USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 740 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 33 SER OG : rot -12:sc= 0.239 USER MOD Set 1.2: A 55 SER OG : rot 80:sc= 0.476 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.0334 X(o=-7.2,f=-7.2) USER MOD Set 2.2: A 21 ASN : amide:sc= -7.17! C(o=-7.2!,f=-7.8!) USER MOD Set 3.1: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 121:sc= 0.462 USER MOD Single : A 17 ASN : amide:sc= 0.447 K(o=0.45,f=-6.3!) USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= 0.358 (180deg=-0.303) USER MOD Single : A 20 SER OG : rot -96:sc= -0.426! USER MOD Single : A 24 ASN : amide:sc= -0.0548 K(o=-0.055,f=-1.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.21! C(o=-7.2!,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.745 K(o=0.74,f=-2.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 150:sc= 0.0332 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 28:sc= 0.605 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00898 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0.697 (180deg=0.675) USER MOD Single : A 78 TYR OH : rot -156:sc= 0.322 USER MOD Single : A 83 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= -6.03! C(o=-6!,f=-9.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 64:sc= 0.0491 USER MOD Single : A 89 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= -1.22 (180deg=-3.18!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -153:sc= -0.259 (180deg=-1.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.727 -7.921 6.954 1.00 0.00 N ATOM 2 CA MET A 6 5.306 -7.642 7.093 1.00 0.00 C ATOM 3 C MET A 6 4.941 -6.318 6.439 1.00 0.00 C ATOM 4 O MET A 6 5.802 -5.475 6.191 1.00 0.00 O ATOM 5 CB MET A 6 4.903 -7.596 8.572 1.00 0.00 C ATOM 6 CG MET A 6 5.343 -6.329 9.295 1.00 0.00 C ATOM 7 SD MET A 6 7.138 -6.168 9.410 1.00 0.00 S ATOM 8 CE MET A 6 7.284 -4.546 10.155 1.00 0.00 C ATOM 0 HA MET A 6 4.767 -8.447 6.594 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.819 -7.686 8.646 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.330 -8.460 9.081 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.939 -5.461 8.774 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.918 -6.324 10.299 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.337 -4.302 10.291 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.820 -3.804 9.505 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.783 -4.544 11.123 1.00 0.00 H new ATOM 17 N ILE A 7 3.656 -6.153 6.163 1.00 0.00 N ATOM 18 CA ILE A 7 3.117 -4.885 5.699 1.00 0.00 C ATOM 19 C ILE A 7 1.898 -4.555 6.543 1.00 0.00 C ATOM 20 O ILE A 7 1.169 -5.457 6.954 1.00 0.00 O ATOM 21 CB ILE A 7 2.657 -4.937 4.213 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.597 -5.774 3.346 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.533 -3.533 3.624 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.910 -6.374 2.130 1.00 0.00 C ATOM 0 H ILE A 7 2.960 -6.893 6.254 1.00 0.00 H new ATOM 0 HA ILE A 7 3.906 -4.138 5.786 1.00 0.00 H new ATOM 0 HB ILE A 7 1.677 -5.415 4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.428 -5.151 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.020 -6.577 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.210 -3.601 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.800 -2.962 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.500 -3.032 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.630 -6.956 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.096 -7.022 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.510 -5.574 1.506 1.00 0.00 H new ATOM 36 N GLN A 8 1.682 -3.284 6.815 1.00 0.00 N ATOM 37 CA GLN A 8 0.491 -2.867 7.537 1.00 0.00 C ATOM 38 C GLN A 8 -0.208 -1.734 6.802 1.00 0.00 C ATOM 39 O GLN A 8 0.326 -0.632 6.685 1.00 0.00 O ATOM 40 CB GLN A 8 0.846 -2.458 8.968 1.00 0.00 C ATOM 41 CG GLN A 8 1.191 -3.640 9.868 1.00 0.00 C ATOM 42 CD GLN A 8 1.665 -3.206 11.241 1.00 0.00 C ATOM 43 OE1 GLN A 8 2.861 -3.031 11.470 1.00 0.00 O ATOM 44 NE2 GLN A 8 0.731 -3.023 12.164 1.00 0.00 N ATOM 0 H GLN A 8 2.309 -2.524 6.550 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.197 -3.711 7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.692 -1.771 8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.007 -1.914 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.314 -4.279 9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.967 -4.240 9.392 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.251 -3.179 11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.994 -2.726 13.104 1.00 0.00 H new ATOM 53 N VAL A 9 -1.391 -2.022 6.277 1.00 0.00 N ATOM 54 CA VAL A 9 -2.179 -1.015 5.584 1.00 0.00 C ATOM 55 C VAL A 9 -3.148 -0.324 6.527 1.00 0.00 C ATOM 56 O VAL A 9 -3.636 -0.916 7.490 1.00 0.00 O ATOM 57 CB VAL A 9 -2.975 -1.610 4.399 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.067 -1.852 3.210 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.655 -2.904 4.812 1.00 0.00 C ATOM 0 H VAL A 9 -1.825 -2.944 6.318 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.465 -0.288 5.197 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.740 -0.890 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.648 -2.271 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.620 -0.909 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.279 -2.551 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.211 -3.309 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.902 -3.625 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.341 -2.708 5.636 1.00 0.00 H new ATOM 69 N TYR A 10 -3.431 0.926 6.209 1.00 0.00 N ATOM 70 CA TYR A 10 -4.279 1.787 7.015 1.00 0.00 C ATOM 71 C TYR A 10 -4.866 2.864 6.124 1.00 0.00 C ATOM 72 O TYR A 10 -4.583 2.919 4.924 1.00 0.00 O ATOM 73 CB TYR A 10 -3.480 2.480 8.130 1.00 0.00 C ATOM 74 CG TYR A 10 -3.077 1.591 9.297 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.761 1.563 9.747 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.008 0.789 9.954 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.382 0.767 10.814 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.634 -0.014 11.021 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.322 -0.018 11.445 1.00 0.00 C ATOM 80 OH TYR A 10 -1.946 -0.806 12.508 1.00 0.00 O ATOM 0 H TYR A 10 -3.072 1.380 5.369 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.056 1.170 7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.578 2.908 7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.072 3.310 8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.020 2.175 9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.037 0.793 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.356 0.761 11.150 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.367 -0.633 11.517 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.725 -1.297 12.843 1.00 0.00 H new ATOM 90 N SER A 11 -5.679 3.714 6.711 1.00 0.00 N ATOM 91 CA SER A 11 -6.153 4.902 6.030 1.00 0.00 C ATOM 92 C SER A 11 -5.929 6.123 6.911 1.00 0.00 C ATOM 93 O SER A 11 -5.868 6.013 8.133 1.00 0.00 O ATOM 94 CB SER A 11 -7.638 4.780 5.703 1.00 0.00 C ATOM 95 OG SER A 11 -7.898 3.617 4.940 1.00 0.00 O ATOM 0 H SER A 11 -6.028 3.605 7.663 1.00 0.00 H new ATOM 0 HA SER A 11 -5.596 5.011 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.216 4.749 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.966 5.661 5.152 1.00 0.00 H new ATOM 0 HG SER A 11 -8.535 3.047 5.419 1.00 0.00 H new ATOM 101 N ARG A 12 -5.815 7.288 6.283 1.00 0.00 N ATOM 102 CA ARG A 12 -5.545 8.526 7.010 1.00 0.00 C ATOM 103 C ARG A 12 -6.836 9.112 7.587 1.00 0.00 C ATOM 104 O ARG A 12 -6.803 10.017 8.419 1.00 0.00 O ATOM 105 CB ARG A 12 -4.872 9.551 6.086 1.00 0.00 C ATOM 106 CG ARG A 12 -3.628 10.192 6.690 1.00 0.00 C ATOM 107 CD ARG A 12 -3.927 10.884 8.009 1.00 0.00 C ATOM 108 NE ARG A 12 -2.706 11.250 8.722 1.00 0.00 N ATOM 109 CZ ARG A 12 -2.683 11.745 9.959 1.00 0.00 C ATOM 110 NH1 ARG A 12 -3.815 11.975 10.614 1.00 0.00 N ATOM 111 NH2 ARG A 12 -1.523 12.024 10.537 1.00 0.00 N ATOM 0 H ARG A 12 -5.905 7.403 5.273 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.871 8.294 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.601 9.062 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.591 10.333 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.866 9.428 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.215 10.915 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.521 11.779 7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.530 10.226 8.635 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.815 11.118 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.711 11.773 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.789 12.354 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.650 11.860 10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.503 12.403 11.484 1.00 0.00 H new ATOM 125 N HIS A 13 -7.967 8.583 7.149 1.00 0.00 N ATOM 126 CA HIS A 13 -9.272 9.089 7.560 1.00 0.00 C ATOM 127 C HIS A 13 -10.205 7.909 7.854 1.00 0.00 C ATOM 128 O HIS A 13 -9.872 6.769 7.526 1.00 0.00 O ATOM 129 CB HIS A 13 -9.875 9.980 6.460 1.00 0.00 C ATOM 130 CG HIS A 13 -9.030 11.158 6.061 1.00 0.00 C ATOM 131 ND1 HIS A 13 -8.559 12.056 6.987 1.00 0.00 N ATOM 132 CD2 HIS A 13 -8.608 11.535 4.828 1.00 0.00 C ATOM 133 CE1 HIS A 13 -7.864 12.951 6.305 1.00 0.00 C ATOM 134 NE2 HIS A 13 -7.866 12.675 4.996 1.00 0.00 N ATOM 0 H HIS A 13 -8.010 7.795 6.502 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.153 9.691 8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.058 9.368 5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -10.844 10.346 6.800 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.816 11.034 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.359 13.797 6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.403 13.211 4.262 1.00 0.00 H new ATOM 142 N PRO A 14 -11.368 8.159 8.486 1.00 0.00 N ATOM 143 CA PRO A 14 -12.329 7.096 8.804 1.00 0.00 C ATOM 144 C PRO A 14 -13.029 6.547 7.559 1.00 0.00 C ATOM 145 O PRO A 14 -13.445 7.305 6.681 1.00 0.00 O ATOM 146 CB PRO A 14 -13.356 7.770 9.731 1.00 0.00 C ATOM 147 CG PRO A 14 -13.177 9.248 9.559 1.00 0.00 C ATOM 148 CD PRO A 14 -11.814 9.486 8.952 1.00 0.00 C ATOM 0 HA PRO A 14 -11.829 6.241 9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.371 7.469 9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.193 7.477 10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.957 9.654 8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.260 9.756 10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.868 10.197 8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.122 9.900 9.685 1.00 0.00 H new ATOM 156 N ALA A 15 -13.133 5.222 7.486 1.00 0.00 N ATOM 157 CA ALA A 15 -13.850 4.551 6.405 1.00 0.00 C ATOM 158 C ALA A 15 -15.329 4.917 6.412 1.00 0.00 C ATOM 159 O ALA A 15 -16.039 4.590 7.362 1.00 0.00 O ATOM 160 CB ALA A 15 -13.710 3.043 6.548 1.00 0.00 C ATOM 0 H ALA A 15 -12.725 4.586 8.171 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.414 4.879 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.247 2.549 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.656 2.770 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.126 2.728 7.505 1.00 0.00 H new ATOM 166 N GLU A 16 -15.793 5.611 5.379 1.00 0.00 N ATOM 167 CA GLU A 16 -17.220 5.865 5.242 1.00 0.00 C ATOM 168 C GLU A 16 -17.674 5.456 3.843 1.00 0.00 C ATOM 169 O GLU A 16 -17.529 6.230 2.901 1.00 0.00 O ATOM 170 CB GLU A 16 -17.550 7.350 5.507 1.00 0.00 C ATOM 171 CG GLU A 16 -18.850 7.582 6.260 1.00 0.00 C ATOM 172 CD GLU A 16 -18.922 6.807 7.563 1.00 0.00 C ATOM 173 OE1 GLU A 16 -18.711 7.411 8.636 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.201 5.589 7.521 1.00 0.00 O ATOM 0 H GLU A 16 -15.213 6.001 4.637 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.755 5.273 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.732 7.795 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.599 7.874 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.958 8.646 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.688 7.295 5.625 1.00 0.00 H new ATOM 181 N ASN A 17 -18.134 4.201 3.724 1.00 0.00 N ATOM 182 CA ASN A 17 -18.759 3.656 2.504 1.00 0.00 C ATOM 183 C ASN A 17 -19.311 4.746 1.561 1.00 0.00 C ATOM 184 O ASN A 17 -20.412 5.265 1.763 1.00 0.00 O ATOM 185 CB ASN A 17 -19.873 2.660 2.944 1.00 0.00 C ATOM 186 CG ASN A 17 -19.322 1.297 3.321 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.265 0.883 2.847 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.043 0.581 4.172 1.00 0.00 N ATOM 0 H ASN A 17 -18.082 3.523 4.484 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.996 3.143 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.413 3.077 3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.593 2.545 2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.726 -0.346 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.915 0.957 4.544 1.00 0.00 H new ATOM 195 N GLY A 18 -18.519 5.093 0.528 1.00 0.00 N ATOM 196 CA GLY A 18 -18.925 6.123 -0.433 1.00 0.00 C ATOM 197 C GLY A 18 -18.007 7.338 -0.458 1.00 0.00 C ATOM 198 O GLY A 18 -18.271 8.292 -1.186 1.00 0.00 O ATOM 0 H GLY A 18 -17.606 4.678 0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.958 5.684 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.937 6.449 -0.195 1.00 0.00 H new ATOM 202 N LYS A 19 -16.943 7.329 0.334 1.00 0.00 N ATOM 203 CA LYS A 19 -15.966 8.433 0.311 1.00 0.00 C ATOM 204 C LYS A 19 -14.719 8.049 -0.459 1.00 0.00 C ATOM 205 O LYS A 19 -14.362 6.877 -0.515 1.00 0.00 O ATOM 206 CB LYS A 19 -15.510 8.806 1.723 1.00 0.00 C ATOM 207 CG LYS A 19 -16.616 9.097 2.719 1.00 0.00 C ATOM 208 CD LYS A 19 -17.128 10.535 2.677 1.00 0.00 C ATOM 209 CE LYS A 19 -17.759 10.910 1.352 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.025 10.177 1.092 1.00 0.00 N ATOM 0 H LYS A 19 -16.727 6.584 0.996 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.473 9.272 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.900 7.992 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.867 9.683 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.449 8.420 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.252 8.881 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.860 10.676 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.300 11.214 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.955 11.982 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.053 10.705 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.925 9.606 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.236 9.553 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.801 10.858 0.969 1.00 0.00 H new ATOM 224 N SER A 20 -14.063 9.032 -1.062 1.00 0.00 N ATOM 225 CA SER A 20 -12.700 8.833 -1.523 1.00 0.00 C ATOM 226 C SER A 20 -11.744 9.506 -0.558 1.00 0.00 C ATOM 227 O SER A 20 -12.012 10.599 -0.055 1.00 0.00 O ATOM 228 CB SER A 20 -12.464 9.326 -2.956 1.00 0.00 C ATOM 229 OG SER A 20 -11.291 8.760 -3.511 1.00 0.00 O ATOM 0 H SER A 20 -14.447 9.960 -1.240 1.00 0.00 H new ATOM 0 HA SER A 20 -12.517 7.759 -1.546 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.322 9.069 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.382 10.413 -2.959 1.00 0.00 H new ATOM 0 HG SER A 20 -10.543 9.383 -3.400 1.00 0.00 H new ATOM 235 N ASN A 21 -10.629 8.855 -0.317 1.00 0.00 N ATOM 236 CA ASN A 21 -9.633 9.346 0.616 1.00 0.00 C ATOM 237 C ASN A 21 -8.280 8.950 0.047 1.00 0.00 C ATOM 238 O ASN A 21 -7.989 9.259 -1.103 1.00 0.00 O ATOM 239 CB ASN A 21 -9.802 8.785 2.053 1.00 0.00 C ATOM 240 CG ASN A 21 -11.213 8.892 2.642 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.213 8.586 2.002 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.297 9.327 3.886 1.00 0.00 N ATOM 0 H ASN A 21 -10.384 7.970 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.739 10.426 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.506 7.736 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.111 9.310 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.209 9.415 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.450 9.575 4.398 1.00 0.00 H new ATOM 249 N PHE A 22 -7.478 8.234 0.824 1.00 0.00 N ATOM 250 CA PHE A 22 -6.214 7.696 0.333 1.00 0.00 C ATOM 251 C PHE A 22 -5.876 6.391 1.041 1.00 0.00 C ATOM 252 O PHE A 22 -5.928 6.326 2.271 1.00 0.00 O ATOM 253 CB PHE A 22 -5.083 8.704 0.543 1.00 0.00 C ATOM 254 CG PHE A 22 -4.981 9.732 -0.547 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.148 9.364 -1.872 1.00 0.00 C ATOM 256 CD2 PHE A 22 -4.708 11.057 -0.252 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.046 10.298 -2.883 1.00 0.00 C ATOM 258 CE2 PHE A 22 -4.608 11.998 -1.259 1.00 0.00 C ATOM 259 CZ PHE A 22 -4.776 11.618 -2.575 1.00 0.00 C ATOM 0 H PHE A 22 -7.680 8.011 1.799 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.322 7.502 -0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.233 9.211 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.137 8.166 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.361 8.334 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.572 11.358 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.177 9.998 -3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.399 13.029 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.697 12.352 -3.364 1.00 0.00 H new ATOM 269 N LEU A 23 -5.548 5.351 0.271 1.00 0.00 N ATOM 270 CA LEU A 23 -5.143 4.074 0.870 1.00 0.00 C ATOM 271 C LEU A 23 -3.650 4.103 1.158 1.00 0.00 C ATOM 272 O LEU A 23 -2.834 4.278 0.253 1.00 0.00 O ATOM 273 CB LEU A 23 -5.501 2.866 -0.022 1.00 0.00 C ATOM 274 CG LEU A 23 -4.897 1.503 0.401 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.210 1.170 1.856 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.415 0.393 -0.501 1.00 0.00 C ATOM 0 H LEU A 23 -5.554 5.364 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.697 3.949 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.586 2.767 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.178 3.083 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.815 1.582 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.769 0.207 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.795 1.943 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.290 1.122 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.982 -0.559 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.501 0.339 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.133 0.602 -1.533 1.00 0.00 H new ATOM 288 N ASN A 24 -3.308 3.943 2.423 1.00 0.00 N ATOM 289 CA ASN A 24 -1.928 4.075 2.868 1.00 0.00 C ATOM 290 C ASN A 24 -1.326 2.717 3.219 1.00 0.00 C ATOM 291 O ASN A 24 -1.775 2.044 4.148 1.00 0.00 O ATOM 292 CB ASN A 24 -1.835 5.032 4.073 1.00 0.00 C ATOM 293 CG ASN A 24 -1.969 6.493 3.682 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.650 6.887 2.560 1.00 0.00 O ATOM 295 ND2 ASN A 24 -2.423 7.316 4.616 1.00 0.00 N ATOM 0 H ASN A 24 -3.970 3.720 3.167 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.352 4.495 2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.616 4.781 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.880 4.882 4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.518 8.312 4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.678 6.954 5.535 1.00 0.00 H new ATOM 302 N CYS A 25 -0.318 2.314 2.455 1.00 0.00 N ATOM 303 CA CYS A 25 0.409 1.071 2.699 1.00 0.00 C ATOM 304 C CYS A 25 1.823 1.386 3.188 1.00 0.00 C ATOM 305 O CYS A 25 2.601 2.007 2.461 1.00 0.00 O ATOM 306 CB CYS A 25 0.491 0.255 1.400 1.00 0.00 C ATOM 307 SG CYS A 25 1.746 -1.061 1.432 1.00 0.00 S ATOM 0 H CYS A 25 0.020 2.839 1.648 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.118 0.494 3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.483 -0.191 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.708 0.930 0.572 1.00 0.00 H new ATOM 312 N TYR A 26 2.157 0.986 4.412 1.00 0.00 N ATOM 313 CA TYR A 26 3.499 1.227 4.932 1.00 0.00 C ATOM 314 C TYR A 26 4.395 0.041 4.650 1.00 0.00 C ATOM 315 O TYR A 26 4.044 -1.101 4.948 1.00 0.00 O ATOM 316 CB TYR A 26 3.492 1.481 6.444 1.00 0.00 C ATOM 317 CG TYR A 26 2.565 2.583 6.893 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.279 2.295 7.320 1.00 0.00 C ATOM 319 CD2 TYR A 26 2.977 3.907 6.889 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.424 3.300 7.727 1.00 0.00 C ATOM 321 CE2 TYR A 26 2.131 4.920 7.298 1.00 0.00 C ATOM 322 CZ TYR A 26 0.854 4.612 7.713 1.00 0.00 C ATOM 323 OH TYR A 26 0.009 5.618 8.123 1.00 0.00 O ATOM 0 H TYR A 26 1.529 0.501 5.053 1.00 0.00 H new ATOM 0 HA TYR A 26 3.876 2.117 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.211 0.559 6.952 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.506 1.725 6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.940 1.270 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.977 4.151 6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.577 3.061 8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.468 5.946 7.292 1.00 0.00 H new ATOM 0 HH TYR A 26 0.469 6.481 8.052 1.00 0.00 H new ATOM 333 N VAL A 27 5.558 0.316 4.092 1.00 0.00 N ATOM 334 CA VAL A 27 6.547 -0.706 3.822 1.00 0.00 C ATOM 335 C VAL A 27 7.883 -0.214 4.386 1.00 0.00 C ATOM 336 O VAL A 27 8.504 0.680 3.819 1.00 0.00 O ATOM 337 CB VAL A 27 6.685 -0.954 2.299 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.712 -2.038 2.012 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.343 -1.324 1.682 1.00 0.00 C ATOM 0 H VAL A 27 5.843 1.255 3.813 1.00 0.00 H new ATOM 0 HA VAL A 27 6.246 -1.645 4.286 1.00 0.00 H new ATOM 0 HB VAL A 27 7.029 -0.025 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.788 -2.191 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.682 -1.733 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.403 -2.968 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.468 -1.493 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.965 -2.233 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.633 -0.512 1.840 1.00 0.00 H new ATOM 349 N SER A 28 8.323 -0.770 5.505 1.00 0.00 N ATOM 350 CA SER A 28 9.477 -0.210 6.198 1.00 0.00 C ATOM 351 C SER A 28 10.607 -1.230 6.370 1.00 0.00 C ATOM 352 O SER A 28 10.364 -2.428 6.522 1.00 0.00 O ATOM 353 CB SER A 28 9.042 0.328 7.563 1.00 0.00 C ATOM 354 OG SER A 28 10.051 1.135 8.145 1.00 0.00 O ATOM 0 H SER A 28 7.910 -1.591 5.947 1.00 0.00 H new ATOM 0 HA SER A 28 9.870 0.601 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.127 0.910 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.811 -0.505 8.227 1.00 0.00 H new ATOM 0 HG SER A 28 9.744 1.466 9.015 1.00 0.00 H new ATOM 360 N GLY A 29 11.843 -0.731 6.349 1.00 0.00 N ATOM 361 CA GLY A 29 13.012 -1.576 6.538 1.00 0.00 C ATOM 362 C GLY A 29 13.644 -1.999 5.228 1.00 0.00 C ATOM 363 O GLY A 29 14.756 -2.529 5.204 1.00 0.00 O ATOM 0 H GLY A 29 12.056 0.256 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.749 -1.041 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.726 -2.464 7.103 1.00 0.00 H new ATOM 367 N PHE A 30 12.936 -1.765 4.139 1.00 0.00 N ATOM 368 CA PHE A 30 13.381 -2.201 2.824 1.00 0.00 C ATOM 369 C PHE A 30 14.056 -1.071 2.069 1.00 0.00 C ATOM 370 O PHE A 30 13.761 0.098 2.297 1.00 0.00 O ATOM 371 CB PHE A 30 12.192 -2.719 2.024 1.00 0.00 C ATOM 372 CG PHE A 30 11.497 -3.882 2.699 1.00 0.00 C ATOM 373 CD1 PHE A 30 11.884 -5.190 2.429 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.479 -3.670 3.623 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.264 -6.258 3.057 1.00 0.00 C ATOM 376 CE2 PHE A 30 9.857 -4.736 4.253 1.00 0.00 C ATOM 377 CZ PHE A 30 10.253 -6.028 3.970 1.00 0.00 C ATOM 0 H PHE A 30 12.043 -1.272 4.138 1.00 0.00 H new ATOM 0 HA PHE A 30 14.109 -3.001 2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.477 -1.909 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.531 -3.028 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.678 -5.376 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.169 -2.661 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.571 -7.269 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.064 -4.557 4.964 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.772 -6.860 4.463 1.00 0.00 H new ATOM 387 N HIS A 31 14.956 -1.432 1.165 1.00 0.00 N ATOM 388 CA HIS A 31 15.669 -0.454 0.350 1.00 0.00 C ATOM 389 C HIS A 31 14.809 -0.057 -0.839 1.00 0.00 C ATOM 390 O HIS A 31 14.642 -0.849 -1.763 1.00 0.00 O ATOM 391 CB HIS A 31 16.994 -1.042 -0.154 1.00 0.00 C ATOM 392 CG HIS A 31 17.869 -1.593 0.928 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.357 -2.876 0.863 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.316 -1.007 2.066 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.082 -3.042 1.956 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.086 -1.937 2.718 1.00 0.00 N ATOM 0 H HIS A 31 15.212 -2.401 0.976 1.00 0.00 H new ATOM 0 HA HIS A 31 15.881 0.423 0.961 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.778 -1.834 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.542 -0.267 -0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.106 -0.000 2.396 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.606 -3.953 2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.568 -1.813 3.608 1.00 0.00 H new ATOM 404 N PRO A 32 14.268 1.180 -0.832 1.00 0.00 N ATOM 405 CA PRO A 32 13.308 1.669 -1.842 1.00 0.00 C ATOM 406 C PRO A 32 13.697 1.360 -3.285 1.00 0.00 C ATOM 407 O PRO A 32 12.841 1.284 -4.161 1.00 0.00 O ATOM 408 CB PRO A 32 13.319 3.181 -1.617 1.00 0.00 C ATOM 409 CG PRO A 32 13.581 3.322 -0.163 1.00 0.00 C ATOM 410 CD PRO A 32 14.547 2.215 0.187 1.00 0.00 C ATOM 0 HA PRO A 32 12.339 1.185 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.092 3.668 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.368 3.634 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.006 4.299 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.659 3.233 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.581 2.555 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.379 1.840 1.197 1.00 0.00 H new ATOM 418 N SER A 33 14.984 1.178 -3.522 1.00 0.00 N ATOM 419 CA SER A 33 15.484 0.978 -4.865 1.00 0.00 C ATOM 420 C SER A 33 15.190 -0.439 -5.396 1.00 0.00 C ATOM 421 O SER A 33 14.869 -0.596 -6.574 1.00 0.00 O ATOM 422 CB SER A 33 16.986 1.288 -4.903 1.00 0.00 C ATOM 423 OG SER A 33 17.499 1.207 -6.220 1.00 0.00 O ATOM 0 H SER A 33 15.702 1.165 -2.797 1.00 0.00 H new ATOM 0 HA SER A 33 14.959 1.665 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.163 2.287 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.519 0.588 -4.260 1.00 0.00 H new ATOM 0 HG SER A 33 16.833 0.791 -6.806 1.00 0.00 H new ATOM 429 N ASP A 34 15.290 -1.469 -4.550 1.00 0.00 N ATOM 430 CA ASP A 34 15.128 -2.847 -5.030 1.00 0.00 C ATOM 431 C ASP A 34 13.852 -3.505 -4.504 1.00 0.00 C ATOM 432 O ASP A 34 13.865 -4.691 -4.171 1.00 0.00 O ATOM 433 CB ASP A 34 16.324 -3.727 -4.615 1.00 0.00 C ATOM 434 CG ASP A 34 17.672 -3.131 -4.975 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.031 -3.128 -6.172 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.390 -2.681 -4.056 1.00 0.00 O ATOM 0 H ASP A 34 15.478 -1.381 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 34 15.068 -2.775 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.286 -3.893 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.229 -4.703 -5.092 1.00 0.00 H new ATOM 441 N ILE A 35 12.750 -2.764 -4.402 1.00 0.00 N ATOM 442 CA ILE A 35 11.499 -3.388 -3.973 1.00 0.00 C ATOM 443 C ILE A 35 10.349 -3.076 -4.929 1.00 0.00 C ATOM 444 O ILE A 35 10.449 -2.185 -5.779 1.00 0.00 O ATOM 445 CB ILE A 35 11.088 -2.989 -2.522 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.095 -1.809 -2.506 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.308 -2.667 -1.667 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.635 -1.430 -1.114 1.00 0.00 C ATOM 0 H ILE A 35 12.695 -1.765 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 35 11.693 -4.460 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 35 10.584 -3.854 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.563 -0.943 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.225 -2.067 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.986 -2.393 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.956 -3.542 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.855 -1.836 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.939 -0.594 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.138 -2.282 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.497 -1.141 -0.512 1.00 0.00 H new ATOM 460 N GLU A 36 9.267 -3.833 -4.782 1.00 0.00 N ATOM 461 CA GLU A 36 8.057 -3.645 -5.572 1.00 0.00 C ATOM 462 C GLU A 36 6.825 -3.682 -4.670 1.00 0.00 C ATOM 463 O GLU A 36 6.553 -4.695 -4.026 1.00 0.00 O ATOM 464 CB GLU A 36 7.937 -4.727 -6.643 1.00 0.00 C ATOM 465 CG GLU A 36 8.908 -4.551 -7.807 1.00 0.00 C ATOM 466 CD GLU A 36 8.883 -5.728 -8.753 1.00 0.00 C ATOM 467 OE1 GLU A 36 7.854 -5.930 -9.430 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.896 -6.453 -8.827 1.00 0.00 O ATOM 0 H GLU A 36 9.205 -4.597 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 36 8.119 -2.672 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.108 -5.701 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.918 -4.731 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.656 -3.642 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.918 -4.420 -7.419 1.00 0.00 H new ATOM 475 N VAL A 37 6.103 -2.574 -4.618 1.00 0.00 N ATOM 476 CA VAL A 37 4.880 -2.477 -3.819 1.00 0.00 C ATOM 477 C VAL A 37 3.737 -1.899 -4.657 1.00 0.00 C ATOM 478 O VAL A 37 3.921 -0.915 -5.376 1.00 0.00 O ATOM 479 CB VAL A 37 5.102 -1.646 -2.515 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.366 -0.812 -2.616 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.911 -0.749 -2.200 1.00 0.00 C ATOM 0 H VAL A 37 6.341 -1.720 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 37 4.604 -3.485 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 37 5.209 -2.359 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.500 -0.242 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.224 -1.468 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.283 -0.126 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.109 -0.190 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.752 -0.053 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.020 -1.362 -2.065 1.00 0.00 H new ATOM 491 N ASP A 38 2.565 -2.531 -4.580 1.00 0.00 N ATOM 492 CA ASP A 38 1.396 -2.103 -5.347 1.00 0.00 C ATOM 493 C ASP A 38 0.152 -2.136 -4.449 1.00 0.00 C ATOM 494 O ASP A 38 0.121 -2.857 -3.452 1.00 0.00 O ATOM 495 CB ASP A 38 1.169 -3.016 -6.582 1.00 0.00 C ATOM 496 CG ASP A 38 2.300 -2.959 -7.600 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.136 -2.296 -8.646 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.350 -3.600 -7.370 1.00 0.00 O ATOM 0 H ASP A 38 2.401 -3.346 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 38 1.573 -1.087 -5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.047 -4.045 -6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.238 -2.728 -7.070 1.00 0.00 H new ATOM 503 N LEU A 39 -0.868 -1.368 -4.819 1.00 0.00 N ATOM 504 CA LEU A 39 -2.119 -1.327 -4.060 1.00 0.00 C ATOM 505 C LEU A 39 -3.195 -2.126 -4.807 1.00 0.00 C ATOM 506 O LEU A 39 -3.430 -1.896 -5.997 1.00 0.00 O ATOM 507 CB LEU A 39 -2.569 0.127 -3.804 1.00 0.00 C ATOM 508 CG LEU A 39 -1.987 0.800 -2.539 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.489 1.027 -2.649 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.687 2.118 -2.255 1.00 0.00 C ATOM 0 H LEU A 39 -0.855 -0.764 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.958 -1.784 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.297 0.729 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.657 0.143 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.163 0.114 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.125 1.502 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.015 0.070 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.280 1.672 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.260 2.572 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.554 2.791 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.751 1.939 -2.098 1.00 0.00 H new ATOM 522 N LEU A 40 -3.815 -3.089 -4.120 1.00 0.00 N ATOM 523 CA LEU A 40 -4.701 -4.065 -4.765 1.00 0.00 C ATOM 524 C LEU A 40 -6.127 -4.050 -4.211 1.00 0.00 C ATOM 525 O LEU A 40 -6.409 -3.431 -3.187 1.00 0.00 O ATOM 526 CB LEU A 40 -4.173 -5.492 -4.576 1.00 0.00 C ATOM 527 CG LEU A 40 -2.720 -5.767 -4.980 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.526 -7.266 -5.134 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.339 -5.065 -6.274 1.00 0.00 C ATOM 0 H LEU A 40 -3.720 -3.215 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.719 -3.774 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.286 -5.756 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.814 -6.166 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.072 -5.374 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.495 -7.472 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.744 -7.760 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.199 -7.643 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.301 -5.290 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.985 -5.412 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.458 -3.988 -6.152 1.00 0.00 H new ATOM 541 N LYS A 41 -7.005 -4.762 -4.924 1.00 0.00 N ATOM 542 CA LYS A 41 -8.357 -5.083 -4.480 1.00 0.00 C ATOM 543 C LYS A 41 -8.545 -6.581 -4.566 1.00 0.00 C ATOM 544 O LYS A 41 -8.747 -7.095 -5.662 1.00 0.00 O ATOM 545 CB LYS A 41 -9.411 -4.460 -5.405 1.00 0.00 C ATOM 546 CG LYS A 41 -8.980 -3.124 -5.977 1.00 0.00 C ATOM 547 CD LYS A 41 -9.950 -2.531 -7.056 1.00 0.00 C ATOM 548 CE LYS A 41 -11.471 -2.547 -6.734 1.00 0.00 C ATOM 549 NZ LYS A 41 -12.269 -2.415 -7.982 1.00 0.00 N ATOM 0 H LYS A 41 -6.786 -5.138 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.478 -4.700 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.621 -5.149 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.341 -4.329 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.885 -2.408 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.990 -3.236 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.656 -1.498 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.796 -3.079 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.731 -3.475 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.713 -1.731 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.282 -2.427 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.033 -1.518 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.051 -3.207 -8.619 1.00 0.00 H new ATOM 563 N ASN A 42 -8.526 -7.277 -3.438 1.00 0.00 N ATOM 564 CA ASN A 42 -8.680 -8.735 -3.432 1.00 0.00 C ATOM 565 C ASN A 42 -7.777 -9.370 -4.497 1.00 0.00 C ATOM 566 O ASN A 42 -8.210 -10.239 -5.258 1.00 0.00 O ATOM 567 CB ASN A 42 -10.155 -9.127 -3.708 1.00 0.00 C ATOM 568 CG ASN A 42 -11.194 -8.153 -3.185 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.888 -8.423 -2.208 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.330 -7.020 -3.871 1.00 0.00 N ATOM 0 H ASN A 42 -8.406 -6.862 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.391 -9.103 -2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.290 -9.233 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.343 -10.105 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.032 -6.335 -3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.732 -6.837 -4.677 1.00 0.00 H new ATOM 577 N GLY A 43 -6.521 -8.934 -4.539 1.00 0.00 N ATOM 578 CA GLY A 43 -5.597 -9.443 -5.538 1.00 0.00 C ATOM 579 C GLY A 43 -5.775 -8.847 -6.932 1.00 0.00 C ATOM 580 O GLY A 43 -5.425 -9.488 -7.922 1.00 0.00 O ATOM 0 H GLY A 43 -6.128 -8.241 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.578 -9.251 -5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.712 -10.525 -5.603 1.00 0.00 H new ATOM 584 N GLU A 44 -6.305 -7.632 -7.022 1.00 0.00 N ATOM 585 CA GLU A 44 -6.530 -6.983 -8.318 1.00 0.00 C ATOM 586 C GLU A 44 -5.915 -5.582 -8.303 1.00 0.00 C ATOM 587 O GLU A 44 -6.330 -4.732 -7.521 1.00 0.00 O ATOM 588 CB GLU A 44 -8.035 -6.914 -8.628 1.00 0.00 C ATOM 589 CG GLU A 44 -8.377 -6.269 -9.968 1.00 0.00 C ATOM 590 CD GLU A 44 -7.836 -7.044 -11.150 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.739 -6.709 -11.640 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.515 -7.985 -11.608 1.00 0.00 O ATOM 0 H GLU A 44 -6.588 -7.074 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.051 -7.570 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.443 -7.925 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.531 -6.356 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.460 -6.186 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.976 -5.256 -9.990 1.00 0.00 H new ATOM 599 N ARG A 45 -4.900 -5.368 -9.141 1.00 0.00 N ATOM 600 CA ARG A 45 -4.178 -4.089 -9.196 1.00 0.00 C ATOM 601 C ARG A 45 -5.141 -2.920 -9.432 1.00 0.00 C ATOM 602 O ARG A 45 -5.835 -2.865 -10.444 1.00 0.00 O ATOM 603 CB ARG A 45 -3.106 -4.127 -10.313 1.00 0.00 C ATOM 604 CG ARG A 45 -1.745 -3.552 -9.907 1.00 0.00 C ATOM 605 CD ARG A 45 -0.727 -3.517 -11.061 1.00 0.00 C ATOM 606 NE ARG A 45 -0.858 -2.316 -11.884 1.00 0.00 N ATOM 607 CZ ARG A 45 0.094 -1.386 -11.993 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.190 -1.462 -11.245 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.070 -0.362 -12.824 1.00 0.00 N ATOM 0 H ARG A 45 -4.555 -6.068 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.688 -3.937 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.969 -5.160 -10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.478 -3.573 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.885 -2.541 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.337 -4.147 -9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.283 -3.566 -10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.861 -4.399 -11.687 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.725 -2.181 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.305 -2.232 -10.586 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.916 -0.750 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.923 -0.287 -13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.657 0.349 -12.907 1.00 0.00 H new ATOM 623 N ILE A 46 -5.175 -1.999 -8.464 1.00 0.00 N ATOM 624 CA ILE A 46 -6.029 -0.818 -8.524 1.00 0.00 C ATOM 625 C ILE A 46 -5.651 0.063 -9.708 1.00 0.00 C ATOM 626 O ILE A 46 -6.488 0.315 -10.570 1.00 0.00 O ATOM 627 CB ILE A 46 -5.929 -0.013 -7.209 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.358 -0.905 -6.040 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.776 1.260 -7.274 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.187 -0.292 -4.677 1.00 0.00 C ATOM 0 H ILE A 46 -4.609 -2.055 -7.617 1.00 0.00 H new ATOM 0 HA ILE A 46 -7.059 -1.150 -8.656 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.896 0.299 -7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.406 -1.173 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.785 -1.831 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.686 1.805 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.427 1.888 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.820 0.994 -7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.518 -0.999 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.136 -0.050 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.783 0.618 -4.610 1.00 0.00 H new ATOM 642 N GLU A 47 -4.428 0.613 -9.642 1.00 0.00 N ATOM 643 CA GLU A 47 -3.692 1.172 -10.799 1.00 0.00 C ATOM 644 C GLU A 47 -3.419 2.648 -10.611 1.00 0.00 C ATOM 645 O GLU A 47 -2.393 3.148 -11.069 1.00 0.00 O ATOM 646 CB GLU A 47 -4.402 0.981 -12.143 1.00 0.00 C ATOM 647 CG GLU A 47 -4.424 -0.457 -12.649 1.00 0.00 C ATOM 648 CD GLU A 47 -3.192 -0.811 -13.445 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.500 0.114 -13.919 1.00 0.00 O ATOM 650 OE2 GLU A 47 -2.901 -2.016 -13.602 1.00 0.00 O ATOM 0 H GLU A 47 -3.908 0.685 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.761 0.607 -10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.428 1.336 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.914 1.608 -12.889 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.511 -1.136 -11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.308 -0.607 -13.269 1.00 0.00 H new ATOM 657 N LYS A 48 -4.315 3.358 -9.932 1.00 0.00 N ATOM 658 CA LYS A 48 -4.157 4.797 -9.755 1.00 0.00 C ATOM 659 C LYS A 48 -3.203 5.076 -8.604 1.00 0.00 C ATOM 660 O LYS A 48 -3.530 5.821 -7.682 1.00 0.00 O ATOM 661 CB LYS A 48 -5.505 5.479 -9.462 1.00 0.00 C ATOM 662 CG LYS A 48 -6.660 5.072 -10.386 1.00 0.00 C ATOM 663 CD LYS A 48 -6.239 5.034 -11.853 1.00 0.00 C ATOM 664 CE LYS A 48 -5.627 6.352 -12.311 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.236 6.321 -13.747 1.00 0.00 N ATOM 0 H LYS A 48 -5.151 2.965 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.755 5.202 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.789 5.258 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.370 6.558 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.031 4.090 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.485 5.774 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.518 4.230 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.106 4.804 -12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.342 7.159 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.751 6.575 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.825 7.238 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.534 5.569 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.076 6.135 -14.332 1.00 0.00 H new ATOM 679 N VAL A 49 -2.025 4.490 -8.665 1.00 0.00 N ATOM 680 CA VAL A 49 -1.061 4.630 -7.594 1.00 0.00 C ATOM 681 C VAL A 49 0.219 5.211 -8.172 1.00 0.00 C ATOM 682 O VAL A 49 0.717 4.747 -9.201 1.00 0.00 O ATOM 683 CB VAL A 49 -0.798 3.278 -6.861 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.621 2.771 -7.055 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.093 3.410 -5.382 1.00 0.00 C ATOM 0 H VAL A 49 -1.712 3.912 -9.445 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.462 5.305 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.471 2.547 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.746 1.828 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.810 2.616 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.326 3.505 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.904 2.458 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.451 4.177 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.137 3.690 -5.243 1.00 0.00 H new ATOM 695 N GLU A 50 0.716 6.255 -7.541 1.00 0.00 N ATOM 696 CA GLU A 50 1.916 6.922 -8.031 1.00 0.00 C ATOM 697 C GLU A 50 2.744 7.474 -6.880 1.00 0.00 C ATOM 698 O GLU A 50 2.317 8.392 -6.182 1.00 0.00 O ATOM 699 CB GLU A 50 1.559 8.080 -8.988 1.00 0.00 C ATOM 700 CG GLU A 50 0.830 7.688 -10.276 1.00 0.00 C ATOM 701 CD GLU A 50 0.464 8.903 -11.092 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.660 9.421 -10.922 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.301 9.355 -11.902 1.00 0.00 O ATOM 0 H GLU A 50 0.316 6.661 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 50 2.498 6.175 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.939 8.794 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.479 8.598 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.464 7.027 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.072 7.128 -10.029 1.00 0.00 H new ATOM 710 N HIS A 51 3.921 6.903 -6.683 1.00 0.00 N ATOM 711 CA HIS A 51 4.924 7.478 -5.821 1.00 0.00 C ATOM 712 C HIS A 51 6.262 6.983 -6.325 1.00 0.00 C ATOM 713 O HIS A 51 6.408 5.803 -6.643 1.00 0.00 O ATOM 714 CB HIS A 51 4.703 7.084 -4.358 1.00 0.00 C ATOM 715 CG HIS A 51 5.434 7.961 -3.377 1.00 0.00 C ATOM 716 ND1 HIS A 51 4.763 8.901 -2.631 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.756 8.009 -3.056 1.00 0.00 C ATOM 718 CE1 HIS A 51 5.675 9.492 -1.881 1.00 0.00 C ATOM 719 NE2 HIS A 51 6.894 8.987 -2.105 1.00 0.00 N ATOM 0 H HIS A 51 4.202 6.026 -7.120 1.00 0.00 H new ATOM 0 HA HIS A 51 4.875 8.567 -5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.636 7.120 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.023 6.052 -4.217 1.00 0.00 H new ATOM 0 HD1 HIS A 51 3.763 9.101 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.543 7.396 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.464 10.283 -1.176 1.00 0.00 H new ATOM 727 N SER A 52 7.225 7.867 -6.434 1.00 0.00 N ATOM 728 CA SER A 52 8.455 7.529 -7.128 1.00 0.00 C ATOM 729 C SER A 52 9.529 7.017 -6.180 1.00 0.00 C ATOM 730 O SER A 52 9.802 7.604 -5.131 1.00 0.00 O ATOM 731 CB SER A 52 8.952 8.756 -7.891 1.00 0.00 C ATOM 732 OG SER A 52 7.960 9.205 -8.805 1.00 0.00 O ATOM 0 H SER A 52 7.187 8.815 -6.058 1.00 0.00 H new ATOM 0 HA SER A 52 8.242 6.719 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.198 9.554 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.868 8.511 -8.429 1.00 0.00 H new ATOM 0 HG SER A 52 8.291 9.992 -9.286 1.00 0.00 H new ATOM 738 N ASP A 53 10.114 5.891 -6.577 1.00 0.00 N ATOM 739 CA ASP A 53 11.146 5.217 -5.807 1.00 0.00 C ATOM 740 C ASP A 53 12.469 5.944 -5.960 1.00 0.00 C ATOM 741 O ASP A 53 12.647 6.745 -6.880 1.00 0.00 O ATOM 742 CB ASP A 53 11.307 3.761 -6.266 1.00 0.00 C ATOM 743 CG ASP A 53 11.953 3.646 -7.637 1.00 0.00 C ATOM 744 OD1 ASP A 53 13.150 3.278 -7.714 1.00 0.00 O ATOM 745 OD2 ASP A 53 11.273 3.931 -8.644 1.00 0.00 O ATOM 0 H ASP A 53 9.881 5.419 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 53 10.845 5.223 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.911 3.220 -5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.329 3.281 -6.289 1.00 0.00 H new ATOM 750 N LEU A 54 13.397 5.652 -5.069 1.00 0.00 N ATOM 751 CA LEU A 54 14.685 6.311 -5.073 1.00 0.00 C ATOM 752 C LEU A 54 15.761 5.362 -4.556 1.00 0.00 C ATOM 753 O LEU A 54 15.622 4.761 -3.494 1.00 0.00 O ATOM 754 CB LEU A 54 14.642 7.661 -4.283 1.00 0.00 C ATOM 755 CG LEU A 54 14.110 7.700 -2.805 1.00 0.00 C ATOM 756 CD1 LEU A 54 12.674 7.196 -2.662 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.016 6.964 -1.824 1.00 0.00 C ATOM 0 H LEU A 54 13.280 4.959 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 54 14.942 6.572 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.656 8.060 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.033 8.355 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 54 14.118 8.759 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.372 7.251 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.009 7.815 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.616 6.162 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.594 7.027 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.097 5.918 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.006 7.420 -1.831 1.00 0.00 H new ATOM 769 N SER A 55 16.797 5.153 -5.360 1.00 0.00 N ATOM 770 CA SER A 55 17.969 4.390 -4.943 1.00 0.00 C ATOM 771 C SER A 55 18.795 5.156 -3.913 1.00 0.00 C ATOM 772 O SER A 55 19.784 4.650 -3.391 1.00 0.00 O ATOM 773 CB SER A 55 18.823 4.055 -6.173 1.00 0.00 C ATOM 774 OG SER A 55 19.734 3.004 -5.899 1.00 0.00 O ATOM 0 H SER A 55 16.849 5.506 -6.316 1.00 0.00 H new ATOM 0 HA SER A 55 17.632 3.467 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.175 3.770 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.372 4.942 -6.489 1.00 0.00 H new ATOM 0 HG SER A 55 19.265 2.145 -5.943 1.00 0.00 H new ATOM 780 N PHE A 56 18.372 6.370 -3.614 1.00 0.00 N ATOM 781 CA PHE A 56 19.170 7.273 -2.804 1.00 0.00 C ATOM 782 C PHE A 56 18.609 7.334 -1.391 1.00 0.00 C ATOM 783 O PHE A 56 18.460 8.409 -0.807 1.00 0.00 O ATOM 784 CB PHE A 56 19.191 8.659 -3.447 1.00 0.00 C ATOM 785 CG PHE A 56 19.644 8.629 -4.878 1.00 0.00 C ATOM 786 CD1 PHE A 56 18.738 8.822 -5.910 1.00 0.00 C ATOM 787 CD2 PHE A 56 20.971 8.388 -5.192 1.00 0.00 C ATOM 788 CE1 PHE A 56 19.150 8.776 -7.228 1.00 0.00 C ATOM 789 CE2 PHE A 56 21.390 8.343 -6.507 1.00 0.00 C ATOM 790 CZ PHE A 56 20.477 8.535 -7.527 1.00 0.00 C ATOM 0 H PHE A 56 17.478 6.755 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 56 20.194 6.905 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 56 18.193 9.094 -3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 56 19.852 9.310 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.699 9.010 -5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.687 8.233 -4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.436 8.928 -8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.429 8.158 -6.738 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.801 8.497 -8.557 1.00 0.00 H new ATOM 800 N SER A 57 18.272 6.167 -0.854 1.00 0.00 N ATOM 801 CA SER A 57 17.740 6.074 0.495 1.00 0.00 C ATOM 802 C SER A 57 18.830 6.313 1.539 1.00 0.00 C ATOM 803 O SER A 57 19.548 5.392 1.930 1.00 0.00 O ATOM 804 CB SER A 57 17.083 4.707 0.698 1.00 0.00 C ATOM 805 OG SER A 57 17.831 3.680 0.065 1.00 0.00 O ATOM 0 H SER A 57 18.359 5.272 -1.335 1.00 0.00 H new ATOM 0 HA SER A 57 16.988 6.852 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.999 4.495 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.070 4.724 0.296 1.00 0.00 H new ATOM 0 HG SER A 57 17.718 2.841 0.559 1.00 0.00 H new ATOM 811 N LYS A 58 18.959 7.561 1.962 1.00 0.00 N ATOM 812 CA LYS A 58 19.917 7.930 2.991 1.00 0.00 C ATOM 813 C LYS A 58 19.203 8.074 4.330 1.00 0.00 C ATOM 814 O LYS A 58 18.314 8.919 4.473 1.00 0.00 O ATOM 815 CB LYS A 58 20.606 9.243 2.609 1.00 0.00 C ATOM 816 CG LYS A 58 21.832 9.568 3.445 1.00 0.00 C ATOM 817 CD LYS A 58 22.924 8.517 3.279 1.00 0.00 C ATOM 818 CE LYS A 58 23.319 8.339 1.820 1.00 0.00 C ATOM 819 NZ LYS A 58 24.473 7.416 1.660 1.00 0.00 N ATOM 0 H LYS A 58 18.407 8.341 1.605 1.00 0.00 H new ATOM 0 HA LYS A 58 20.674 7.150 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.897 9.196 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.889 10.058 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.220 10.545 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.549 9.635 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.799 8.807 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.577 7.565 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.467 7.954 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.570 9.310 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.707 7.325 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.294 7.795 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.226 6.482 2.044 1.00 0.00 H new ATOM 833 N ASP A 59 19.593 7.240 5.296 1.00 0.00 N ATOM 834 CA ASP A 59 18.925 7.182 6.599 1.00 0.00 C ATOM 835 C ASP A 59 17.466 6.772 6.377 1.00 0.00 C ATOM 836 O ASP A 59 17.145 6.140 5.369 1.00 0.00 O ATOM 837 CB ASP A 59 19.011 8.552 7.305 1.00 0.00 C ATOM 838 CG ASP A 59 18.843 8.472 8.817 1.00 0.00 C ATOM 839 OD1 ASP A 59 19.853 8.603 9.540 1.00 0.00 O ATOM 840 OD2 ASP A 59 17.702 8.308 9.295 1.00 0.00 O ATOM 0 H ASP A 59 20.374 6.591 5.200 1.00 0.00 H new ATOM 0 HA ASP A 59 19.415 6.449 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.975 9.008 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.244 9.210 6.897 1.00 0.00 H new ATOM 845 N TRP A 60 16.589 7.110 7.303 1.00 0.00 N ATOM 846 CA TRP A 60 15.174 6.859 7.123 1.00 0.00 C ATOM 847 C TRP A 60 14.361 8.001 7.718 1.00 0.00 C ATOM 848 O TRP A 60 13.788 7.879 8.801 1.00 0.00 O ATOM 849 CB TRP A 60 14.759 5.523 7.746 1.00 0.00 C ATOM 850 CG TRP A 60 13.517 4.981 7.116 1.00 0.00 C ATOM 851 CD1 TRP A 60 12.235 5.430 7.303 1.00 0.00 C ATOM 852 CD2 TRP A 60 13.434 3.895 6.177 1.00 0.00 C ATOM 853 NE1 TRP A 60 11.373 4.710 6.521 1.00 0.00 N ATOM 854 CE2 TRP A 60 12.077 3.762 5.828 1.00 0.00 C ATOM 855 CE3 TRP A 60 14.372 3.022 5.587 1.00 0.00 C ATOM 856 CZ2 TRP A 60 11.628 2.807 4.923 1.00 0.00 C ATOM 857 CZ3 TRP A 60 13.917 2.075 4.691 1.00 0.00 C ATOM 858 CH2 TRP A 60 12.559 1.974 4.364 1.00 0.00 C ATOM 0 H TRP A 60 16.832 7.559 8.186 1.00 0.00 H new ATOM 0 HA TRP A 60 14.974 6.800 6.053 1.00 0.00 H new ATOM 0 HB2 TRP A 60 15.569 4.802 7.633 1.00 0.00 H new ATOM 0 HB3 TRP A 60 14.596 5.655 8.816 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.948 6.232 7.968 1.00 0.00 H new ATOM 0 HE1 TRP A 60 10.365 4.856 6.464 1.00 0.00 H new ATOM 0 HE3 TRP A 60 15.422 3.093 5.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.581 2.725 4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 14.623 1.398 4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.240 1.223 3.656 1.00 0.00 H new ATOM 869 N SER A 61 14.335 9.115 7.007 1.00 0.00 N ATOM 870 CA SER A 61 13.581 10.285 7.434 1.00 0.00 C ATOM 871 C SER A 61 12.440 10.578 6.458 1.00 0.00 C ATOM 872 O SER A 61 11.719 11.567 6.592 1.00 0.00 O ATOM 873 CB SER A 61 14.529 11.480 7.531 1.00 0.00 C ATOM 874 OG SER A 61 15.372 11.543 6.389 1.00 0.00 O ATOM 0 H SER A 61 14.831 9.236 6.124 1.00 0.00 H new ATOM 0 HA SER A 61 13.139 10.094 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.953 12.402 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.135 11.398 8.433 1.00 0.00 H new ATOM 0 HG SER A 61 15.971 12.315 6.467 1.00 0.00 H new ATOM 880 N PHE A 62 12.283 9.695 5.483 1.00 0.00 N ATOM 881 CA PHE A 62 11.279 9.861 4.435 1.00 0.00 C ATOM 882 C PHE A 62 10.135 8.869 4.600 1.00 0.00 C ATOM 883 O PHE A 62 8.973 9.246 4.460 1.00 0.00 O ATOM 884 CB PHE A 62 11.910 9.698 3.044 1.00 0.00 C ATOM 885 CG PHE A 62 13.244 8.989 3.038 1.00 0.00 C ATOM 886 CD1 PHE A 62 13.372 7.703 3.544 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.369 9.614 2.519 1.00 0.00 C ATOM 888 CE1 PHE A 62 14.592 7.058 3.535 1.00 0.00 C ATOM 889 CE2 PHE A 62 15.592 8.971 2.509 1.00 0.00 C ATOM 890 CZ PHE A 62 15.701 7.693 3.016 1.00 0.00 C ATOM 0 H PHE A 62 12.843 8.847 5.393 1.00 0.00 H new ATOM 0 HA PHE A 62 10.877 10.870 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.218 9.147 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.036 10.685 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.506 7.201 3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.288 10.614 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.678 6.058 3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.461 9.468 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.656 7.189 3.007 1.00 0.00 H new ATOM 900 N TYR A 63 10.478 7.605 4.889 1.00 0.00 N ATOM 901 CA TYR A 63 9.489 6.535 5.062 1.00 0.00 C ATOM 902 C TYR A 63 8.873 6.154 3.704 1.00 0.00 C ATOM 903 O TYR A 63 8.759 6.993 2.811 1.00 0.00 O ATOM 904 CB TYR A 63 8.428 6.975 6.096 1.00 0.00 C ATOM 905 CG TYR A 63 7.699 5.835 6.806 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.489 6.056 7.466 1.00 0.00 C ATOM 907 CD2 TYR A 63 8.230 4.547 6.836 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.838 5.025 8.134 1.00 0.00 C ATOM 909 CE2 TYR A 63 7.582 3.517 7.496 1.00 0.00 C ATOM 910 CZ TYR A 63 6.391 3.762 8.142 1.00 0.00 C ATOM 911 OH TYR A 63 5.750 2.742 8.805 1.00 0.00 O ATOM 0 H TYR A 63 11.444 7.299 5.008 1.00 0.00 H new ATOM 0 HA TYR A 63 9.972 5.638 5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.913 7.598 6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.690 7.599 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.052 7.043 7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 63 9.166 4.348 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.904 5.212 8.644 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.009 2.525 7.504 1.00 0.00 H new ATOM 0 HH TYR A 63 6.269 1.916 8.714 1.00 0.00 H new ATOM 921 N LEU A 64 8.491 4.889 3.534 1.00 0.00 N ATOM 922 CA LEU A 64 7.933 4.445 2.260 1.00 0.00 C ATOM 923 C LEU A 64 6.424 4.357 2.360 1.00 0.00 C ATOM 924 O LEU A 64 5.884 3.660 3.224 1.00 0.00 O ATOM 925 CB LEU A 64 8.460 3.044 1.904 1.00 0.00 C ATOM 926 CG LEU A 64 9.715 2.962 1.028 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.286 1.548 1.061 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.395 3.346 -0.408 1.00 0.00 C ATOM 0 H LEU A 64 8.556 4.165 4.250 1.00 0.00 H new ATOM 0 HA LEU A 64 8.227 5.164 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.664 2.515 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.661 2.502 1.398 1.00 0.00 H new ATOM 0 HG LEU A 64 10.452 3.661 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.177 1.501 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.548 1.285 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.541 0.846 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.300 3.281 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.642 2.666 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.013 4.367 -0.435 1.00 0.00 H new ATOM 940 N LEU A 65 5.757 5.079 1.476 1.00 0.00 N ATOM 941 CA LEU A 65 4.308 5.055 1.376 1.00 0.00 C ATOM 942 C LEU A 65 3.878 5.433 -0.042 1.00 0.00 C ATOM 943 O LEU A 65 4.544 6.226 -0.705 1.00 0.00 O ATOM 944 CB LEU A 65 3.720 6.048 2.386 1.00 0.00 C ATOM 945 CG LEU A 65 2.213 6.302 2.292 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.433 5.017 2.506 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.790 7.352 3.306 1.00 0.00 C ATOM 0 H LEU A 65 6.207 5.701 0.805 1.00 0.00 H new ATOM 0 HA LEU A 65 3.942 4.052 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.944 5.687 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.235 7.001 2.268 1.00 0.00 H new ATOM 0 HG LEU A 65 1.992 6.672 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.365 5.223 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.714 4.290 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.659 4.614 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.716 7.522 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.030 7.005 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.320 8.283 3.108 1.00 0.00 H new ATOM 959 N TYR A 66 2.776 4.851 -0.497 1.00 0.00 N ATOM 960 CA TYR A 66 2.212 5.135 -1.818 1.00 0.00 C ATOM 961 C TYR A 66 0.741 5.508 -1.641 1.00 0.00 C ATOM 962 O TYR A 66 0.151 5.173 -0.615 1.00 0.00 O ATOM 963 CB TYR A 66 2.346 3.900 -2.733 1.00 0.00 C ATOM 964 CG TYR A 66 3.787 3.591 -3.122 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.703 3.114 -2.188 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.232 3.791 -4.425 1.00 0.00 C ATOM 967 CE1 TYR A 66 6.015 2.844 -2.546 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.539 3.522 -4.787 1.00 0.00 C ATOM 969 CZ TYR A 66 6.425 3.050 -3.844 1.00 0.00 C ATOM 970 OH TYR A 66 7.726 2.781 -4.201 1.00 0.00 O ATOM 0 H TYR A 66 2.243 4.166 0.039 1.00 0.00 H new ATOM 0 HA TYR A 66 2.751 5.959 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.920 3.034 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.759 4.061 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.386 2.952 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.543 4.164 -5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.713 2.474 -1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.864 3.681 -5.805 1.00 0.00 H new ATOM 0 HH TYR A 66 7.852 2.979 -5.153 1.00 0.00 H new ATOM 980 N TYR A 67 0.134 6.185 -2.616 1.00 0.00 N ATOM 981 CA TYR A 67 -1.250 6.635 -2.449 1.00 0.00 C ATOM 982 C TYR A 67 -2.112 6.364 -3.688 1.00 0.00 C ATOM 983 O TYR A 67 -1.662 6.545 -4.821 1.00 0.00 O ATOM 984 CB TYR A 67 -1.317 8.126 -2.059 1.00 0.00 C ATOM 985 CG TYR A 67 -0.300 9.030 -2.741 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.854 9.430 -2.073 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.496 9.497 -4.036 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.776 10.263 -2.673 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.427 10.331 -4.641 1.00 0.00 C ATOM 990 CZ TYR A 67 1.560 10.708 -3.955 1.00 0.00 C ATOM 991 OH TYR A 67 2.484 11.532 -4.551 1.00 0.00 O ATOM 0 H TYR A 67 0.564 6.430 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.665 6.045 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.316 8.498 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.183 8.207 -0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.031 9.082 -1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.383 9.204 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.664 10.564 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.260 10.685 -5.647 1.00 0.00 H new ATOM 0 HH TYR A 67 2.185 11.757 -5.457 1.00 0.00 H new ATOM 1001 N THR A 68 -3.347 5.910 -3.456 1.00 0.00 N ATOM 1002 CA THR A 68 -4.315 5.684 -4.532 1.00 0.00 C ATOM 1003 C THR A 68 -5.711 6.146 -4.089 1.00 0.00 C ATOM 1004 O THR A 68 -6.106 5.950 -2.932 1.00 0.00 O ATOM 1005 CB THR A 68 -4.360 4.190 -4.976 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.907 4.095 -6.294 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.203 3.326 -4.052 1.00 0.00 C ATOM 0 H THR A 68 -3.701 5.690 -2.525 1.00 0.00 H new ATOM 0 HA THR A 68 -3.992 6.270 -5.392 1.00 0.00 H new ATOM 0 HB THR A 68 -3.334 3.825 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.729 4.925 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.197 2.297 -4.411 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.790 3.361 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.227 3.700 -4.038 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.407 6.826 -4.997 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.797 7.261 -4.800 1.00 0.00 C ATOM 1017 C GLU A 69 -8.714 6.060 -4.547 1.00 0.00 C ATOM 1018 O GLU A 69 -8.639 5.072 -5.282 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.250 7.981 -6.081 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.359 9.008 -5.889 1.00 0.00 C ATOM 1021 CD GLU A 69 -8.897 10.238 -5.138 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -7.970 10.916 -5.620 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.482 10.545 -4.082 1.00 0.00 O ATOM 0 H GLU A 69 -6.022 7.096 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.854 7.921 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.387 8.479 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.589 7.234 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.744 9.307 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.185 8.547 -5.348 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.587 6.121 -3.532 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.424 4.964 -3.226 1.00 0.00 C ATOM 1032 C PHE A 70 -11.860 5.315 -2.901 1.00 0.00 C ATOM 1033 O PHE A 70 -12.171 6.431 -2.565 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.810 4.167 -2.067 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.964 4.731 -0.660 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.847 4.874 0.148 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.199 5.087 -0.134 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -8.960 5.359 1.441 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.313 5.578 1.154 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.196 5.712 1.941 1.00 0.00 C ATOM 0 H PHE A 70 -9.727 6.932 -2.930 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.453 4.361 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.247 3.169 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.745 4.051 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.874 4.603 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.086 4.979 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.079 5.461 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.282 5.856 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.285 6.092 2.948 1.00 0.00 H new ATOM 1050 N THR A 71 -12.738 4.342 -3.018 1.00 0.00 N ATOM 1051 CA THR A 71 -14.067 4.458 -2.447 1.00 0.00 C ATOM 1052 C THR A 71 -14.504 3.117 -1.841 1.00 0.00 C ATOM 1053 O THR A 71 -14.760 2.168 -2.579 1.00 0.00 O ATOM 1054 CB THR A 71 -15.066 4.917 -3.527 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.527 6.043 -4.233 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.388 5.306 -2.902 1.00 0.00 C ATOM 0 H THR A 71 -12.558 3.462 -3.502 1.00 0.00 H new ATOM 0 HA THR A 71 -14.048 5.203 -1.652 1.00 0.00 H new ATOM 0 HB THR A 71 -15.233 4.090 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.163 6.333 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.079 5.627 -3.682 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.808 4.449 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.231 6.123 -2.198 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.566 2.985 -0.487 1.00 0.00 N ATOM 1065 CA PRO A 72 -14.890 1.707 0.130 1.00 0.00 C ATOM 1066 C PRO A 72 -16.340 1.330 -0.033 1.00 0.00 C ATOM 1067 O PRO A 72 -17.243 2.169 0.003 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.549 1.865 1.616 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.317 3.326 1.854 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.329 4.042 0.523 1.00 0.00 C ATOM 0 HA PRO A 72 -14.324 0.908 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.362 1.496 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.662 1.286 1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.090 3.730 2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.362 3.480 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.112 4.799 0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.383 4.553 0.343 1.00 0.00 H new ATOM 1078 N THR A 73 -16.525 0.048 -0.207 1.00 0.00 N ATOM 1079 CA THR A 73 -17.824 -0.561 -0.329 1.00 0.00 C ATOM 1080 C THR A 73 -17.844 -1.756 0.607 1.00 0.00 C ATOM 1081 O THR A 73 -16.782 -2.252 0.993 1.00 0.00 O ATOM 1082 CB THR A 73 -18.084 -1.021 -1.783 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.060 -1.935 -2.193 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.121 0.167 -2.738 1.00 0.00 C ATOM 0 H THR A 73 -15.756 -0.619 -0.269 1.00 0.00 H new ATOM 0 HA THR A 73 -18.604 0.155 -0.071 1.00 0.00 H new ATOM 0 HB THR A 73 -19.054 -1.517 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.230 -2.225 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.305 -0.187 -3.752 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.919 0.848 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.166 0.691 -2.705 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.022 -2.201 1.009 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.130 -3.382 1.855 1.00 0.00 C ATOM 1094 C GLU A 74 -18.648 -4.653 1.112 1.00 0.00 C ATOM 1095 O GLU A 74 -18.545 -5.729 1.704 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.599 -3.505 2.364 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.058 -4.911 2.735 1.00 0.00 C ATOM 1098 CD GLU A 74 -22.548 -5.081 2.571 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.281 -4.955 3.572 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.993 -5.348 1.439 1.00 0.00 O ATOM 0 H GLU A 74 -19.913 -1.767 0.767 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.474 -3.278 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.716 -2.863 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.264 -3.118 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.539 -5.638 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.781 -5.122 3.768 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.303 -4.520 -0.170 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.959 -5.679 -0.986 1.00 0.00 C ATOM 1109 C LYS A 75 -16.481 -5.739 -1.412 1.00 0.00 C ATOM 1110 O LYS A 75 -15.965 -6.836 -1.626 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.859 -5.726 -2.232 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.362 -5.931 -1.975 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.726 -7.406 -1.793 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.626 -7.880 -0.347 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.811 -7.484 0.455 1.00 0.00 N ATOM 0 H LYS A 75 -18.255 -3.627 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.126 -6.550 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.729 -4.795 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.509 -6.531 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.655 -5.375 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.930 -5.519 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.742 -7.569 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.068 -8.014 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.522 -8.965 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.726 -7.466 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.732 -7.884 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.858 -6.447 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.674 -7.843 -0.000 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.788 -4.607 -1.549 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.432 -4.643 -2.095 1.00 0.00 C ATOM 1131 C ASP A 76 -13.369 -4.530 -0.992 1.00 0.00 C ATOM 1132 O ASP A 76 -13.455 -3.672 -0.116 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.229 -3.546 -3.147 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.909 -3.686 -3.863 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.048 -2.803 -3.702 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -12.751 -4.671 -4.621 1.00 0.00 O ATOM 0 H ASP A 76 -16.131 -3.680 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.309 -5.612 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.041 -3.585 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.279 -2.569 -2.666 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.382 -5.416 -1.071 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.291 -5.547 -0.098 1.00 0.00 C ATOM 1143 C GLU A 77 -10.044 -4.846 -0.646 1.00 0.00 C ATOM 1144 O GLU A 77 -9.750 -4.958 -1.839 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.077 -7.064 0.113 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.853 -7.524 0.889 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.630 -7.731 0.011 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.436 -8.877 -0.458 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.858 -6.785 -0.211 1.00 0.00 O ATOM 0 H GLU A 77 -12.312 -6.086 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.517 -5.077 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.958 -7.455 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.042 -7.533 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.620 -6.787 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.086 -8.457 1.402 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.321 -4.123 0.207 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.155 -3.356 -0.241 1.00 0.00 C ATOM 1158 C TYR A 78 -6.866 -3.919 0.358 1.00 0.00 C ATOM 1159 O TYR A 78 -6.754 -4.089 1.574 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.300 -1.871 0.122 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.357 -1.134 -0.669 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -9.002 -0.240 -1.670 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.708 -1.320 -0.405 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.962 0.445 -2.386 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.674 -0.641 -1.121 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.295 0.243 -2.107 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.255 0.927 -2.817 1.00 0.00 O ATOM 0 H TYR A 78 -9.518 -4.051 1.205 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.101 -3.444 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.536 -1.790 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.340 -1.377 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.957 -0.078 -1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -11.008 -2.007 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.669 1.137 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.721 -0.802 -0.909 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.077 0.983 -2.286 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.888 -4.187 -0.502 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.654 -4.844 -0.090 1.00 0.00 C ATOM 1179 C ALA A 79 -3.413 -4.128 -0.621 1.00 0.00 C ATOM 1180 O ALA A 79 -3.505 -3.303 -1.526 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.673 -6.277 -0.576 1.00 0.00 C ATOM 0 H ALA A 79 -5.928 -3.957 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.600 -4.812 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.753 -6.776 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.528 -6.797 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.752 -6.292 -1.663 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.256 -4.422 -0.033 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.990 -3.925 -0.560 1.00 0.00 C ATOM 1189 C CYS A 80 0.015 -5.070 -0.719 1.00 0.00 C ATOM 1190 O CYS A 80 0.241 -5.845 0.213 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.428 -2.831 0.343 1.00 0.00 C ATOM 1192 SG CYS A 80 1.232 -2.250 -0.124 1.00 0.00 S ATOM 0 H CYS A 80 -2.170 -4.999 0.804 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.171 -3.495 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.112 -1.983 0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.395 -3.203 1.367 1.00 0.00 H new ATOM 1197 N ARG A 81 0.574 -5.192 -1.919 1.00 0.00 N ATOM 1198 CA ARG A 81 1.491 -6.285 -2.263 1.00 0.00 C ATOM 1199 C ARG A 81 2.937 -5.791 -2.300 1.00 0.00 C ATOM 1200 O ARG A 81 3.230 -4.816 -2.990 1.00 0.00 O ATOM 1201 CB ARG A 81 1.118 -6.815 -3.644 1.00 0.00 C ATOM 1202 CG ARG A 81 1.603 -8.231 -3.956 1.00 0.00 C ATOM 1203 CD ARG A 81 0.939 -8.759 -5.236 1.00 0.00 C ATOM 1204 NE ARG A 81 1.271 -7.903 -6.374 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.818 -8.075 -7.613 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.014 -9.091 -7.897 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.185 -7.228 -8.568 1.00 0.00 N ATOM 0 H ARG A 81 0.407 -4.538 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 81 1.408 -7.067 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.033 -6.791 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.522 -6.137 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.687 -8.232 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.373 -8.893 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.271 -9.779 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.142 -8.795 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 81 1.897 -7.115 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.260 -9.745 -7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.330 -9.218 -8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.810 -6.452 -8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.842 -7.353 -9.520 1.00 0.00 H new ATOM 1221 N VAL A 82 3.839 -6.463 -1.587 1.00 0.00 N ATOM 1222 CA VAL A 82 5.248 -6.061 -1.602 1.00 0.00 C ATOM 1223 C VAL A 82 6.185 -7.249 -1.828 1.00 0.00 C ATOM 1224 O VAL A 82 5.970 -8.344 -1.305 1.00 0.00 O ATOM 1225 CB VAL A 82 5.666 -5.308 -0.308 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.016 -6.272 0.818 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.830 -4.374 -0.594 1.00 0.00 C ATOM 0 H VAL A 82 3.628 -7.272 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 82 5.345 -5.375 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 82 4.812 -4.717 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.303 -5.707 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.150 -6.893 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.846 -6.907 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.112 -3.853 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.679 -4.952 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.535 -3.646 -1.350 1.00 0.00 H new ATOM 1237 N ASN A 83 7.212 -7.013 -2.639 1.00 0.00 N ATOM 1238 CA ASN A 83 8.236 -8.021 -2.909 1.00 0.00 C ATOM 1239 C ASN A 83 9.630 -7.423 -2.824 1.00 0.00 C ATOM 1240 O ASN A 83 9.851 -6.268 -3.197 1.00 0.00 O ATOM 1241 CB ASN A 83 8.028 -8.657 -4.290 1.00 0.00 C ATOM 1242 CG ASN A 83 8.867 -9.908 -4.482 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.198 -10.604 -3.519 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.204 -10.210 -5.725 1.00 0.00 N ATOM 0 H ASN A 83 7.359 -6.128 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 83 8.142 -8.794 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.975 -8.906 -4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.280 -7.931 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.758 -11.045 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.910 -9.608 -6.494 1.00 0.00 H new ATOM 1251 N HIS A 84 10.554 -8.222 -2.310 1.00 0.00 N ATOM 1252 CA HIS A 84 11.955 -7.845 -2.226 1.00 0.00 C ATOM 1253 C HIS A 84 12.814 -9.019 -2.689 1.00 0.00 C ATOM 1254 O HIS A 84 12.317 -10.145 -2.776 1.00 0.00 O ATOM 1255 CB HIS A 84 12.322 -7.440 -0.786 1.00 0.00 C ATOM 1256 CG HIS A 84 13.685 -6.828 -0.639 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.799 -7.602 -0.429 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.054 -5.526 -0.676 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.815 -6.761 -0.347 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.413 -5.492 -0.492 1.00 0.00 N ATOM 0 H HIS A 84 10.352 -9.151 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 84 12.138 -6.985 -2.870 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.578 -6.732 -0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.263 -8.322 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.403 -4.677 -0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.840 -7.059 -0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.003 -4.660 -0.470 1.00 0.00 H new ATOM 1268 N VAL A 85 14.082 -8.760 -2.990 1.00 0.00 N ATOM 1269 CA VAL A 85 15.010 -9.813 -3.422 1.00 0.00 C ATOM 1270 C VAL A 85 14.989 -11.009 -2.464 1.00 0.00 C ATOM 1271 O VAL A 85 15.137 -12.159 -2.888 1.00 0.00 O ATOM 1272 CB VAL A 85 16.463 -9.289 -3.535 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.394 -10.361 -4.096 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.520 -8.034 -4.392 1.00 0.00 C ATOM 0 H VAL A 85 14.497 -7.829 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 85 14.670 -10.133 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 85 16.803 -9.037 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.407 -9.964 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.388 -11.229 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.053 -10.656 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.550 -7.684 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.149 -8.259 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.901 -7.258 -3.942 1.00 0.00 H new ATOM 1284 N THR A 86 14.771 -10.740 -1.183 1.00 0.00 N ATOM 1285 CA THR A 86 14.819 -11.796 -0.172 1.00 0.00 C ATOM 1286 C THR A 86 13.585 -12.712 -0.241 1.00 0.00 C ATOM 1287 O THR A 86 13.728 -13.920 -0.423 1.00 0.00 O ATOM 1288 CB THR A 86 14.993 -11.224 1.263 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.860 -12.263 2.240 1.00 0.00 O ATOM 1290 CG2 THR A 86 13.986 -10.117 1.553 1.00 0.00 C ATOM 0 H THR A 86 14.561 -9.811 -0.819 1.00 0.00 H new ATOM 0 HA THR A 86 15.699 -12.398 -0.400 1.00 0.00 H new ATOM 0 HB THR A 86 15.995 -10.799 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.974 -11.885 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.139 -9.742 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.124 -9.304 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.974 -10.512 1.461 1.00 0.00 H new ATOM 1298 N LEU A 87 12.383 -12.138 -0.103 1.00 0.00 N ATOM 1299 CA LEU A 87 11.143 -12.931 -0.076 1.00 0.00 C ATOM 1300 C LEU A 87 11.053 -13.907 -1.238 1.00 0.00 C ATOM 1301 O LEU A 87 10.792 -15.089 -1.033 1.00 0.00 O ATOM 1302 CB LEU A 87 9.904 -12.037 -0.114 1.00 0.00 C ATOM 1303 CG LEU A 87 9.810 -10.987 0.990 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.717 -9.988 0.665 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.551 -11.648 2.335 1.00 0.00 C ATOM 0 H LEU A 87 12.241 -11.132 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 87 11.175 -13.489 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.876 -11.528 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.019 -12.672 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 87 10.760 -10.456 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.657 -9.243 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.944 -9.495 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.762 -10.507 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.487 -10.884 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.613 -12.202 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.367 -12.333 2.567 1.00 0.00 H new ATOM 1317 N SER A 88 11.263 -13.387 -2.449 1.00 0.00 N ATOM 1318 CA SER A 88 11.098 -14.147 -3.692 1.00 0.00 C ATOM 1319 C SER A 88 9.611 -14.285 -4.048 1.00 0.00 C ATOM 1320 O SER A 88 9.249 -14.346 -5.222 1.00 0.00 O ATOM 1321 CB SER A 88 11.773 -15.523 -3.600 1.00 0.00 C ATOM 1322 OG SER A 88 13.148 -15.399 -3.260 1.00 0.00 O ATOM 0 H SER A 88 11.554 -12.421 -2.597 1.00 0.00 H new ATOM 0 HA SER A 88 11.591 -13.594 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.264 -16.131 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.677 -16.043 -4.553 1.00 0.00 H new ATOM 0 HG SER A 88 13.230 -15.001 -2.368 1.00 0.00 H new ATOM 1328 N GLN A 89 8.756 -14.321 -3.031 1.00 0.00 N ATOM 1329 CA GLN A 89 7.312 -14.326 -3.244 1.00 0.00 C ATOM 1330 C GLN A 89 6.673 -13.166 -2.463 1.00 0.00 C ATOM 1331 O GLN A 89 6.808 -13.098 -1.240 1.00 0.00 O ATOM 1332 CB GLN A 89 6.677 -15.683 -2.843 1.00 0.00 C ATOM 1333 CG GLN A 89 6.783 -16.053 -1.364 1.00 0.00 C ATOM 1334 CD GLN A 89 8.136 -16.619 -0.973 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.580 -16.468 0.165 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.794 -17.287 -1.907 1.00 0.00 N ATOM 0 H GLN A 89 9.038 -14.347 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 89 7.120 -14.189 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.623 -15.666 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.148 -16.471 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.582 -15.167 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.010 -16.784 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.392 -17.390 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.703 -17.699 -1.695 1.00 0.00 H new ATOM 1345 N PRO A 90 6.010 -12.204 -3.146 1.00 0.00 N ATOM 1346 CA PRO A 90 5.394 -11.062 -2.456 1.00 0.00 C ATOM 1347 C PRO A 90 4.212 -11.450 -1.576 1.00 0.00 C ATOM 1348 O PRO A 90 3.563 -12.478 -1.785 1.00 0.00 O ATOM 1349 CB PRO A 90 4.915 -10.142 -3.572 1.00 0.00 C ATOM 1350 CG PRO A 90 4.810 -11.008 -4.786 1.00 0.00 C ATOM 1351 CD PRO A 90 5.838 -12.123 -4.615 1.00 0.00 C ATOM 0 HA PRO A 90 6.117 -10.601 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.953 -9.694 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.616 -9.323 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.805 -11.419 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.008 -10.433 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.482 -13.066 -5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.776 -11.886 -5.118 1.00 0.00 H new ATOM 1359 N LYS A 91 3.933 -10.598 -0.599 1.00 0.00 N ATOM 1360 CA LYS A 91 2.835 -10.821 0.335 1.00 0.00 C ATOM 1361 C LYS A 91 1.720 -9.800 0.102 1.00 0.00 C ATOM 1362 O LYS A 91 1.960 -8.706 -0.410 1.00 0.00 O ATOM 1363 CB LYS A 91 3.321 -10.696 1.797 1.00 0.00 C ATOM 1364 CG LYS A 91 4.595 -11.480 2.148 1.00 0.00 C ATOM 1365 CD LYS A 91 5.129 -11.143 3.544 1.00 0.00 C ATOM 1366 CE LYS A 91 4.342 -11.834 4.659 1.00 0.00 C ATOM 1367 NZ LYS A 91 2.939 -11.345 4.781 1.00 0.00 N ATOM 0 H LYS A 91 4.456 -9.739 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 91 2.457 -11.829 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.495 -9.642 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.519 -11.029 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.387 -12.548 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.365 -11.265 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.177 -11.437 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.091 -10.064 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.330 -12.908 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.857 -11.680 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.657 -11.345 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.874 -10.378 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.305 -11.970 4.243 1.00 0.00 H new ATOM 1381 N ILE A 92 0.510 -10.184 0.482 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.630 -9.277 0.453 1.00 0.00 C ATOM 1383 C ILE A 92 -1.079 -8.934 1.869 1.00 0.00 C ATOM 1384 O ILE A 92 -1.183 -9.807 2.734 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.824 -9.824 -0.396 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.851 -9.163 -1.778 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.162 -9.614 0.293 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.572 -7.685 -1.740 1.00 0.00 C ATOM 0 H ILE A 92 0.291 -11.123 0.816 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.294 -8.366 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.667 -10.897 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.114 -9.648 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.828 -9.329 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.961 -10.010 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.163 -10.133 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.324 -8.549 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.607 -7.282 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.323 -7.189 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.583 -7.512 -1.315 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.302 -7.649 2.103 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.849 -7.169 3.360 1.00 0.00 C ATOM 1402 C VAL A 93 -3.190 -6.506 3.094 1.00 0.00 C ATOM 1403 O VAL A 93 -3.271 -5.560 2.316 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.902 -6.161 4.049 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.554 -5.001 3.134 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.512 -5.648 5.344 1.00 0.00 C ATOM 0 H VAL A 93 -1.108 -6.911 1.426 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.969 -8.021 4.029 1.00 0.00 H new ATOM 0 HB VAL A 93 0.022 -6.690 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.113 -4.314 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.060 -5.379 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.466 -4.475 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.829 -4.940 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.458 -5.151 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.687 -6.485 6.020 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.237 -6.997 3.723 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.569 -6.500 3.437 1.00 0.00 C ATOM 1418 C LYS A 94 -6.107 -5.720 4.627 1.00 0.00 C ATOM 1419 O LYS A 94 -5.841 -6.068 5.780 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.491 -7.657 3.077 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.896 -8.572 2.030 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.416 -9.995 2.165 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.941 -10.662 3.447 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.303 -12.101 3.479 1.00 0.00 N ATOM 0 H LYS A 94 -4.195 -7.732 4.429 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.522 -5.823 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.711 -8.234 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.439 -7.261 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.133 -8.191 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.810 -8.571 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.506 -9.985 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.087 -10.583 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.860 -10.556 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.381 -10.156 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.964 -12.525 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.337 -12.200 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.862 -12.588 2.673 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.855 -4.669 4.340 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.289 -3.726 5.369 1.00 0.00 C ATOM 1440 C TRP A 95 -8.526 -4.244 6.112 1.00 0.00 C ATOM 1441 O TRP A 95 -9.490 -4.725 5.518 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.521 -2.334 4.740 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.931 -1.232 5.691 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.361 -0.900 6.898 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -8.983 -0.272 5.477 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.011 0.171 7.453 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.012 0.571 6.610 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.913 -0.047 4.442 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -9.926 1.607 6.746 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.816 0.992 4.577 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -10.824 1.803 5.723 1.00 0.00 C ATOM 0 H TRP A 95 -7.178 -4.442 3.400 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.502 -3.628 6.116 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.604 -2.028 4.236 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.290 -2.428 3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.521 -1.411 7.345 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.785 0.601 8.350 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.920 -0.673 3.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -9.932 2.236 7.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.527 1.183 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.551 2.598 5.803 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.454 -4.168 7.433 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.491 -4.687 8.317 1.00 0.00 C ATOM 1464 C ASP A 96 -10.754 -3.816 8.288 1.00 0.00 C ATOM 1465 O ASP A 96 -10.847 -2.816 8.999 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.937 -4.804 9.752 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.332 -3.509 10.268 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.921 -2.888 11.180 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.251 -3.112 9.775 1.00 0.00 O ATOM 0 H ASP A 96 -7.670 -3.742 7.926 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.779 -5.676 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.740 -5.114 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.180 -5.587 9.779 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.731 -4.244 7.472 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.033 -3.574 7.332 1.00 0.00 C ATOM 1476 C ARG A 97 -13.758 -4.120 6.104 1.00 0.00 C ATOM 1477 O ARG A 97 -14.972 -3.965 5.953 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.858 -2.046 7.216 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.465 -1.544 5.827 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.690 -1.316 4.914 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.794 -0.660 5.622 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.994 -0.438 5.082 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.264 -0.859 3.850 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -16.932 0.192 5.778 1.00 0.00 N ATOM 0 H ARG A 97 -11.638 -5.073 6.885 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.628 -3.776 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.791 -1.565 7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.098 -1.727 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.910 -0.611 5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.796 -2.266 5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.396 -0.707 4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.031 -2.274 4.520 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.636 -0.356 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.552 -1.354 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.183 -0.687 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.737 0.508 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.848 0.360 5.363 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.002 -4.782 5.246 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.503 -5.214 3.951 1.00 0.00 C ATOM 1500 C ASP A 98 -13.074 -6.640 3.637 1.00 0.00 C ATOM 1501 O ASP A 98 -13.700 -7.321 2.823 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.004 -4.287 2.853 1.00 0.00 C ATOM 1503 CG ASP A 98 -11.547 -3.899 3.004 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -11.276 -2.716 3.288 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -10.675 -4.775 2.841 1.00 0.00 O ATOM 0 H ASP A 98 -12.030 -5.034 5.424 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.592 -5.179 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.144 -4.773 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.613 -3.383 2.847 1.00 0.00 H new ATOM 1510 N MET A 99 -12.003 -7.074 4.277 1.00 0.00 N ATOM 1511 CA MET A 99 -11.526 -8.449 4.141 1.00 0.00 C ATOM 1512 C MET A 99 -12.590 -9.445 4.606 1.00 0.00 C ATOM 1513 CB MET A 99 -10.190 -8.678 4.888 1.00 0.00 C ATOM 1514 CG MET A 99 -10.118 -8.135 6.332 1.00 0.00 C ATOM 1515 SD MET A 99 -11.414 -8.746 7.424 1.00 0.00 S ATOM 1516 CE MET A 99 -11.006 -7.886 8.941 1.00 0.00 C ATOM 0 H MET A 99 -11.441 -6.495 4.901 1.00 0.00 H new ATOM 0 HA MET A 99 -11.335 -8.620 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.990 -9.749 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.389 -8.219 4.308 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.149 -8.396 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.170 -7.047 6.301 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.358 -8.466 9.794 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.925 -7.761 9.009 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.486 -6.907 8.945 1.00 0.00 H new TER 1525 MET A 99