 -11.700 1.00 2.10 C ATOM 557 O TYR A 37 60.110 -12.153 -12.134 1.00 33.24 O ATOM 558 CB TYR A 37 58.292 -14.386 -12.305 1.00 64.22 C ATOM 559 CG TYR A 37 59.053 -14.832 -11.070 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.394 -15.118 -9.879 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.439 -14.955 -11.094 1.00 34.02 C ATOM 562 CE1 TYR A 37 59.096 -15.509 -8.753 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.144 -15.343 -9.972 1.00 42.11 C ATOM 564 CZ TYR A 37 60.468 -15.623 -8.805 1.00 3.33 C ATOM 565 OH TYR A 37 61.168 -16.010 -7.685 1.00 35.44 O ATOM 0 H TYR A 37 58.048 -12.808 -14.338 1.00 71.04 H new ATOM 0 HA TYR A 37 56.977 -12.838 -11.606 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.413 -15.019 -12.428 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.920 -14.538 -13.183 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.318 -15.034 -9.833 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.974 -14.743 -12.008 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.570 -15.724 -7.835 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.220 -15.427 -10.009 1.00 42.11 H new ATOM 0 HH TYR A 37 62.059 -15.602 -7.699 1.00 35.44 H new ATOM 575 N ASP A 38 58.644 -11.194 -10.751 1.00 70.50 N ATOM 576 CA ASP A 38 59.661 -10.393 -10.084 1.00 10.30 C ATOM 577 C ASP A 38 60.201 -11.150 -8.880 1.00 4.53 C ATOM 578 O ASP A 38 59.432 -11.726 -8.112 1.00 73.13 O ATOM 579 CB ASP A 38 59.092 -9.043 -9.649 1.00 64.12 C ATOM 580 CG ASP A 38 60.050 -8.275 -8.760 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.976 -7.628 -9.282 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.882 -8.333 -7.530 1.00 51.42 O ATOM 0 H ASP A 38 57.691 -11.033 -10.424 1.00 70.50 H new ATOM 0 HA ASP A 38 60.474 -10.206 -10.786 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.862 -8.447 -10.532 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.154 -9.201 -9.117 1.00 64.12 H new ATOM 587 N GLU A 39 61.519 -11.157 -8.724 1.00 21.24 N ATOM 588 CA GLU A 39 62.166 -11.916 -7.652 1.00 73.35 C ATOM 589 C GLU A 39 61.784 -11.403 -6.261 1.00 61.05 C ATOM 590 O GLU A 39 61.754 -12.174 -5.301 1.00 14.23 O ATOM 591 CB GLU A 39 63.683 -11.864 -7.811 1.00 3.15 C ATOM 592 CG GLU A 39 64.199 -12.517 -9.080 1.00 2.32 C ATOM 593 CD GLU A 39 65.705 -12.425 -9.202 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.231 -11.297 -9.358 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.375 -13.474 -9.131 1.00 42.02 O ATOM 0 H GLU A 39 62.165 -10.646 -9.326 1.00 21.24 H new ATOM 0 HA GLU A 39 61.815 -12.945 -7.736 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.003 -10.822 -7.796 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.144 -12.351 -6.952 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.899 -13.565 -9.095 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.737 -12.041 -9.945 1.00 2.32 H new ATOM 602 N ALA A 40 61.492 -10.114 -6.148 1.00 41.21 N ATOM 603 CA ALA A 40 61.168 -9.517 -4.855 1.00 41.44 C ATOM 604 C ALA A 40 59.722 -9.794 -4.477 1.00 73.14 C ATOM 605 O ALA A 40 59.387 -9.898 -3.297 1.00 63.31 O ATOM 606 CB ALA A 40 61.428 -8.018 -4.873 1.00 64.54 C ATOM 0 H ALA A 40 61.472 -9.462 -6.932 1.00 41.21 H new ATOM 0 HA ALA A 40 61.814 -9.973 -4.105 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.180 -7.594 -3.900 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.480 -7.834 -5.092 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.811 -7.551 -5.640 1.00 64.54 H new ATOM 612 N LEU A 41 58.867 -9.887 -5.481 1.00 35.01 N ATOM 613 CA LEU A 41 57.471 -10.229 -5.265 1.00 43.03 C ATOM 614 C LEU A 41 57.332 -11.738 -5.057 1.00 41.24 C ATOM 615 O LEU A 41 56.639 -12.190 -4.143 1.00 5.12 O ATOM 616 CB LEU A 41 56.630 -9.756 -6.463 1.00 54.42 C ATOM 617 CG LEU A 41 55.110 -9.657 -6.243 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.452 -11.028 -6.244 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.807 -8.926 -4.942 1.00 50.10 C ATOM 0 H LEU A 41 59.116 -9.730 -6.458 1.00 35.01 H new ATOM 0 HA LEU A 41 57.106 -9.727 -4.369 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.994 -8.775 -6.769 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.810 -10.437 -7.295 1.00 54.42 H new ATOM 0 HG LEU A 41 54.694 -9.089 -7.075 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.379 -10.917 -6.086 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.629 -11.516 -7.203 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.876 -11.635 -5.444 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.728 -8.865 -4.802 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.251 -9.469 -4.108 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.225 -7.920 -4.984 1.00 50.10 H new ATOM 631 N GLY A 42 58.014 -12.506 -5.899 1.00 60.35 N ATOM 632 CA GLY A 42 57.956 -13.949 -5.811 1.00 65.42 C ATOM 633 C GLY A 42 56.655 -14.497 -6.357 1.00 1.31 C ATOM 634 O GLY A 42 55.994 -13.850 -7.173 1.00 22.32 O ATOM 0 H GLY A 42 58.610 -12.149 -6.646 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.791 -14.380 -6.363 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.070 -14.254 -4.771 1.00 65.42 H new ATOM 638 N TRP A 43 56.286 -15.684 -5.913 1.00 34.01 N ATOM 639 CA TRP A 43 55.029 -16.294 -6.312 1.00 72.13 C ATOM 640 C TRP A 43 54.592 -17.296 -5.246 1.00 1.53 C ATOM 641 O TRP A 43 54.874 -18.496 -5.336 1.00 0.54 O ATOM 642 CB TRP A 43 55.148 -16.971 -7.685 1.00 22.21 C ATOM 643 CG TRP A 43 53.826 -17.390 -8.254 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.440 -18.653 -8.588 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.709 -16.540 -8.551 1.00 75.12 C ATOM 646 NE1 TRP A 43 52.158 -18.646 -9.074 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.685 -17.358 -9.064 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.476 -15.166 -8.433 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.450 -16.850 -9.454 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.247 -14.662 -8.822 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.249 -15.503 -9.329 1.00 72.01 C ATOM 0 H TRP A 43 56.842 -16.249 -5.271 1.00 34.01 H new ATOM 0 HA TRP A 43 54.273 -15.514 -6.402 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.634 -16.286 -8.380 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.792 -17.846 -7.597 1.00 22.21 H new ATOM 0 HD1 TRP A 43 54.056 -19.534 -8.485 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.640 -19.465 -9.391 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.241 -14.510 -8.045 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.677 -17.497 -9.842 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.055 -13.603 -8.733 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.301 -15.079 -9.627 1.00 72.01 H new ATOM 662 N PRO A 44 53.903 -16.799 -4.213 1.00 45.41 N ATOM 663 CA PRO A 44 53.528 -17.595 -3.040 1.00 41.22 C ATOM 664 C PRO A 44 52.552 -18.712 -3.385 1.00 43.31 C ATOM 665 O PRO A 44 52.489 -19.729 -2.696 1.00 52.04 O ATOM 666 CB PRO A 44 52.858 -16.581 -2.103 1.00 1.41 C ATOM 667 CG PRO A 44 53.202 -15.236 -2.643 1.00 43.31 C ATOM 668 CD PRO A 44 53.425 -15.414 -4.112 1.00 12.02 C ATOM 0 HA PRO A 44 54.394 -18.091 -2.602 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.778 -16.727 -2.078 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.219 -16.696 -1.081 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.397 -14.525 -2.456 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.095 -14.841 -2.160 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.507 -15.262 -4.680 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.159 -14.706 -4.497 1.00 12.02 H new ATOM 676 N GLU A 45 51.801 -18.513 -4.458 1.00 52.10 N ATOM 677 CA GLU A 45 50.807 -19.485 -4.903 1.00 33.11 C ATOM 678 C GLU A 45 51.451 -20.808 -5.303 1.00 32.45 C ATOM 679 O GLU A 45 50.841 -21.867 -5.169 1.00 53.21 O ATOM 680 CB GLU A 45 49.994 -18.928 -6.074 1.00 63.41 C ATOM 681 CG GLU A 45 48.940 -17.908 -5.663 1.00 44.43 C ATOM 682 CD GLU A 45 49.514 -16.719 -4.919 1.00 32.53 C ATOM 683 OE1 GLU A 45 49.977 -15.768 -5.580 1.00 63.33 O ATOM 684 OE2 GLU A 45 49.508 -16.735 -3.668 1.00 61.31 O ATOM 0 H GLU A 45 51.861 -17.680 -5.043 1.00 52.10 H new ATOM 0 HA GLU A 45 50.141 -19.674 -4.061 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.675 -18.465 -6.789 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.504 -19.754 -6.589 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.420 -17.554 -6.553 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.197 -18.397 -5.033 1.00 44.43 H new ATOM 691 N ASP A 46 52.681 -20.747 -5.796 1.00 54.25 N ATOM 692 CA ASP A 46 53.404 -21.957 -6.165 1.00 30.40 C ATOM 693 C ASP A 46 54.297 -22.398 -5.018 1.00 61.32 C ATOM 694 O ASP A 46 54.655 -23.569 -4.902 1.00 73.23 O ATOM 695 CB ASP A 46 54.248 -21.724 -7.419 1.00 23.20 C ATOM 696 CG ASP A 46 54.926 -22.987 -7.909 1.00 70.52 C ATOM 697 OD1 ASP A 46 54.280 -23.755 -8.652 1.00 44.11 O ATOM 698 OD2 ASP A 46 56.102 -23.213 -7.566 1.00 44.22 O ATOM 0 H ASP A 46 53.196 -19.880 -5.949 1.00 54.25 H new ATOM 0 HA ASP A 46 52.676 -22.740 -6.378 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.613 -21.326 -8.211 1.00 23.20 H new ATOM 0 HB3 ASP A 46 55.005 -20.969 -7.208 1.00 23.20 H new ATOM 703 N GLY A 47 54.626 -21.452 -4.152 1.00 73.12 N ATOM 704 CA GLY A 47 55.514 -21.731 -3.046 1.00 12.11 C ATOM 705 C GLY A 47 56.861 -21.065 -3.227 1.00 64.11 C ATOM 706 O GLY A 47 57.845 -21.461 -2.605 1.00 22.42 O ATOM 0 H GLY A 47 54.291 -20.490 -4.197 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.059 -21.385 -2.118 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.651 -22.808 -2.952 1.00 12.11 H new ATOM 710 N ILE A 48 56.904 -20.057 -4.090 1.00 0.01 N ATOM 711 CA ILE A 48 58.127 -19.307 -4.335 1.00 25.24 C ATOM 712 C ILE A 48 58.164 -18.070 -3.445 1.00 62.01 C ATOM 713 O ILE A 48 57.460 -17.092 -3.702 1.00 62.43 O ATOM 714 CB ILE A 48 58.237 -18.874 -5.816 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.104 -20.082 -6.749 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.556 -18.156 -6.059 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.176 -21.134 -6.549 1.00 43.03 C ATOM 0 H ILE A 48 56.101 -19.740 -4.634 1.00 0.01 H new ATOM 0 HA ILE A 48 58.969 -19.959 -4.103 1.00 25.24 H new ATOM 0 HB ILE A 48 57.420 -18.187 -6.034 1.00 14.52 H new ATOM 0 HG12 ILE A 48 57.127 -20.540 -6.597 1.00 71.30 H new ATOM 0 HG13 ILE A 48 58.137 -19.736 -7.782 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.620 -17.857 -7.105 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.611 -17.271 -5.425 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.383 -18.825 -5.821 1.00 22.34 H new ATOM 0 HD11 ILE A 48 59.013 -21.956 -7.246 1.00 43.03 H new ATOM 0 HD12 ILE A 48 60.156 -20.693 -6.730 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.131 -21.510 -5.527 1.00 43.03 H new ATOM 729 N ALA A 49 58.968 -18.129 -2.392 1.00 31.20 N ATOM 730 CA ALA A 49 59.053 -17.039 -1.427 1.00 5.11 C ATOM 731 C ALA A 49 59.696 -15.793 -2.032 1.00 32.55 C ATOM 732 O ALA A 49 60.573 -15.885 -2.899 1.00 44.13 O ATOM 733 CB ALA A 49 59.824 -17.483 -0.194 1.00 50.42 C ATOM 0 H ALA A 49 59.573 -18.923 -2.183 1.00 31.20 H new ATOM 0 HA ALA A 49 58.035 -16.777 -1.138 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.879 -16.659 0.517 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.315 -18.328 0.269 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.832 -17.781 -0.483 1.00 50.42 H new ATOM 739 N ALA A 50 59.247 -14.632 -1.575 1.00 43.33 N ATOM 740 CA ALA A 50 59.819 -13.362 -1.999 1.00 31.42 C ATOM 741 C ALA A 50 61.321 -13.334 -1.734 1.00 65.35 C ATOM 742 O ALA A 50 61.760 -13.470 -0.592 1.00 33.24 O ATOM 743 CB ALA A 50 59.138 -12.218 -1.270 1.00 12.13 C ATOM 0 H ALA A 50 58.482 -14.544 -0.906 1.00 43.33 H new ATOM 0 HA ALA A 50 59.657 -13.248 -3.071 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.572 -11.271 -1.593 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.072 -12.225 -1.497 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.281 -12.335 -0.196 1.00 12.13 H new ATOM 749 N GLY A 51 62.105 -13.162 -2.789 1.00 23.11 N ATOM 750 CA GLY A 51 63.550 -13.169 -2.654 1.00 51.21 C ATOM 751 C GLY A 51 64.176 -14.424 -3.231 1.00 12.22 C ATOM 752 O GLY A 51 65.400 -14.551 -3.281 1.00 44.15 O ATOM 0 H GLY A 51 61.766 -13.017 -3.740 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.964 -12.295 -3.157 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.815 -13.085 -1.600 1.00 51.21 H new ATOM 756 N THR A 52 63.336 -15.360 -3.661 1.00 34.23 N ATOM 757 CA THR A 52 63.821 -16.575 -4.296 1.00 72.11 C ATOM 758 C THR A 52 64.385 -16.268 -5.682 1.00 32.45 C ATOM 759 O THR A 52 63.719 -15.650 -6.513 1.00 11.25 O ATOM 760 CB THR A 52 62.704 -17.626 -4.405 1.00 4.53 C ATOM 761 OG1 THR A 52 62.186 -17.910 -3.100 1.00 61.21 O ATOM 762 CG2 THR A 52 63.212 -18.910 -5.040 1.00 63.31 C ATOM 0 H THR A 52 62.321 -15.299 -3.581 1.00 34.23 H new ATOM 0 HA THR A 52 64.617 -16.982 -3.672 1.00 72.11 H new ATOM 0 HB THR A 52 61.916 -17.221 -5.040 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.598 -17.180 -2.815 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.398 -19.632 -5.102 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.586 -18.697 -6.042 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.017 -19.323 -4.432 1.00 63.31 H new ATOM 770 N ARG A 53 65.622 -16.692 -5.908 1.00 11.11 N ATOM 771 CA ARG A 53 66.309 -16.446 -7.168 1.00 1.42 C ATOM 772 C ARG A 53 65.904 -17.466 -8.221 1.00 24.11 C ATOM 773 O ARG A 53 65.392 -18.539 -7.899 1.00 33.21 O ATOM 774 CB ARG A 53 67.821 -16.499 -6.953 1.00 42.33 C ATOM 775 CG ARG A 53 68.363 -15.315 -6.178 1.00 70.11 C ATOM 776 CD ARG A 53 68.586 -14.117 -7.083 1.00 62.02 C ATOM 777 NE ARG A 53 69.728 -14.327 -7.975 1.00 73.44 N ATOM 778 CZ ARG A 53 69.891 -13.717 -9.147 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.916 -12.983 -9.666 1.00 5.03 N ATOM 780 NH2 ARG A 53 71.019 -13.894 -9.828 1.00 20.33 N ATOM 0 H ARG A 53 66.174 -17.213 -5.227 1.00 11.11 H new ATOM 0 HA ARG A 53 66.024 -15.456 -7.523 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.073 -17.417 -6.422 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.317 -16.546 -7.923 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.666 -15.048 -5.384 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.302 -15.591 -5.699 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.689 -13.934 -7.675 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.755 -13.227 -6.476 1.00 62.02 H new ATOM 0 HE ARG A 53 70.448 -14.986 -7.678 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.032 -12.882 -9.167 1.00 5.03 H new ATOM 0 HH12 ARG A 53 69.050 -12.519 -10.565 1.00 5.03 H new ATOM 0 HH21 ARG A 53 71.753 -14.494 -9.452 1.00 20.33 H new ATOM 0 HH22 ARG A 53 71.150 -13.430 -10.727 1.00 20.33 H new ATOM 794 N TRP A 54 66.152 -17.123 -9.480 1.00 75.02 N ATOM 795 CA TRP A 54 65.852 -18.008 -10.602 1.00 4.51 C ATOM 796 C TRP A 54 66.642 -19.311 -10.482 1.00 51.50 C ATOM 797 O TRP A 54 66.231 -20.353 -11.002 1.00 53.22 O ATOM 798 CB TRP A 54 66.188 -17.302 -11.918 1.00 14.02 C ATOM 799 CG TRP A 54 65.565 -17.932 -13.127 1.00 2.34 C ATOM 800 CD1 TRP A 54 66.208 -18.602 -14.128 1.00 3.31 C ATOM 801 CD2 TRP A 54 64.175 -17.944 -13.463 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.301 -19.021 -15.070 1.00 35.15 N ATOM 803 CE2 TRP A 54 64.046 -18.632 -14.682 1.00 51.34 C ATOM 804 CE3 TRP A 54 63.024 -17.440 -12.849 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.813 -18.823 -15.302 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.802 -17.633 -13.464 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.703 -18.320 -14.678 1.00 44.10 C ATOM 0 H TRP A 54 66.564 -16.230 -9.752 1.00 75.02 H new ATOM 0 HA TRP A 54 64.789 -18.250 -10.588 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.863 -16.264 -11.854 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.270 -17.290 -12.045 1.00 14.02 H new ATOM 0 HD1 TRP A 54 67.273 -18.777 -14.172 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.525 -19.538 -15.920 1.00 35.15 H new ATOM 0 HE3 TRP A 54 63.089 -16.909 -11.911 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.736 -19.349 -16.242 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.907 -17.246 -12.999 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.733 -18.456 -15.132 1.00 44.10 H new ATOM 818 N ASP A 55 67.777 -19.234 -9.791 1.00 34.41 N ATOM 819 CA ASP A 55 68.618 -20.400 -9.537 1.00 13.53 C ATOM 820 C ASP A 55 67.941 -21.344 -8.550 1.00 43.20 C ATOM 821 O ASP A 55 68.053 -22.564 -8.664 1.00 13.14 O ATOM 822 CB ASP A 55 69.974 -19.972 -8.966 1.00 34.21 C ATOM 823 CG ASP A 55 70.743 -19.039 -9.879 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.417 -19.529 -10.806 1.00 31.22 O ATOM 825 OD2 ASP A 55 70.692 -17.810 -9.656 1.00 31.21 O ATOM 0 H ASP A 55 68.138 -18.367 -9.394 1.00 34.41 H new ATOM 0 HA ASP A 55 68.770 -20.914 -10.486 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.817 -19.481 -8.006 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.576 -20.860 -8.775 1.00 34.21 H new ATOM 830 N ASP A 56 67.236 -20.769 -7.578 1.00 74.00 N ATOM 831 CA ASP A 56 66.566 -21.553 -6.543 1.00 13.50 C ATOM 832 C ASP A 56 65.324 -22.231 -7.102 1.00 35.01 C ATOM 833 O ASP A 56 64.929 -23.303 -6.645 1.00 73.34 O ATOM 834 CB ASP A 56 66.173 -20.667 -5.358 1.00 10.43 C ATOM 835 CG ASP A 56 67.365 -20.098 -4.619 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.000 -20.842 -3.841 1.00 73.21 O ATOM 837 OD2 ASP A 56 67.680 -18.903 -4.808 1.00 45.42 O ATOM 0 H ASP A 56 67.114 -19.761 -7.486 1.00 74.00 H new ATOM 0 HA ASP A 56 67.265 -22.315 -6.200 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.550 -19.847 -5.716 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.566 -21.248 -4.663 1.00 10.43 H new ATOM 842 N ILE A 57 64.712 -21.589 -8.088 1.00 54.25 N ATOM 843 CA ILE A 57 63.535 -22.135 -8.746 1.00 24.31 C ATOM 844 C ILE A 57 63.899 -23.388 -9.542 1.00 43.24 C ATOM 845 O ILE A 57 64.812 -23.353 -10.369 1.00 14.33 O ATOM 846 CB ILE A 57 62.897 -21.094 -9.691 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.454 -19.866 -8.895 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.721 -21.694 -10.446 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.854 -18.771 -9.749 1.00 14.05 C ATOM 0 H ILE A 57 65.014 -20.685 -8.451 1.00 54.25 H new ATOM 0 HA ILE A 57 62.814 -22.396 -7.972 1.00 24.31 H new ATOM 0 HB ILE A 57 63.645 -20.788 -10.423 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.723 -20.173 -8.147 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.312 -19.465 -8.356 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.289 -20.941 -11.105 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.064 -22.541 -11.040 1.00 13.22 H new ATOM 0 HG23 ILE A 57 60.966 -22.030 -9.735 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.564 -17.933 -9.115 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.590 -18.435 -10.480 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.976 -19.155 -10.268 1.00 14.05 H new ATOM 861 N PRO A 58 63.189 -24.504 -9.300 1.00 63.44 N ATOM 862 CA PRO A 58 63.454 -25.787 -9.964 1.00 3.44 C ATOM 863 C PRO A 58 63.503 -25.668 -11.486 1.00 51.00 C ATOM 864 O PRO A 58 62.703 -24.955 -12.096 1.00 45.01 O ATOM 865 CB PRO A 58 62.277 -26.678 -9.536 1.00 24.00 C ATOM 866 CG PRO A 58 61.282 -25.757 -8.912 1.00 73.11 C ATOM 867 CD PRO A 58 62.067 -24.607 -8.360 1.00 50.42 C ATOM 0 HA PRO A 58 64.429 -26.183 -9.680 1.00 3.44 H new ATOM 0 HB2 PRO A 58 61.847 -27.197 -10.392 1.00 24.00 H new ATOM 0 HB3 PRO A 58 62.601 -27.442 -8.829 1.00 24.00 H new ATOM 0 HG2 PRO A 58 60.554 -25.414 -9.647 1.00 73.11 H new ATOM 0 HG3 PRO A 58 60.725 -26.262 -8.123 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.477 -23.691 -8.331 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.407 -24.800 -7.343 1.00 50.42 H new ATOM 875 N ASP A 59 64.439 -26.380 -12.093 1.00 25.01 N ATOM 876 CA ASP A 59 64.645 -26.332 -13.539 1.00 41.44 C ATOM 877 C ASP A 59 63.415 -26.846 -14.282 1.00 34.41 C ATOM 878 O ASP A 59 63.163 -26.466 -15.424 1.00 72.22 O ATOM 879 CB ASP A 59 65.876 -27.166 -13.907 1.00 1.55 C ATOM 880 CG ASP A 59 66.243 -27.082 -15.375 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.908 -26.100 -15.768 1.00 4.21 O ATOM 882 OD2 ASP A 59 65.893 -28.008 -16.138 1.00 11.32 O ATOM 0 H ASP A 59 65.077 -27.007 -11.603 1.00 25.01 H new ATOM 0 HA ASP A 59 64.807 -25.296 -13.836 1.00 41.44 H new ATOM 0 HB2 ASP A 59 66.724 -26.832 -13.309 1.00 1.55 H new ATOM 0 HB3 ASP A 59 65.691 -28.208 -13.645 1.00 1.55 H new ATOM 887 N ASP A 60 62.645 -27.693 -13.612 1.00 32.43 N ATOM 888 CA ASP A 60 61.447 -28.302 -14.199 1.00 54.13 C ATOM 889 C ASP A 60 60.207 -27.422 -13.977 1.00 24.24 C ATOM 890 O ASP A 60 59.095 -27.790 -14.351 1.00 12.35 O ATOM 891 CB ASP A 60 61.231 -29.691 -13.577 1.00 23.23 C ATOM 892 CG ASP A 60 60.291 -30.575 -14.378 1.00 23.22 C ATOM 893 OD1 ASP A 60 60.749 -31.190 -15.365 1.00 42.45 O ATOM 894 OD2 ASP A 60 59.106 -30.698 -14.007 1.00 70.35 O ATOM 0 H ASP A 60 62.827 -27.980 -12.650 1.00 32.43 H new ATOM 0 HA ASP A 60 61.595 -28.398 -15.275 1.00 54.13 H new ATOM 0 HB2 ASP A 60 62.195 -30.191 -13.482 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.833 -29.571 -12.569 1.00 23.23 H new ATOM 899 N TRP A 61 60.406 -26.253 -13.374 1.00 5.24 N ATOM 900 CA TRP A 61 59.300 -25.348 -13.063 1.00 42.43 C ATOM 901 C TRP A 61 58.745 -24.679 -14.322 1.00 33.21 C ATOM 902 O TRP A 61 59.500 -24.162 -15.152 1.00 22.24 O ATOM 903 CB TRP A 61 59.776 -24.285 -12.072 1.00 54.42 C ATOM 904 CG TRP A 61 58.706 -23.345 -11.606 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.746 -23.598 -10.671 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.502 -21.994 -12.035 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.957 -22.491 -10.494 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.398 -21.494 -11.320 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.142 -21.160 -12.956 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.925 -20.198 -11.494 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.670 -19.873 -13.128 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.571 -19.403 -12.399 1.00 25.01 C ATOM 0 H TRP A 61 61.323 -25.909 -13.090 1.00 5.24 H new ATOM 0 HA TRP A 61 58.495 -25.935 -12.620 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.207 -24.783 -11.204 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.574 -23.705 -12.536 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.625 -24.534 -10.146 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.169 -22.422 -9.850 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.990 -21.515 -13.523 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.077 -19.832 -10.934 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.157 -19.219 -13.836 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.227 -18.391 -12.555 1.00 25.01 H new ATOM 923 N SER A 62 57.424 -24.693 -14.452 1.00 54.20 N ATOM 924 CA SER A 62 56.755 -24.039 -15.563 1.00 3.30 C ATOM 925 C SER A 62 55.985 -22.808 -15.095 1.00 13.23 C ATOM 926 O SER A 62 55.604 -22.706 -13.930 1.00 63.43 O ATOM 927 CB SER A 62 55.803 -25.014 -16.264 1.00 63.43 C ATOM 928 OG SER A 62 55.157 -25.866 -15.330 1.00 64.32 O ATOM 0 H SER A 62 56.794 -25.154 -13.796 1.00 54.20 H new ATOM 0 HA SER A 62 57.520 -23.717 -16.269 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.056 -24.455 -16.827 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.359 -25.615 -16.983 1.00 63.43 H new ATOM 0 HG SER A 62 54.555 -26.476 -15.805 1.00 64.32 H new ATOM 934 N CYS A 63 55.770 -21.877 -16.015 1.00 24.15 N ATOM 935 CA CYS A 63 54.975 -20.685 -15.751 1.00 63.43 C ATOM 936 C CYS A 63 53.550 -21.069 -15.364 1.00 24.51 C ATOM 937 O CYS A 63 52.828 -21.643 -16.170 1.00 44.14 O ATOM 938 CB CYS A 63 54.947 -19.807 -17.004 1.00 63.12 C ATOM 939 SG CYS A 63 53.900 -18.342 -16.871 1.00 13.20 S ATOM 0 H CYS A 63 56.141 -21.927 -16.964 1.00 24.15 H new ATOM 0 HA CYS A 63 55.425 -20.136 -14.924 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.965 -19.491 -17.233 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.603 -20.408 -17.846 1.00 63.12 H new ATOM 944 N PRO A 64 53.119 -20.742 -14.137 1.00 12.23 N ATOM 945 CA PRO A 64 51.782 -21.106 -13.636 1.00 52.51 C ATOM 946 C PRO A 64 50.656 -20.506 -14.478 1.00 52.22 C ATOM 947 O PRO A 64 49.516 -20.967 -14.433 1.00 21.33 O ATOM 948 CB PRO A 64 51.752 -20.518 -12.218 1.00 2.43 C ATOM 949 CG PRO A 64 53.178 -20.297 -11.853 1.00 63.34 C ATOM 950 CD PRO A 64 53.896 -20.001 -13.135 1.00 75.23 C ATOM 0 HA PRO A 64 51.623 -22.184 -13.671 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.190 -19.584 -12.191 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.269 -21.201 -11.519 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.276 -19.469 -11.151 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.597 -21.178 -11.367 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.913 -18.932 -13.349 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.933 -20.336 -13.102 1.00 75.23 H new ATOM 958 N ASP A 65 50.996 -19.491 -15.257 1.00 62.43 N ATOM 959 CA ASP A 65 50.010 -18.750 -16.035 1.00 4.14 C ATOM 960 C ASP A 65 49.700 -19.433 -17.374 1.00 73.14 C ATOM 961 O ASP A 65 48.664 -19.168 -17.986 1.00 75.43 O ATOM 962 CB ASP A 65 50.519 -17.322 -16.263 1.00 75.11 C ATOM 963 CG ASP A 65 49.534 -16.441 -17.006 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.509 -16.048 -16.410 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.797 -16.113 -18.182 1.00 12.44 O ATOM 0 H ASP A 65 51.954 -19.158 -15.369 1.00 62.43 H new ATOM 0 HA ASP A 65 49.078 -18.725 -15.471 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.746 -16.867 -15.299 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.453 -17.363 -16.824 1.00 75.11 H new ATOM 970 N CYS A 66 50.574 -20.336 -17.814 1.00 24.23 N ATOM 971 CA CYS A 66 50.408 -20.960 -19.129 1.00 44.35 C ATOM 972 C CYS A 66 51.059 -22.345 -19.219 1.00 61.50 C ATOM 973 O CYS A 66 50.579 -23.215 -19.940 1.00 33.10 O ATOM 974 CB CYS A 66 50.979 -20.039 -20.209 1.00 11.53 C ATOM 975 SG CYS A 66 52.626 -19.392 -19.829 1.00 2.42 S ATOM 0 H CYS A 66 51.392 -20.649 -17.291 1.00 24.23 H new ATOM 0 HA CYS A 66 49.339 -21.106 -19.285 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.023 -20.585 -21.151 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.296 -19.202 -20.357 1.00 11.53 H new ATOM 980 N GLY A 67 52.147 -22.542 -18.487 1.00 11.35 N ATOM 981 CA GLY A 67 52.869 -23.799 -18.541 1.00 2.21 C ATOM 982 C GLY A 67 54.152 -23.676 -19.328 1.00 45.15 C ATOM 983 O GLY A 67 54.835 -24.666 -19.581 1.00 12.15 O ATOM 0 H GLY A 67 52.545 -21.849 -17.853 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.095 -24.132 -17.528 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.236 -24.562 -18.994 1.00 2.21 H new ATOM 987 N ALA A 68 54.469 -22.453 -19.728 1.00 3.21 N ATOM 988 CA ALA A 68 55.700 -22.173 -20.452 1.00 51.33 C ATOM 989 C ALA A 68 56.921 -22.508 -19.603 1.00 24.02 C ATOM 990 O ALA A 68 56.890 -22.371 -18.381 1.00 24.41 O ATOM 991 CB ALA A 68 55.730 -20.715 -20.872 1.00 22.41 C ATOM 0 H ALA A 68 53.885 -21.633 -19.562 1.00 3.21 H new ATOM 0 HA ALA A 68 55.729 -22.801 -21.342 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.654 -20.511 -21.414 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.877 -20.505 -21.517 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.681 -20.080 -19.987 1.00 22.41 H new ATOM 997 N ALA A 69 57.992 -22.939 -20.249 1.00 63.43 N ATOM 998 CA ALA A 69 59.196 -23.346 -19.538 1.00 14.25 C ATOM 999 C ALA A 69 60.101 -22.145 -19.287 1.00 45.14 C ATOM 1000 O ALA A 69 59.764 -21.021 -19.663 1.00 64.45 O ATOM 1001 CB ALA A 69 59.931 -24.425 -20.322 1.00 43.25 C ATOM 0 H ALA A 69 58.054 -23.017 -21.264 1.00 63.43 H new ATOM 0 HA ALA A 69 58.908 -23.760 -18.571 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.829 -24.721 -19.780 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.281 -25.291 -20.447 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.210 -24.037 -21.302 1.00 43.25 H new ATOM 1007 N LYS A 70 61.248 -22.384 -18.659 1.00 44.04 N ATOM 1008 CA LYS A 70 62.194 -21.311 -18.366 1.00 2.40 C ATOM 1009 C LYS A 70 62.702 -20.668 -19.654 1.00 33.52 C ATOM 1010 O LYS A 70 63.022 -19.480 -19.680 1.00 53.10 O ATOM 1011 CB LYS A 70 63.379 -21.821 -17.536 1.00 2.20 C ATOM 1012 CG LYS A 70 63.023 -22.173 -16.099 1.00 4.42 C ATOM 1013 CD LYS A 70 64.274 -22.336 -15.248 1.00 65.43 C ATOM 1014 CE LYS A 70 63.937 -22.561 -13.784 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.158 -22.556 -12.932 1.00 61.24 N ATOM 0 H LYS A 70 61.545 -23.308 -18.344 1.00 44.04 H new ATOM 0 HA LYS A 70 61.663 -20.560 -17.781 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.797 -22.702 -18.022 1.00 2.20 H new ATOM 0 HB3 LYS A 70 64.159 -21.060 -17.530 1.00 2.20 H new ATOM 0 HG2 LYS A 70 62.391 -21.392 -15.676 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.444 -23.096 -16.080 1.00 4.42 H new ATOM 0 HD2 LYS A 70 64.859 -23.177 -15.620 1.00 65.43 H new ATOM 0 HD3 LYS A 70 64.897 -21.447 -15.345 1.00 65.43 H new ATOM 0 HE2 LYS A 70 63.253 -21.784 -13.444 1.00 20.30 H new ATOM 0 HE3 LYS A 70 63.419 -23.513 -13.672 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 65.029 -23.214 -12.137 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.978 -22.854 -13.498 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.321 -21.597 -12.565 1.00 61.24 H new ATOM 1029 N SER A 71 62.752 -21.453 -20.726 1.00 24.44 N ATOM 1030 CA SER A 71 63.187 -20.953 -22.025 1.00 74.02 C ATOM 1031 C SER A 71 62.171 -19.974 -22.619 1.00 74.23 C ATOM 1032 O SER A 71 62.439 -19.327 -23.630 1.00 30.43 O ATOM 1033 CB SER A 71 63.434 -22.123 -22.983 1.00 35.23 C ATOM 1034 OG SER A 71 62.376 -23.065 -22.930 1.00 35.24 O ATOM 0 H SER A 71 62.496 -22.440 -20.720 1.00 24.44 H new ATOM 0 HA SER A 71 64.120 -20.409 -21.882 1.00 74.02 H new ATOM 0 HB2 SER A 71 63.538 -21.747 -24.001 1.00 35.23 H new ATOM 0 HB3 SER A 71 64.373 -22.613 -22.727 1.00 35.23 H new ATOM 0 HG SER A 71 62.560 -23.799 -23.553 1.00 35.24 H new ATOM 1040 N ASP A 72 61.009 -19.862 -21.984 1.00 22.41 N ATOM 1041 CA ASP A 72 59.989 -18.914 -22.414 1.00 53.55 C ATOM 1042 C ASP A 72 60.029 -17.661 -21.557 1.00 72.53 C ATOM 1043 O ASP A 72 59.192 -16.769 -21.708 1.00 51.33 O ATOM 1044 CB ASP A 72 58.593 -19.529 -22.338 1.00 31.01 C ATOM 1045 CG ASP A 72 58.379 -20.625 -23.356 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.327 -20.315 -24.564 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.249 -21.802 -22.954 1.00 20.11 O ATOM 0 H ASP A 72 60.750 -20.417 -21.168 1.00 22.41 H new ATOM 0 HA ASP A 72 60.203 -18.654 -23.451 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.433 -19.932 -21.338 1.00 31.01 H new ATOM 0 HB3 ASP A 72 57.848 -18.748 -22.490 1.00 31.01 H new ATOM 1052 N PHE A 73 60.990 -17.605 -20.649 1.00 54.42 N ATOM 1053 CA PHE A 73 61.170 -16.442 -19.793 1.00 32.03 C ATOM 1054 C PHE A 73 62.419 -15.682 -20.191 1.00 41.43 C ATOM 1055 O PHE A 73 63.375 -16.267 -20.705 1.00 33.41 O ATOM 1056 CB PHE A 73 61.285 -16.850 -18.322 1.00 12.00 C ATOM 1057 CG PHE A 73 59.981 -17.206 -17.675 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.504 -18.504 -17.710 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.238 -16.240 -17.018 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.308 -18.832 -17.104 1.00 43.50 C ATOM 1061 CE2 PHE A 73 58.042 -16.561 -16.409 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.575 -17.858 -16.452 1.00 32.20 C ATOM 0 H PHE A 73 61.661 -18.355 -20.485 1.00 54.42 H new ATOM 0 HA PHE A 73 60.294 -15.805 -19.917 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.959 -17.703 -18.246 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.742 -16.032 -17.765 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.073 -19.269 -18.217 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.599 -15.223 -16.982 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.945 -19.849 -17.139 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.473 -15.798 -15.899 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.639 -18.112 -15.977 1.00 32.20 H new ATOM 1072 N GLU A 74 62.405 -14.379 -19.970 1.00 11.30 N ATOM 1073 CA GLU A 74 63.599 -13.572 -20.142 1.00 71.52 C ATOM 1074 C GLU A 74 63.817 -12.683 -18.926 1.00 63.42 C ATOM 1075 O GLU A 74 62.856 -12.267 -18.272 1.00 24.10 O ATOM 1076 CB GLU A 74 63.530 -12.729 -21.415 1.00 55.11 C ATOM 1077 CG GLU A 74 62.354 -11.774 -21.479 1.00 15.31 C ATOM 1078 CD GLU A 74 62.509 -10.788 -22.614 1.00 10.03 C ATOM 1079 OE1 GLU A 74 62.306 -11.179 -23.780 1.00 22.12 O ATOM 1080 OE2 GLU A 74 62.878 -9.625 -22.344 1.00 33.13 O ATOM 0 H GLU A 74 61.580 -13.858 -19.671 1.00 11.30 H new ATOM 0 HA GLU A 74 64.447 -14.250 -20.241 1.00 71.52 H new ATOM 0 HB2 GLU A 74 64.452 -12.155 -21.505 1.00 55.11 H new ATOM 0 HB3 GLU A 74 63.485 -13.397 -22.275 1.00 55.11 H new ATOM 0 HG2 GLU A 74 61.431 -12.339 -21.608 1.00 15.31 H new ATOM 0 HG3 GLU A 74 62.268 -11.235 -20.535 1.00 15.31 H new ATOM 1087 N MET A 75 65.078 -12.402 -18.626 1.00 1.12 N ATOM 1088 CA MET A 75 65.428 -11.625 -17.449 1.00 0.12 C ATOM 1089 C MET A 75 65.386 -10.131 -17.754 1.00 41.40 C ATOM 1090 O MET A 75 66.172 -9.631 -18.560 1.00 64.03 O ATOM 1091 CB MET A 75 66.825 -12.007 -16.952 1.00 65.23 C ATOM 1092 CG MET A 75 67.203 -11.365 -15.622 1.00 22.24 C ATOM 1093 SD MET A 75 68.916 -11.680 -15.147 1.00 62.41 S ATOM 1094 CE MET A 75 68.953 -13.472 -15.132 1.00 41.21 C ATOM 0 H MET A 75 65.877 -12.703 -19.185 1.00 1.12 H new ATOM 0 HA MET A 75 64.697 -11.847 -16.671 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.880 -13.091 -16.850 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.559 -11.720 -17.705 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.042 -10.289 -15.686 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.541 -11.741 -14.842 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.979 -13.814 -14.995 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.335 -13.842 -14.313 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.567 -13.852 -16.078 1.00 41.21 H new ATOM 1104 N VAL A 76 64.459 -9.429 -17.126 1.00 52.24 N ATOM 1105 CA VAL A 76 64.369 -7.986 -17.256 1.00 50.44 C ATOM 1106 C VAL A 76 64.563 -7.338 -15.893 1.00 33.40 C ATOM 1107 O VAL A 76 63.737 -7.499 -14.997 1.00 12.34 O ATOM 1108 CB VAL A 76 63.004 -7.547 -17.836 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.970 -6.043 -18.059 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.699 -8.288 -19.130 1.00 70.33 C ATOM 0 H VAL A 76 63.752 -9.840 -16.516 1.00 52.24 H new ATOM 0 HA VAL A 76 65.151 -7.665 -17.944 1.00 50.44 H new ATOM 0 HB VAL A 76 62.233 -7.802 -17.109 1.00 64.25 H new ATOM 0 HG11 VAL A 76 62.001 -5.758 -18.467 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.129 -5.531 -17.110 1.00 52.34 H new ATOM 0 HG13 VAL A 76 63.756 -5.761 -18.760 1.00 52.34 H new ATOM 0 HG21 VAL A 76 61.734 -7.961 -19.518 1.00 70.33 H new ATOM 0 HG22 VAL A 76 63.476 -8.074 -19.864 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.668 -9.360 -18.937 1.00 70.33 H new ATOM 1120 N GLU A 77 65.671 -6.638 -15.722 1.00 25.34 N ATOM 1121 CA GLU A 77 65.928 -5.939 -14.475 1.00 50.32 C ATOM 1122 C GLU A 77 64.929 -4.802 -14.299 1.00 51.53 C ATOM 1123 O GLU A 77 64.631 -4.069 -15.244 1.00 55.40 O ATOM 1124 CB GLU A 77 67.367 -5.422 -14.435 1.00 32.32 C ATOM 1125 CG GLU A 77 67.775 -4.645 -15.673 1.00 72.11 C ATOM 1126 CD GLU A 77 69.253 -4.334 -15.693 1.00 61.31 C ATOM 1127 OE1 GLU A 77 70.059 -5.282 -15.794 1.00 51.53 O ATOM 1128 OE2 GLU A 77 69.622 -3.143 -15.610 1.00 13.44 O ATOM 0 H GLU A 77 66.403 -6.539 -16.426 1.00 25.34 H new ATOM 0 HA GLU A 77 65.803 -6.636 -13.646 1.00 50.32 H new ATOM 0 HB2 GLU A 77 67.489 -4.783 -13.560 1.00 32.32 H new ATOM 0 HB3 GLU A 77 68.043 -6.268 -14.309 1.00 32.32 H new ATOM 0 HG2 GLU A 77 67.515 -5.219 -16.562 1.00 72.11 H new ATOM 0 HG3 GLU A 77 67.209 -3.714 -15.718 1.00 72.11 H new ATOM 1135 N VAL A 78 64.389 -4.678 -13.097 1.00 64.41 N ATOM 1136 CA VAL A 78 63.376 -3.675 -12.830 1.00 73.43 C ATOM 1137 C VAL A 78 63.993 -2.284 -12.826 1.00 32.33 C ATOM 1138 O VAL A 78 64.846 -1.966 -11.994 1.00 52.51 O ATOM 1139 CB VAL A 78 62.659 -3.930 -11.487 1.00 24.21 C ATOM 1140 CG1 VAL A 78 61.527 -2.934 -11.274 1.00 72.12 C ATOM 1141 CG2 VAL A 78 62.138 -5.357 -11.424 1.00 43.13 C ATOM 0 H VAL A 78 64.635 -5.258 -12.295 1.00 64.41 H new ATOM 0 HA VAL A 78 62.636 -3.741 -13.627 1.00 73.43 H new ATOM 0 HB VAL A 78 63.383 -3.791 -10.684 1.00 24.21 H new ATOM 0 HG11 VAL A 78 61.039 -3.136 -10.321 1.00 72.12 H new ATOM 0 HG12 VAL A 78 61.930 -1.921 -11.268 1.00 72.12 H new ATOM 0 HG13 VAL A 78 60.801 -3.031 -12.081 1.00 72.12 H new ATOM 0 HG21 VAL A 78 61.635 -5.519 -10.470 1.00 43.13 H new ATOM 0 HG22 VAL A 78 61.433 -5.523 -12.239 1.00 43.13 H new ATOM 0 HG23 VAL A 78 62.971 -6.053 -11.518 1.00 43.13 H new ATOM 1151 N ALA A 79 63.562 -1.459 -13.769 1.00 3.33 N ATOM 1152 CA ALA A 79 64.073 -0.100 -13.891 1.00 60.23 C ATOM 1153 C ALA A 79 63.409 0.829 -12.891 1.00 2.51 C ATOM 1154 O ALA A 79 63.738 2.014 -12.809 1.00 1.25 O ATOM 1155 CB ALA A 79 63.876 0.412 -15.309 1.00 62.23 C ATOM 0 H ALA A 79 62.857 -1.707 -14.463 1.00 3.33 H new ATOM 0 HA ALA A 79 65.140 -0.119 -13.670 1.00 60.23 H new ATOM 0 HB1 ALA A 79 64.262 1.428 -15.386 1.00 62.23 H new ATOM 0 HB2 ALA A 79 64.411 -0.233 -16.006 1.00 62.23 H new ATOM 0 HB3 ALA A 79 62.814 0.408 -15.553 1.00 62.23 H new ATOM 1161 N ARG A 80 62.490 0.259 -12.127 1.00 22.14 N ATOM 1162 CA ARG A 80 61.714 0.993 -11.126 1.00 25.32 C ATOM 1163 C ARG A 80 61.119 2.269 -11.716 1.00 22.14 C ATOM 1164 O ARG A 80 61.254 3.355 -11.149 1.00 44.31 O ATOM 1165 CB ARG A 80 62.578 1.307 -9.896 1.00 24.44 C ATOM 1166 CG ARG A 80 62.974 0.067 -9.111 1.00 42.52 C ATOM 1167 CD ARG A 80 63.753 0.408 -7.849 1.00 0.12 C ATOM 1168 NE ARG A 80 65.102 0.899 -8.132 1.00 11.41 N ATOM 1169 CZ ARG A 80 66.175 0.569 -7.408 1.00 65.24 C ATOM 1170 NH1 ARG A 80 66.053 -0.252 -6.368 1.00 52.54 N ATOM 1171 NH2 ARG A 80 67.366 1.064 -7.716 1.00 43.23 N ATOM 0 H ARG A 80 62.256 -0.732 -12.181 1.00 22.14 H new ATOM 0 HA ARG A 80 60.886 0.358 -10.809 1.00 25.32 H new ATOM 0 HB2 ARG A 80 63.479 1.829 -10.217 1.00 24.44 H new ATOM 0 HB3 ARG A 80 62.032 1.986 -9.240 1.00 24.44 H new ATOM 0 HG2 ARG A 80 62.078 -0.492 -8.842 1.00 42.52 H new ATOM 0 HG3 ARG A 80 63.578 -0.584 -9.744 1.00 42.52 H new ATOM 0 HD2 ARG A 80 63.207 1.163 -7.283 1.00 0.12 H new ATOM 0 HD3 ARG A 80 63.819 -0.478 -7.217 1.00 0.12 H new ATOM 0 HE ARG A 80 65.230 1.527 -8.925 1.00 11.41 H new ATOM 0 HH11 ARG A 80 65.139 -0.631 -6.122 1.00 52.54 H new ATOM 0 HH12 ARG A 80 66.874 -0.502 -5.817 1.00 52.54 H new ATOM 0 HH21 ARG A 80 67.465 1.699 -8.508 1.00 43.23 H new ATOM 0 HH22 ARG A 80 68.183 0.810 -7.161 1.00 43.23 H new ATOM 1185 N SER A 81 60.460 2.116 -12.859 1.00 71.12 N ATOM 1186 CA SER A 81 59.839 3.231 -13.550 1.00 65.15 C ATOM 1187 C SER A 81 58.653 3.763 -12.749 1.00 70.11 C ATOM 1188 O SER A 81 58.779 4.845 -12.145 1.00 75.42 O ATOM 1189 CB SER A 81 59.389 2.784 -14.943 1.00 34.45 C ATOM 1190 OG SER A 81 60.451 2.132 -15.630 1.00 1.20 O ATOM 1191 OXT SER A 81 57.608 3.078 -12.699 1.00 0.00 O ATOM 0 H SER A 81 60.344 1.218 -13.328 1.00 71.12 H new ATOM 0 HA SER A 81 60.566 4.036 -13.653 1.00 65.15 H new ATOM 0 HB2 SER A 81 58.537 2.109 -14.856 1.00 34.45 H new ATOM 0 HB3 SER A 81 59.054 3.648 -15.517 1.00 34.45 H new ATOM 0 HG SER A 81 60.143 1.852 -16.517 1.00 1.20 H new TER 1197 SER A 81 HETATM 1198 ZN ZN A 82 53.651 -17.345 -19.061 1.00 11.12 ZN