USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 950 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 150:sc= 0.00744 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0628 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.0164 USER MOD Single : A 3 SER OG : rot 17:sc= 0.94 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-4.5!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.41) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.00019) USER MOD Single : A 59 THR OG1 : rot -50:sc= -0.116 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= -0.0594 (180deg=-0.247) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 101:sc= 0.847 USER MOD Single : A 94 TYR OH : rot 26:sc= 1.22 USER MOD Single : A 97 SER OG : rot 164:sc= -2.3! USER MOD Single : A 99 GLN : amide:sc=-0.00915 X(o=-0.0091,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0666 K(o=-0.067,f=-0.98) USER MOD Single : A 103 MET CE :methyl 166:sc= -0.448 (180deg=-0.646) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= -0.0125 (180deg=-0.167) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 74.972 -17.502 10.326 1.00 0.00 N ATOM 2 CA GLY A 1 73.729 -17.111 10.965 1.00 0.00 C ATOM 3 C GLY A 1 72.682 -18.206 10.917 1.00 0.00 C ATOM 4 O GLY A 1 72.764 -19.116 10.092 1.00 0.00 O ATOM 0 H1 GLY A 1 75.718 -17.593 11.045 1.00 0.00 H new ATOM 0 H2 GLY A 1 74.842 -18.414 9.844 1.00 0.00 H new ATOM 0 H3 GLY A 1 75.247 -16.779 9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 1 73.926 -16.846 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.339 -16.218 10.477 1.00 0.00 H new ATOM 8 N SER A 2 71.696 -18.119 11.803 1.00 0.00 N ATOM 9 CA SER A 2 70.631 -19.114 11.862 1.00 0.00 C ATOM 10 C SER A 2 69.287 -18.454 12.155 1.00 0.00 C ATOM 11 O SER A 2 69.158 -17.678 13.101 1.00 0.00 O ATOM 12 CB SER A 2 70.942 -20.162 12.933 1.00 0.00 C ATOM 13 OG SER A 2 71.857 -21.130 12.448 1.00 0.00 O ATOM 0 H SER A 2 71.612 -17.370 12.490 1.00 0.00 H new ATOM 0 HA SER A 2 70.571 -19.605 10.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 71.357 -19.674 13.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 70.020 -20.653 13.245 1.00 0.00 H new ATOM 0 HG SER A 2 72.300 -20.787 11.644 1.00 0.00 H new ATOM 19 N SER A 3 68.289 -18.770 11.336 1.00 0.00 N ATOM 20 CA SER A 3 66.955 -18.205 11.504 1.00 0.00 C ATOM 21 C SER A 3 65.909 -19.068 10.804 1.00 0.00 C ATOM 22 O SER A 3 66.244 -19.991 10.063 1.00 0.00 O ATOM 23 CB SER A 3 66.909 -16.779 10.952 1.00 0.00 C ATOM 24 OG SER A 3 67.558 -15.873 11.826 1.00 0.00 O ATOM 0 H SER A 3 68.379 -19.414 10.550 1.00 0.00 H new ATOM 0 HA SER A 3 66.728 -18.181 12.570 1.00 0.00 H new ATOM 0 HB2 SER A 3 67.386 -16.749 9.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 65.872 -16.474 10.811 1.00 0.00 H new ATOM 0 HG SER A 3 68.124 -16.371 12.452 1.00 0.00 H new ATOM 30 N GLY A 4 64.638 -18.759 11.046 1.00 0.00 N ATOM 31 CA GLY A 4 63.561 -19.514 10.433 1.00 0.00 C ATOM 32 C GLY A 4 62.210 -18.855 10.623 1.00 0.00 C ATOM 33 O GLY A 4 62.065 -17.945 11.439 1.00 0.00 O ATOM 0 H GLY A 4 64.336 -17.999 11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 4 63.761 -19.626 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 4 63.536 -20.517 10.859 1.00 0.00 H new ATOM 37 N SER A 5 61.218 -19.314 9.867 1.00 0.00 N ATOM 38 CA SER A 5 59.872 -18.759 9.952 1.00 0.00 C ATOM 39 C SER A 5 58.881 -19.616 9.171 1.00 0.00 C ATOM 40 O SER A 5 59.261 -20.593 8.526 1.00 0.00 O ATOM 41 CB SER A 5 59.854 -17.325 9.418 1.00 0.00 C ATOM 42 OG SER A 5 60.368 -17.266 8.099 1.00 0.00 O ATOM 0 H SER A 5 61.321 -20.069 9.189 1.00 0.00 H new ATOM 0 HA SER A 5 59.574 -18.753 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 58.834 -16.941 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 5 60.445 -16.683 10.071 1.00 0.00 H new ATOM 0 HG SER A 5 60.344 -16.340 7.780 1.00 0.00 H new ATOM 48 N SER A 6 57.606 -19.243 9.235 1.00 0.00 N ATOM 49 CA SER A 6 56.558 -19.979 8.538 1.00 0.00 C ATOM 50 C SER A 6 55.289 -19.140 8.424 1.00 0.00 C ATOM 51 O SER A 6 55.201 -18.048 8.984 1.00 0.00 O ATOM 52 CB SER A 6 56.254 -21.289 9.268 1.00 0.00 C ATOM 53 OG SER A 6 57.160 -22.309 8.885 1.00 0.00 O ATOM 0 H SER A 6 57.275 -18.435 9.763 1.00 0.00 H new ATOM 0 HA SER A 6 56.914 -20.206 7.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 56.314 -21.131 10.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.234 -21.603 9.048 1.00 0.00 H new ATOM 0 HG SER A 6 58.036 -21.913 8.692 1.00 0.00 H new ATOM 59 N GLY A 7 54.307 -19.660 7.693 1.00 0.00 N ATOM 60 CA GLY A 7 53.055 -18.947 7.518 1.00 0.00 C ATOM 61 C GLY A 7 52.084 -19.691 6.624 1.00 0.00 C ATOM 62 O GLY A 7 52.493 -20.452 5.746 1.00 0.00 O ATOM 0 H GLY A 7 54.356 -20.562 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 7 52.595 -18.783 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 53.257 -17.964 7.092 1.00 0.00 H new ATOM 66 N THR A 8 50.791 -19.475 6.848 1.00 0.00 N ATOM 67 CA THR A 8 49.758 -20.134 6.059 1.00 0.00 C ATOM 68 C THR A 8 48.689 -19.142 5.616 1.00 0.00 C ATOM 69 O THR A 8 48.685 -17.986 6.041 1.00 0.00 O ATOM 70 CB THR A 8 49.089 -21.275 6.848 1.00 0.00 C ATOM 71 OG1 THR A 8 48.550 -20.771 8.075 1.00 0.00 O ATOM 72 CG2 THR A 8 50.086 -22.385 7.144 1.00 0.00 C ATOM 0 H THR A 8 50.435 -18.848 7.570 1.00 0.00 H new ATOM 0 HA THR A 8 50.250 -20.551 5.180 1.00 0.00 H new ATOM 0 HB THR A 8 48.283 -21.685 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 8 48.125 -21.502 8.570 1.00 0.00 H new ATOM 0 HG21 THR A 8 49.591 -23.180 7.702 1.00 0.00 H new ATOM 0 HG22 THR A 8 50.473 -22.786 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 8 50.910 -21.986 7.735 1.00 0.00 H new ATOM 80 N LEU A 9 47.781 -19.600 4.761 1.00 0.00 N ATOM 81 CA LEU A 9 46.704 -18.753 4.262 1.00 0.00 C ATOM 82 C LEU A 9 45.350 -19.434 4.433 1.00 0.00 C ATOM 83 O LEU A 9 45.076 -20.457 3.806 1.00 0.00 O ATOM 84 CB LEU A 9 46.935 -18.417 2.787 1.00 0.00 C ATOM 85 CG LEU A 9 47.648 -19.486 1.959 1.00 0.00 C ATOM 86 CD1 LEU A 9 47.459 -19.224 0.473 1.00 0.00 C ATOM 87 CD2 LEU A 9 49.128 -19.534 2.310 1.00 0.00 C ATOM 0 H LEU A 9 47.769 -20.554 4.399 1.00 0.00 H new ATOM 0 HA LEU A 9 46.702 -17.831 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 9 45.969 -18.213 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 47.515 -17.496 2.731 1.00 0.00 H new ATOM 0 HG LEU A 9 47.208 -20.455 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.973 -19.995 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 9 46.396 -19.242 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 9 47.872 -18.247 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.619 -20.301 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 9 49.583 -18.565 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.244 -19.771 3.368 1.00 0.00 H new ATOM 99 N ALA A 10 44.507 -18.859 5.284 1.00 0.00 N ATOM 100 CA ALA A 10 43.181 -19.409 5.535 1.00 0.00 C ATOM 101 C ALA A 10 42.335 -18.446 6.361 1.00 0.00 C ATOM 102 O ALA A 10 42.549 -18.292 7.563 1.00 0.00 O ATOM 103 CB ALA A 10 43.291 -20.754 6.237 1.00 0.00 C ATOM 0 H ALA A 10 44.719 -18.012 5.811 1.00 0.00 H new ATOM 0 HA ALA A 10 42.687 -19.553 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 10 42.293 -21.153 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 10 43.850 -21.447 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 10 43.809 -20.627 7.188 1.00 0.00 H new ATOM 109 N GLN A 11 41.374 -17.800 5.708 1.00 0.00 N ATOM 110 CA GLN A 11 40.497 -16.850 6.383 1.00 0.00 C ATOM 111 C GLN A 11 39.076 -16.940 5.838 1.00 0.00 C ATOM 112 O GLN A 11 38.854 -17.165 4.648 1.00 0.00 O ATOM 113 CB GLN A 11 41.030 -15.426 6.220 1.00 0.00 C ATOM 114 CG GLN A 11 42.221 -15.116 7.112 1.00 0.00 C ATOM 115 CD GLN A 11 42.741 -13.705 6.922 1.00 0.00 C ATOM 116 OE1 GLN A 11 42.263 -12.764 7.555 1.00 0.00 O ATOM 117 NE2 GLN A 11 43.728 -13.551 6.046 1.00 0.00 N ATOM 0 H GLN A 11 41.183 -17.917 4.713 1.00 0.00 H new ATOM 0 HA GLN A 11 40.477 -17.103 7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 11 41.316 -15.271 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 11 40.229 -14.720 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 11 41.936 -15.257 8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 11 43.022 -15.825 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 11 44.094 -14.359 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 11 44.119 -12.625 5.876 1.00 0.00 H new ATOM 126 N PRO A 12 38.088 -16.760 6.727 1.00 0.00 N ATOM 127 CA PRO A 12 36.670 -16.815 6.358 1.00 0.00 C ATOM 128 C PRO A 12 36.248 -15.627 5.500 1.00 0.00 C ATOM 129 O PRO A 12 36.991 -14.657 5.357 1.00 0.00 O ATOM 130 CB PRO A 12 35.950 -16.783 7.708 1.00 0.00 C ATOM 131 CG PRO A 12 36.903 -16.102 8.629 1.00 0.00 C ATOM 132 CD PRO A 12 38.279 -16.487 8.162 1.00 0.00 C ATOM 0 HA PRO A 12 36.439 -17.695 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.007 -16.240 7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.714 -17.789 8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.769 -15.021 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.739 -16.415 9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.998 -15.685 8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.653 -17.363 8.692 1.00 0.00 H new ATOM 140 N VAL A 13 35.048 -15.710 4.933 1.00 0.00 N ATOM 141 CA VAL A 13 34.526 -14.640 4.091 1.00 0.00 C ATOM 142 C VAL A 13 33.954 -13.506 4.934 1.00 0.00 C ATOM 143 O VAL A 13 32.983 -13.692 5.668 1.00 0.00 O ATOM 144 CB VAL A 13 33.432 -15.159 3.138 1.00 0.00 C ATOM 145 CG1 VAL A 13 32.845 -14.015 2.326 1.00 0.00 C ATOM 146 CG2 VAL A 13 33.990 -16.241 2.226 1.00 0.00 C ATOM 0 H VAL A 13 34.420 -16.506 5.041 1.00 0.00 H new ATOM 0 HA VAL A 13 35.363 -14.264 3.502 1.00 0.00 H new ATOM 0 HB VAL A 13 32.632 -15.597 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 13 32.074 -14.401 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 13 32.407 -13.278 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 13 33.633 -13.545 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 13 33.204 -16.596 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 13 34.809 -15.832 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 13 34.357 -17.071 2.829 1.00 0.00 H new ATOM 156 N THR A 14 34.562 -12.329 4.824 1.00 0.00 N ATOM 157 CA THR A 14 34.114 -11.164 5.577 1.00 0.00 C ATOM 158 C THR A 14 33.176 -10.299 4.744 1.00 0.00 C ATOM 159 O THR A 14 33.448 -10.020 3.575 1.00 0.00 O ATOM 160 CB THR A 14 35.305 -10.307 6.046 1.00 0.00 C ATOM 161 OG1 THR A 14 36.225 -11.112 6.791 1.00 0.00 O ATOM 162 CG2 THR A 14 34.830 -9.144 6.904 1.00 0.00 C ATOM 0 H THR A 14 35.366 -12.157 4.221 1.00 0.00 H new ATOM 0 HA THR A 14 33.579 -11.538 6.450 1.00 0.00 H new ATOM 0 HB THR A 14 35.806 -9.907 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.980 -10.560 7.084 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.688 -8.553 7.223 1.00 0.00 H new ATOM 0 HG22 THR A 14 34.153 -8.517 6.324 1.00 0.00 H new ATOM 0 HG23 THR A 14 34.308 -9.528 7.780 1.00 0.00 H new ATOM 170 N ILE A 15 32.073 -9.876 5.351 1.00 0.00 N ATOM 171 CA ILE A 15 31.096 -9.040 4.665 1.00 0.00 C ATOM 172 C ILE A 15 30.896 -7.716 5.394 1.00 0.00 C ATOM 173 O ILE A 15 30.975 -7.654 6.621 1.00 0.00 O ATOM 174 CB ILE A 15 29.736 -9.753 4.536 1.00 0.00 C ATOM 175 CG1 ILE A 15 29.932 -11.184 4.032 1.00 0.00 C ATOM 176 CG2 ILE A 15 28.818 -8.978 3.603 1.00 0.00 C ATOM 177 CD1 ILE A 15 28.670 -12.017 4.072 1.00 0.00 C ATOM 0 H ILE A 15 31.833 -10.099 6.317 1.00 0.00 H new ATOM 0 HA ILE A 15 31.492 -8.847 3.668 1.00 0.00 H new ATOM 0 HB ILE A 15 29.270 -9.795 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 15 30.304 -11.152 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 15 30.698 -11.671 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 15 27.861 -9.494 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 15 28.657 -7.976 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 15 29.277 -8.908 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 15 28.884 -13.019 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 15 28.308 -12.080 5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 15 27.908 -11.553 3.446 1.00 0.00 H new ATOM 189 N ARG A 16 30.634 -6.660 4.631 1.00 0.00 N ATOM 190 CA ARG A 16 30.422 -5.337 5.205 1.00 0.00 C ATOM 191 C ARG A 16 29.121 -5.292 6.001 1.00 0.00 C ATOM 192 O ARG A 16 28.165 -6.001 5.687 1.00 0.00 O ATOM 193 CB ARG A 16 30.394 -4.278 4.101 1.00 0.00 C ATOM 194 CG ARG A 16 29.124 -4.302 3.265 1.00 0.00 C ATOM 195 CD ARG A 16 29.393 -3.872 1.832 1.00 0.00 C ATOM 196 NE ARG A 16 29.658 -2.439 1.731 1.00 0.00 N ATOM 197 CZ ARG A 16 30.070 -1.845 0.617 1.00 0.00 C ATOM 198 NH1 ARG A 16 30.263 -2.555 -0.486 1.00 0.00 N ATOM 199 NH2 ARG A 16 30.290 -0.536 0.604 1.00 0.00 N ATOM 0 H ARG A 16 30.563 -6.695 3.614 1.00 0.00 H new ATOM 0 HA ARG A 16 31.249 -5.125 5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.503 -3.292 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 16 31.253 -4.425 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 16 28.702 -5.307 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 16 28.381 -3.641 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 16 30.246 -4.427 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 16 28.535 -4.127 1.210 1.00 0.00 H new ATOM 0 HE ARG A 16 29.519 -1.863 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 16 30.095 -3.561 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 16 30.579 -2.095 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 16 30.143 0.014 1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.606 -0.081 -0.252 1.00 0.00 H new ATOM 213 N GLU A 17 29.093 -4.453 7.032 1.00 0.00 N ATOM 214 CA GLU A 17 27.909 -4.317 7.873 1.00 0.00 C ATOM 215 C GLU A 17 26.964 -3.257 7.316 1.00 0.00 C ATOM 216 O GLU A 17 27.384 -2.357 6.588 1.00 0.00 O ATOM 217 CB GLU A 17 28.312 -3.955 9.304 1.00 0.00 C ATOM 218 CG GLU A 17 28.686 -5.158 10.154 1.00 0.00 C ATOM 219 CD GLU A 17 27.539 -6.138 10.314 1.00 0.00 C ATOM 220 OE1 GLU A 17 27.271 -6.897 9.360 1.00 0.00 O ATOM 221 OE2 GLU A 17 26.911 -6.145 11.393 1.00 0.00 O ATOM 0 H GLU A 17 29.875 -3.858 7.305 1.00 0.00 H new ATOM 0 HA GLU A 17 27.389 -5.275 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.157 -3.267 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.488 -3.425 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.535 -5.669 9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.008 -4.817 11.138 1.00 0.00 H new ATOM 228 N ILE A 18 25.686 -3.371 7.662 1.00 0.00 N ATOM 229 CA ILE A 18 24.682 -2.423 7.197 1.00 0.00 C ATOM 230 C ILE A 18 24.922 -1.036 7.784 1.00 0.00 C ATOM 231 O ILE A 18 24.962 -0.864 9.002 1.00 0.00 O ATOM 232 CB ILE A 18 23.259 -2.884 7.565 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.020 -4.313 7.075 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.226 -1.935 6.976 1.00 0.00 C ATOM 235 CD1 ILE A 18 21.808 -4.970 7.697 1.00 0.00 C ATOM 0 H ILE A 18 25.322 -4.111 8.263 1.00 0.00 H new ATOM 0 HA ILE A 18 24.771 -2.376 6.112 1.00 0.00 H new ATOM 0 HB ILE A 18 23.157 -2.871 8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.901 -4.302 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 18 23.902 -4.915 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.226 -2.274 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.387 -0.932 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.324 -1.918 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.700 -5.981 7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.933 -5.013 8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 18 20.917 -4.390 7.457 1.00 0.00 H new ATOM 247 N ALA A 19 25.080 -0.048 6.908 1.00 0.00 N ATOM 248 CA ALA A 19 25.313 1.325 7.339 1.00 0.00 C ATOM 249 C ALA A 19 24.201 1.805 8.265 1.00 0.00 C ATOM 250 O ALA A 19 24.465 2.321 9.350 1.00 0.00 O ATOM 251 CB ALA A 19 25.431 2.244 6.132 1.00 0.00 C ATOM 0 H ALA A 19 25.051 -0.173 5.896 1.00 0.00 H new ATOM 0 HA ALA A 19 26.250 1.352 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.605 3.266 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.265 1.921 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.508 2.205 5.553 1.00 0.00 H new ATOM 257 N GLU A 20 22.957 1.632 7.828 1.00 0.00 N ATOM 258 CA GLU A 20 21.805 2.051 8.619 1.00 0.00 C ATOM 259 C GLU A 20 20.667 1.042 8.497 1.00 0.00 C ATOM 260 O GLU A 20 20.342 0.562 7.411 1.00 0.00 O ATOM 261 CB GLU A 20 21.327 3.433 8.172 1.00 0.00 C ATOM 262 CG GLU A 20 20.231 4.012 9.051 1.00 0.00 C ATOM 263 CD GLU A 20 20.776 4.698 10.288 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.754 5.464 10.159 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.227 4.469 11.386 1.00 0.00 O ATOM 0 H GLU A 20 22.721 1.205 6.932 1.00 0.00 H new ATOM 0 HA GLU A 20 22.112 2.102 9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.176 4.117 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.963 3.368 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.646 4.727 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.552 3.214 9.352 1.00 0.00 H new ATOM 272 N PRO A 21 20.044 0.712 9.639 1.00 0.00 N ATOM 273 CA PRO A 21 18.932 -0.242 9.687 1.00 0.00 C ATOM 274 C PRO A 21 17.666 0.311 9.042 1.00 0.00 C ATOM 275 O PRO A 21 17.398 1.512 9.073 1.00 0.00 O ATOM 276 CB PRO A 21 18.717 -0.460 11.187 1.00 0.00 C ATOM 277 CG PRO A 21 19.233 0.782 11.828 1.00 0.00 C ATOM 278 CD PRO A 21 20.378 1.246 10.970 1.00 0.00 C ATOM 0 HA PRO A 21 19.155 -1.156 9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.663 -0.616 11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.254 -1.340 11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.455 1.543 11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.564 0.586 12.848 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.457 2.333 10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.332 0.861 11.330 1.00 0.00 H new ATOM 286 N PRO A 22 16.867 -0.585 8.442 1.00 0.00 N ATOM 287 CA PRO A 22 15.615 -0.209 7.779 1.00 0.00 C ATOM 288 C PRO A 22 14.543 0.230 8.770 1.00 0.00 C ATOM 289 O PRO A 22 14.492 -0.255 9.901 1.00 0.00 O ATOM 290 CB PRO A 22 15.191 -1.497 7.067 1.00 0.00 C ATOM 291 CG PRO A 22 15.826 -2.591 7.854 1.00 0.00 C ATOM 292 CD PRO A 22 17.125 -2.033 8.366 1.00 0.00 C ATOM 0 HA PRO A 22 15.747 0.641 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.106 -1.601 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.530 -1.507 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.184 -2.903 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.997 -3.470 7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.384 -2.447 9.341 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.953 -2.259 7.694 1.00 0.00 H new ATOM 300 N LYS A 23 13.686 1.149 8.339 1.00 0.00 N ATOM 301 CA LYS A 23 12.613 1.653 9.188 1.00 0.00 C ATOM 302 C LYS A 23 11.507 2.285 8.349 1.00 0.00 C ATOM 303 O LYS A 23 11.716 3.310 7.700 1.00 0.00 O ATOM 304 CB LYS A 23 13.161 2.678 10.184 1.00 0.00 C ATOM 305 CG LYS A 23 12.155 3.094 11.243 1.00 0.00 C ATOM 306 CD LYS A 23 12.202 2.171 12.450 1.00 0.00 C ATOM 307 CE LYS A 23 11.791 2.897 13.722 1.00 0.00 C ATOM 308 NZ LYS A 23 11.456 1.946 14.819 1.00 0.00 N ATOM 0 H LYS A 23 13.714 1.560 7.406 1.00 0.00 H new ATOM 0 HA LYS A 23 12.192 0.811 9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.041 2.261 10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.489 3.563 9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.359 4.117 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.152 3.086 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.541 1.320 12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.210 1.773 12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.600 3.552 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.929 3.532 13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.181 2.479 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.667 1.337 14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.286 1.357 15.033 1.00 0.00 H new ATOM 322 N ILE A 24 10.330 1.668 8.368 1.00 0.00 N ATOM 323 CA ILE A 24 9.191 2.172 7.611 1.00 0.00 C ATOM 324 C ILE A 24 8.391 3.180 8.428 1.00 0.00 C ATOM 325 O ILE A 24 7.545 2.804 9.240 1.00 0.00 O ATOM 326 CB ILE A 24 8.258 1.029 7.169 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.981 0.101 6.190 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.994 1.592 6.538 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.238 -1.189 5.921 1.00 0.00 C ATOM 0 H ILE A 24 10.141 0.818 8.899 1.00 0.00 H new ATOM 0 HA ILE A 24 9.593 2.664 6.725 1.00 0.00 H new ATOM 0 HB ILE A 24 7.975 0.450 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.132 0.627 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.969 -0.134 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.345 0.772 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.472 2.216 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.258 2.192 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.808 -1.798 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.110 -1.736 6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.260 -0.964 5.495 1.00 0.00 H new ATOM 341 N ARG A 25 8.662 4.462 8.207 1.00 0.00 N ATOM 342 CA ARG A 25 7.966 5.525 8.922 1.00 0.00 C ATOM 343 C ARG A 25 6.596 5.790 8.304 1.00 0.00 C ATOM 344 O ARG A 25 6.496 6.288 7.182 1.00 0.00 O ATOM 345 CB ARG A 25 8.800 6.807 8.911 1.00 0.00 C ATOM 346 CG ARG A 25 10.222 6.613 9.410 1.00 0.00 C ATOM 347 CD ARG A 25 10.313 6.789 10.918 1.00 0.00 C ATOM 348 NE ARG A 25 10.011 8.157 11.328 1.00 0.00 N ATOM 349 CZ ARG A 25 10.033 8.567 12.592 1.00 0.00 C ATOM 350 NH1 ARG A 25 10.343 7.719 13.562 1.00 0.00 N ATOM 351 NH2 ARG A 25 9.747 9.829 12.886 1.00 0.00 N ATOM 0 H ARG A 25 9.359 4.790 7.538 1.00 0.00 H new ATOM 0 HA ARG A 25 7.823 5.202 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.831 7.201 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.306 7.557 9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.572 5.617 9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.882 7.328 8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.620 6.103 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.315 6.523 11.254 1.00 0.00 H new ATOM 0 HE ARG A 25 9.770 8.835 10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.566 6.749 13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.359 8.037 14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.510 10.485 12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.764 10.143 13.856 1.00 0.00 H new ATOM 365 N LEU A 26 5.544 5.455 9.042 1.00 0.00 N ATOM 366 CA LEU A 26 4.180 5.656 8.567 1.00 0.00 C ATOM 367 C LEU A 26 3.585 6.936 9.146 1.00 0.00 C ATOM 368 O LEU A 26 3.828 7.296 10.298 1.00 0.00 O ATOM 369 CB LEU A 26 3.306 4.458 8.942 1.00 0.00 C ATOM 370 CG LEU A 26 3.235 3.330 7.913 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.694 2.060 8.549 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.374 3.744 6.728 1.00 0.00 C ATOM 0 H LEU A 26 5.609 5.043 9.973 1.00 0.00 H new ATOM 0 HA LEU A 26 4.210 5.750 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.675 4.044 9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.294 4.817 9.129 1.00 0.00 H new ATOM 0 HG LEU A 26 4.244 3.129 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.651 1.268 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.349 1.754 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.693 2.246 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.334 2.929 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.366 3.972 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.805 4.627 6.256 1.00 0.00 H new ATOM 384 N PRO A 27 2.785 7.639 8.331 1.00 0.00 N ATOM 385 CA PRO A 27 2.136 8.887 8.742 1.00 0.00 C ATOM 386 C PRO A 27 1.042 8.658 9.779 1.00 0.00 C ATOM 387 O PRO A 27 0.954 7.585 10.375 1.00 0.00 O ATOM 388 CB PRO A 27 1.535 9.420 7.439 1.00 0.00 C ATOM 389 CG PRO A 27 1.335 8.211 6.592 1.00 0.00 C ATOM 390 CD PRO A 27 2.451 7.268 6.946 1.00 0.00 C ATOM 0 HA PRO A 27 2.837 9.574 9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.593 9.937 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.203 10.134 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.364 7.756 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.362 8.468 5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.136 6.227 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.306 7.389 6.280 1.00 0.00 H new ATOM 398 N ARG A 28 0.210 9.673 9.989 1.00 0.00 N ATOM 399 CA ARG A 28 -0.879 9.582 10.954 1.00 0.00 C ATOM 400 C ARG A 28 -2.233 9.697 10.260 1.00 0.00 C ATOM 401 O ARG A 28 -3.278 9.703 10.912 1.00 0.00 O ATOM 402 CB ARG A 28 -0.742 10.676 12.014 1.00 0.00 C ATOM 403 CG ARG A 28 0.693 11.122 12.248 1.00 0.00 C ATOM 404 CD ARG A 28 1.497 10.053 12.972 1.00 0.00 C ATOM 405 NE ARG A 28 1.257 10.069 14.412 1.00 0.00 N ATOM 406 CZ ARG A 28 1.703 11.024 15.220 1.00 0.00 C ATOM 407 NH1 ARG A 28 2.408 12.036 14.732 1.00 0.00 N ATOM 408 NH2 ARG A 28 1.444 10.970 16.521 1.00 0.00 N ATOM 0 H ARG A 28 0.269 10.568 9.504 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.821 8.607 11.438 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.337 11.538 11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.159 10.314 12.954 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.165 11.349 11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.699 12.042 12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.239 9.072 12.572 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.559 10.206 12.780 1.00 0.00 H new ATOM 0 HE ARG A 28 0.718 9.305 14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.609 12.083 13.733 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.749 12.768 15.356 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.902 10.194 16.901 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.787 11.704 17.140 1.00 0.00 H new ATOM 422 N HIS A 29 -2.206 9.790 8.934 1.00 0.00 N ATOM 423 CA HIS A 29 -3.432 9.905 8.152 1.00 0.00 C ATOM 424 C HIS A 29 -3.733 8.601 7.419 1.00 0.00 C ATOM 425 O HIS A 29 -4.883 8.320 7.077 1.00 0.00 O ATOM 426 CB HIS A 29 -3.314 11.052 7.148 1.00 0.00 C ATOM 427 CG HIS A 29 -1.937 11.214 6.582 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.554 10.680 5.370 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.850 11.858 7.068 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.290 10.986 5.136 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.160 11.701 6.151 1.00 0.00 N ATOM 0 H HIS A 29 -1.350 9.788 8.379 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.253 10.114 8.837 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.016 10.883 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.609 11.982 7.635 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.789 12.395 8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.278 10.700 4.263 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.105 12.076 6.239 1.00 0.00 H new ATOM 440 N LEU A 30 -2.694 7.809 7.180 1.00 0.00 N ATOM 441 CA LEU A 30 -2.847 6.534 6.487 1.00 0.00 C ATOM 442 C LEU A 30 -3.301 5.442 7.449 1.00 0.00 C ATOM 443 O LEU A 30 -4.032 4.528 7.067 1.00 0.00 O ATOM 444 CB LEU A 30 -1.529 6.130 5.823 1.00 0.00 C ATOM 445 CG LEU A 30 -1.057 7.018 4.672 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.275 6.526 4.129 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.103 7.059 3.567 1.00 0.00 C ATOM 0 H LEU A 30 -1.736 8.027 7.456 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.611 6.656 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.751 6.115 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.631 5.111 5.451 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.919 8.030 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.595 7.171 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.022 6.549 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.164 5.505 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.750 7.696 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.273 6.051 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.036 7.460 3.964 1.00 0.00 H new ATOM 459 N ARG A 31 -2.864 5.544 8.700 1.00 0.00 N ATOM 460 CA ARG A 31 -3.226 4.565 9.718 1.00 0.00 C ATOM 461 C ARG A 31 -4.715 4.238 9.653 1.00 0.00 C ATOM 462 O ARG A 31 -5.105 3.071 9.685 1.00 0.00 O ATOM 463 CB ARG A 31 -2.870 5.090 11.111 1.00 0.00 C ATOM 464 CG ARG A 31 -1.376 5.262 11.332 1.00 0.00 C ATOM 465 CD ARG A 31 -1.002 5.059 12.792 1.00 0.00 C ATOM 466 NE ARG A 31 -0.832 3.647 13.122 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.374 3.215 14.292 1.00 0.00 C ATOM 468 NH1 ARG A 31 -0.042 4.083 15.238 1.00 0.00 N ATOM 469 NH2 ARG A 31 -0.247 1.914 14.517 1.00 0.00 N ATOM 0 H ARG A 31 -2.259 6.295 9.033 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.662 3.653 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.365 6.049 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.263 4.403 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.831 4.549 10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.072 6.259 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.078 5.595 13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.776 5.489 13.428 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.078 2.954 12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.138 5.084 15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.309 3.749 16.136 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.501 1.244 13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.105 1.584 15.416 1.00 0.00 H new ATOM 483 N GLN A 32 -5.540 5.276 9.561 1.00 0.00 N ATOM 484 CA GLN A 32 -6.986 5.098 9.493 1.00 0.00 C ATOM 485 C GLN A 32 -7.430 4.796 8.065 1.00 0.00 C ATOM 486 O GLN A 32 -6.886 5.343 7.105 1.00 0.00 O ATOM 487 CB GLN A 32 -7.700 6.349 10.008 1.00 0.00 C ATOM 488 CG GLN A 32 -7.028 6.978 11.217 1.00 0.00 C ATOM 489 CD GLN A 32 -7.651 8.305 11.606 1.00 0.00 C ATOM 490 OE1 GLN A 32 -7.257 9.359 11.107 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.630 8.259 12.502 1.00 0.00 N ATOM 0 H GLN A 32 -5.232 6.248 9.532 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.253 4.251 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.749 7.085 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.727 6.091 10.267 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.090 6.291 12.061 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.969 7.126 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.925 7.363 12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.087 9.120 12.802 1.00 0.00 H new ATOM 500 N THR A 33 -8.422 3.921 7.932 1.00 0.00 N ATOM 501 CA THR A 33 -8.938 3.545 6.622 1.00 0.00 C ATOM 502 C THR A 33 -8.922 4.730 5.663 1.00 0.00 C ATOM 503 O THR A 33 -9.661 5.699 5.846 1.00 0.00 O ATOM 504 CB THR A 33 -10.375 2.998 6.720 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.469 2.060 7.798 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.788 2.326 5.419 1.00 0.00 C ATOM 0 H THR A 33 -8.884 3.460 8.716 1.00 0.00 H new ATOM 0 HA THR A 33 -8.284 2.762 6.238 1.00 0.00 H new ATOM 0 HB THR A 33 -11.047 3.835 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.386 1.718 7.855 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.806 1.948 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.743 3.050 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.111 1.498 5.206 1.00 0.00 H new ATOM 514 N TYR A 34 -8.078 4.648 4.642 1.00 0.00 N ATOM 515 CA TYR A 34 -7.965 5.715 3.655 1.00 0.00 C ATOM 516 C TYR A 34 -9.245 5.835 2.833 1.00 0.00 C ATOM 517 O TYR A 34 -9.640 4.897 2.140 1.00 0.00 O ATOM 518 CB TYR A 34 -6.774 5.460 2.730 1.00 0.00 C ATOM 519 CG TYR A 34 -6.149 6.724 2.185 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.834 7.785 3.025 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.873 6.858 0.830 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.264 8.943 2.531 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.301 8.011 0.327 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.999 9.050 1.182 1.00 0.00 C ATOM 525 OH TYR A 34 -4.431 10.201 0.685 1.00 0.00 O ATOM 0 H TYR A 34 -7.461 3.853 4.476 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.808 6.652 4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.017 4.896 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.099 4.837 1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.038 7.703 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.110 6.047 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.028 9.759 3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.092 8.098 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.309 10.114 -0.283 1.00 0.00 H new ATOM 535 N ILE A 35 -9.886 6.995 2.915 1.00 0.00 N ATOM 536 CA ILE A 35 -11.120 7.239 2.178 1.00 0.00 C ATOM 537 C ILE A 35 -10.867 8.117 0.957 1.00 0.00 C ATOM 538 O ILE A 35 -10.391 9.246 1.079 1.00 0.00 O ATOM 539 CB ILE A 35 -12.184 7.911 3.067 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.299 7.176 4.404 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.527 7.940 2.355 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.724 5.731 4.266 1.00 0.00 C ATOM 0 H ILE A 35 -9.572 7.781 3.484 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.490 6.267 1.853 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.877 8.938 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.337 7.216 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.017 7.699 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.268 8.418 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.434 8.502 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.843 6.921 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.784 5.274 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.700 5.683 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.994 5.193 3.661 1.00 0.00 H new ATOM 554 N ARG A 36 -11.189 7.591 -0.220 1.00 0.00 N ATOM 555 CA ARG A 36 -10.997 8.327 -1.464 1.00 0.00 C ATOM 556 C ARG A 36 -12.156 8.080 -2.426 1.00 0.00 C ATOM 557 O ARG A 36 -12.733 6.993 -2.455 1.00 0.00 O ATOM 558 CB ARG A 36 -9.678 7.920 -2.123 1.00 0.00 C ATOM 559 CG ARG A 36 -8.474 8.683 -1.597 1.00 0.00 C ATOM 560 CD ARG A 36 -8.234 9.960 -2.387 1.00 0.00 C ATOM 561 NE ARG A 36 -7.328 10.871 -1.693 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.650 11.519 -0.579 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.848 11.357 -0.036 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.771 12.332 -0.005 1.00 0.00 N ATOM 0 H ARG A 36 -11.584 6.658 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.964 9.390 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.518 6.853 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.755 8.077 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.628 8.928 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.589 8.049 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.819 9.710 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.186 10.461 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.398 11.018 -2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.526 10.733 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.092 11.856 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.848 12.459 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.019 12.829 0.850 1.00 0.00 H new ATOM 578 N LYS A 37 -12.492 9.098 -3.212 1.00 0.00 N ATOM 579 CA LYS A 37 -13.581 8.993 -4.176 1.00 0.00 C ATOM 580 C LYS A 37 -13.123 8.271 -5.439 1.00 0.00 C ATOM 581 O LYS A 37 -11.929 8.211 -5.732 1.00 0.00 O ATOM 582 CB LYS A 37 -14.109 10.385 -4.533 1.00 0.00 C ATOM 583 CG LYS A 37 -15.215 10.871 -3.614 1.00 0.00 C ATOM 584 CD LYS A 37 -16.080 11.922 -4.290 1.00 0.00 C ATOM 585 CE LYS A 37 -15.317 13.221 -4.498 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.196 14.302 -5.025 1.00 0.00 N ATOM 0 H LYS A 37 -12.026 10.005 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.383 8.413 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.284 11.096 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.480 10.372 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.835 10.027 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.778 11.287 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.428 11.545 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.965 12.112 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.877 13.539 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.494 13.052 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.639 15.171 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.596 14.009 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.967 14.482 -4.351 1.00 0.00 H new ATOM 600 N VAL A 38 -14.079 7.726 -6.184 1.00 0.00 N ATOM 601 CA VAL A 38 -13.773 7.011 -7.417 1.00 0.00 C ATOM 602 C VAL A 38 -13.268 7.964 -8.494 1.00 0.00 C ATOM 603 O VAL A 38 -13.731 9.099 -8.601 1.00 0.00 O ATOM 604 CB VAL A 38 -15.007 6.258 -7.950 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.782 5.814 -9.387 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.330 5.068 -7.060 1.00 0.00 C ATOM 0 H VAL A 38 -15.072 7.766 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.991 6.290 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.860 6.936 -7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.664 5.284 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.603 6.688 -10.014 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.917 5.152 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.204 4.548 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.480 4.386 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.538 5.416 -6.048 1.00 0.00 H new ATOM 616 N GLY A 39 -12.315 7.494 -9.293 1.00 0.00 N ATOM 617 CA GLY A 39 -11.762 8.317 -10.353 1.00 0.00 C ATOM 618 C GLY A 39 -10.690 9.265 -9.852 1.00 0.00 C ATOM 619 O GLY A 39 -9.809 9.670 -10.610 1.00 0.00 O ATOM 0 H GLY A 39 -11.916 6.558 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.341 7.674 -11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.563 8.892 -10.818 1.00 0.00 H new ATOM 623 N GLU A 40 -10.766 9.619 -8.573 1.00 0.00 N ATOM 624 CA GLU A 40 -9.795 10.527 -7.974 1.00 0.00 C ATOM 625 C GLU A 40 -8.405 9.899 -7.952 1.00 0.00 C ATOM 626 O GLU A 40 -8.261 8.693 -7.756 1.00 0.00 O ATOM 627 CB GLU A 40 -10.221 10.899 -6.553 1.00 0.00 C ATOM 628 CG GLU A 40 -11.138 12.109 -6.489 1.00 0.00 C ATOM 629 CD GLU A 40 -10.406 13.410 -6.758 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.563 13.801 -5.924 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.677 14.037 -7.804 1.00 0.00 O ATOM 0 H GLU A 40 -11.489 9.291 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.757 11.431 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.726 10.046 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.331 11.096 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.941 11.991 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.604 12.155 -5.505 1.00 0.00 H new ATOM 638 N GLN A 41 -7.385 10.727 -8.156 1.00 0.00 N ATOM 639 CA GLN A 41 -6.006 10.253 -8.160 1.00 0.00 C ATOM 640 C GLN A 41 -5.539 9.923 -6.747 1.00 0.00 C ATOM 641 O GLN A 41 -5.763 10.693 -5.812 1.00 0.00 O ATOM 642 CB GLN A 41 -5.085 11.304 -8.783 1.00 0.00 C ATOM 643 CG GLN A 41 -5.361 11.559 -10.256 1.00 0.00 C ATOM 644 CD GLN A 41 -4.914 12.937 -10.703 1.00 0.00 C ATOM 645 OE1 GLN A 41 -5.555 13.567 -11.545 1.00 0.00 O ATOM 646 NE2 GLN A 41 -3.809 13.413 -10.141 1.00 0.00 N ATOM 0 H GLN A 41 -7.488 11.728 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.963 9.343 -8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.192 12.240 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.050 10.983 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.850 10.804 -10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.428 11.448 -10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.309 12.857 -9.447 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.460 14.335 -10.403 1.00 0.00 H new ATOM 655 N LEU A 42 -4.889 8.774 -6.597 1.00 0.00 N ATOM 656 CA LEU A 42 -4.389 8.342 -5.296 1.00 0.00 C ATOM 657 C LEU A 42 -2.958 8.820 -5.076 1.00 0.00 C ATOM 658 O LEU A 42 -2.181 8.941 -6.022 1.00 0.00 O ATOM 659 CB LEU A 42 -4.453 6.818 -5.185 1.00 0.00 C ATOM 660 CG LEU A 42 -5.854 6.203 -5.173 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.788 4.719 -5.497 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.523 6.428 -3.825 1.00 0.00 C ATOM 0 H LEU A 42 -4.696 8.125 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.021 8.784 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.897 6.389 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.939 6.518 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.453 6.694 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.794 4.299 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.350 4.582 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.173 4.211 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.518 5.984 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.926 5.963 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.605 7.498 -3.633 1.00 0.00 H new ATOM 674 N ASN A 43 -2.615 9.087 -3.820 1.00 0.00 N ATOM 675 CA ASN A 43 -1.276 9.550 -3.475 1.00 0.00 C ATOM 676 C ASN A 43 -0.873 9.063 -2.087 1.00 0.00 C ATOM 677 O ASN A 43 -1.442 9.484 -1.079 1.00 0.00 O ATOM 678 CB ASN A 43 -1.212 11.078 -3.530 1.00 0.00 C ATOM 679 CG ASN A 43 0.095 11.622 -2.985 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.993 11.986 -3.744 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.206 11.679 -1.663 1.00 0.00 N ATOM 0 H ASN A 43 -3.246 8.991 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.577 9.137 -4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.338 11.407 -4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.042 11.494 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.062 12.036 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.565 11.366 -1.073 1.00 0.00 H new ATOM 688 N LEU A 44 0.113 8.173 -2.041 1.00 0.00 N ATOM 689 CA LEU A 44 0.594 7.628 -0.777 1.00 0.00 C ATOM 690 C LEU A 44 2.107 7.783 -0.657 1.00 0.00 C ATOM 691 O LEU A 44 2.867 7.140 -1.382 1.00 0.00 O ATOM 692 CB LEU A 44 0.210 6.153 -0.656 1.00 0.00 C ATOM 693 CG LEU A 44 -1.256 5.816 -0.929 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.444 4.312 -1.055 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.146 6.376 0.171 1.00 0.00 C ATOM 0 H LEU A 44 0.595 7.814 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 44 0.125 8.187 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.828 5.580 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.458 5.815 0.350 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.545 6.278 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.494 4.092 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.836 3.937 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.137 3.828 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.186 6.127 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.856 5.944 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.034 7.459 0.213 1.00 0.00 H new ATOM 707 N VAL A 45 2.538 8.640 0.264 1.00 0.00 N ATOM 708 CA VAL A 45 3.960 8.877 0.481 1.00 0.00 C ATOM 709 C VAL A 45 4.427 8.255 1.792 1.00 0.00 C ATOM 710 O VAL A 45 4.288 8.853 2.859 1.00 0.00 O ATOM 711 CB VAL A 45 4.282 10.383 0.497 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.757 10.611 0.789 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.886 11.026 -0.824 1.00 0.00 C ATOM 0 H VAL A 45 1.923 9.181 0.871 1.00 0.00 H new ATOM 0 HA VAL A 45 4.489 8.409 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 45 3.702 10.852 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.965 11.681 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.005 10.186 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.359 10.129 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.120 12.090 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.437 10.555 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.816 10.894 -0.986 1.00 0.00 H new ATOM 723 N VAL A 46 4.982 7.050 1.705 1.00 0.00 N ATOM 724 CA VAL A 46 5.471 6.347 2.884 1.00 0.00 C ATOM 725 C VAL A 46 6.987 6.458 3.001 1.00 0.00 C ATOM 726 O VAL A 46 7.740 5.763 2.319 1.00 0.00 O ATOM 727 CB VAL A 46 5.078 4.858 2.853 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.242 4.233 4.230 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.652 4.694 2.351 1.00 0.00 C ATOM 0 H VAL A 46 5.104 6.541 0.830 1.00 0.00 H new ATOM 0 HA VAL A 46 5.007 6.820 3.749 1.00 0.00 H new ATOM 0 HB VAL A 46 5.744 4.339 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.960 3.181 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.282 4.317 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.602 4.752 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.391 3.636 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.970 5.226 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.572 5.102 1.343 1.00 0.00 H new ATOM 739 N PRO A 47 7.448 7.354 3.887 1.00 0.00 N ATOM 740 CA PRO A 47 8.879 7.578 4.115 1.00 0.00 C ATOM 741 C PRO A 47 9.546 6.397 4.814 1.00 0.00 C ATOM 742 O PRO A 47 8.875 5.561 5.419 1.00 0.00 O ATOM 743 CB PRO A 47 8.905 8.815 5.015 1.00 0.00 C ATOM 744 CG PRO A 47 7.588 8.806 5.711 1.00 0.00 C ATOM 745 CD PRO A 47 6.608 8.217 4.734 1.00 0.00 C ATOM 0 HA PRO A 47 9.426 7.702 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.729 8.769 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.038 9.726 4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.633 8.213 6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.292 9.814 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.829 7.647 5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.109 8.990 4.150 1.00 0.00 H new ATOM 753 N PHE A 48 10.870 6.335 4.726 1.00 0.00 N ATOM 754 CA PHE A 48 11.628 5.257 5.349 1.00 0.00 C ATOM 755 C PHE A 48 13.072 5.682 5.602 1.00 0.00 C ATOM 756 O PHE A 48 13.520 6.716 5.108 1.00 0.00 O ATOM 757 CB PHE A 48 11.600 4.008 4.465 1.00 0.00 C ATOM 758 CG PHE A 48 12.029 4.266 3.049 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.373 4.353 2.724 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.089 4.421 2.043 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.771 4.592 1.422 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.481 4.659 0.739 1.00 0.00 C ATOM 763 CZ PHE A 48 12.824 4.744 0.428 1.00 0.00 C ATOM 0 H PHE A 48 11.441 7.019 4.229 1.00 0.00 H new ATOM 0 HA PHE A 48 11.162 5.027 6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.250 3.250 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.590 3.598 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.118 4.233 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.037 4.355 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.822 4.660 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.738 4.778 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.133 4.929 -0.590 1.00 0.00 H new ATOM 773 N GLN A 49 13.792 4.876 6.376 1.00 0.00 N ATOM 774 CA GLN A 49 15.184 5.170 6.696 1.00 0.00 C ATOM 775 C GLN A 49 16.059 3.935 6.503 1.00 0.00 C ATOM 776 O GLN A 49 15.590 2.805 6.624 1.00 0.00 O ATOM 777 CB GLN A 49 15.304 5.674 8.135 1.00 0.00 C ATOM 778 CG GLN A 49 14.320 6.782 8.474 1.00 0.00 C ATOM 779 CD GLN A 49 14.664 7.492 9.769 1.00 0.00 C ATOM 780 OE1 GLN A 49 15.109 8.640 9.762 1.00 0.00 O ATOM 781 NE2 GLN A 49 14.461 6.810 10.890 1.00 0.00 N ATOM 0 H GLN A 49 13.435 4.016 6.792 1.00 0.00 H new ATOM 0 HA GLN A 49 15.530 5.949 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.148 4.839 8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.318 6.037 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.301 7.507 7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.317 6.362 8.550 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.090 5.861 10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.676 7.236 11.792 1.00 0.00 H new ATOM 790 N GLY A 50 17.334 4.161 6.201 1.00 0.00 N ATOM 791 CA GLY A 50 18.254 3.057 5.996 1.00 0.00 C ATOM 792 C GLY A 50 19.387 3.414 5.054 1.00 0.00 C ATOM 793 O GLY A 50 19.356 4.457 4.401 1.00 0.00 O ATOM 0 H GLY A 50 17.746 5.088 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.667 2.749 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.708 2.203 5.596 1.00 0.00 H new ATOM 797 N LYS A 51 20.392 2.548 4.985 1.00 0.00 N ATOM 798 CA LYS A 51 21.541 2.776 4.117 1.00 0.00 C ATOM 799 C LYS A 51 22.317 1.483 3.890 1.00 0.00 C ATOM 800 O LYS A 51 22.191 0.515 4.641 1.00 0.00 O ATOM 801 CB LYS A 51 22.463 3.836 4.726 1.00 0.00 C ATOM 802 CG LYS A 51 22.138 5.252 4.283 1.00 0.00 C ATOM 803 CD LYS A 51 23.354 6.158 4.376 1.00 0.00 C ATOM 804 CE LYS A 51 23.481 6.781 5.757 1.00 0.00 C ATOM 805 NZ LYS A 51 24.335 8.000 5.740 1.00 0.00 N ATOM 0 H LYS A 51 20.434 1.681 5.520 1.00 0.00 H new ATOM 0 HA LYS A 51 21.173 3.132 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.399 3.780 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.494 3.607 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.771 5.238 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.336 5.653 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.254 5.585 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.280 6.945 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.490 7.037 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.904 6.051 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.396 8.394 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 25.288 7.751 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.918 8.707 5.101 1.00 0.00 H new ATOM 819 N PRO A 52 23.139 1.463 2.830 1.00 0.00 N ATOM 820 CA PRO A 52 23.296 2.609 1.929 1.00 0.00 C ATOM 821 C PRO A 52 22.052 2.855 1.083 1.00 0.00 C ATOM 822 O PRO A 52 21.586 3.988 0.963 1.00 0.00 O ATOM 823 CB PRO A 52 24.475 2.202 1.041 1.00 0.00 C ATOM 824 CG PRO A 52 24.471 0.713 1.065 1.00 0.00 C ATOM 825 CD PRO A 52 23.978 0.321 2.430 1.00 0.00 C ATOM 0 HA PRO A 52 23.457 3.539 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.356 2.582 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.415 2.602 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.822 0.312 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.470 0.317 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.406 -0.607 2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.803 0.165 3.126 1.00 0.00 H new ATOM 833 N ARG A 53 21.520 1.788 0.497 1.00 0.00 N ATOM 834 CA ARG A 53 20.330 1.889 -0.339 1.00 0.00 C ATOM 835 C ARG A 53 19.322 0.799 0.014 1.00 0.00 C ATOM 836 O ARG A 53 19.384 -0.324 -0.488 1.00 0.00 O ATOM 837 CB ARG A 53 20.709 1.788 -1.818 1.00 0.00 C ATOM 838 CG ARG A 53 19.643 2.326 -2.758 1.00 0.00 C ATOM 839 CD ARG A 53 20.073 2.210 -4.212 1.00 0.00 C ATOM 840 NE ARG A 53 19.465 3.242 -5.047 1.00 0.00 N ATOM 841 CZ ARG A 53 19.859 4.511 -5.051 1.00 0.00 C ATOM 842 NH1 ARG A 53 20.856 4.901 -4.268 1.00 0.00 N ATOM 843 NH2 ARG A 53 19.256 5.392 -5.838 1.00 0.00 N ATOM 0 H ARG A 53 21.894 0.843 0.586 1.00 0.00 H new ATOM 0 HA ARG A 53 19.869 2.859 -0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.637 2.334 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.905 0.744 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.713 1.778 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.439 3.370 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.159 2.285 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.798 1.227 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 53 18.696 2.974 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.322 4.226 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.157 5.876 -4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.489 5.096 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.560 6.366 -5.840 1.00 0.00 H new ATOM 857 N PRO A 54 18.372 1.135 0.899 1.00 0.00 N ATOM 858 CA PRO A 54 17.334 0.198 1.339 1.00 0.00 C ATOM 859 C PRO A 54 16.331 -0.117 0.234 1.00 0.00 C ATOM 860 O PRO A 54 15.691 0.783 -0.309 1.00 0.00 O ATOM 861 CB PRO A 54 16.648 0.943 2.487 1.00 0.00 C ATOM 862 CG PRO A 54 16.891 2.385 2.202 1.00 0.00 C ATOM 863 CD PRO A 54 18.238 2.455 1.538 1.00 0.00 C ATOM 0 HA PRO A 54 17.751 -0.767 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.581 0.721 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.065 0.654 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.115 2.791 1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.878 2.972 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.284 3.262 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.034 2.634 2.261 1.00 0.00 H new ATOM 871 N GLN A 55 16.200 -1.398 -0.092 1.00 0.00 N ATOM 872 CA GLN A 55 15.275 -1.830 -1.133 1.00 0.00 C ATOM 873 C GLN A 55 13.829 -1.617 -0.698 1.00 0.00 C ATOM 874 O GLN A 55 13.486 -1.807 0.468 1.00 0.00 O ATOM 875 CB GLN A 55 15.506 -3.304 -1.471 1.00 0.00 C ATOM 876 CG GLN A 55 14.876 -3.733 -2.786 1.00 0.00 C ATOM 877 CD GLN A 55 15.710 -3.337 -3.989 1.00 0.00 C ATOM 878 OE1 GLN A 55 16.487 -4.137 -4.511 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.552 -2.097 -4.436 1.00 0.00 N ATOM 0 H GLN A 55 16.722 -2.155 0.349 1.00 0.00 H new ATOM 0 HA GLN A 55 15.461 -1.227 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.578 -3.495 -1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.103 -3.920 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.739 -4.814 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.885 -3.287 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.897 -1.467 -3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.086 -1.774 -5.243 1.00 0.00 H new ATOM 888 N VAL A 56 12.984 -1.220 -1.645 1.00 0.00 N ATOM 889 CA VAL A 56 11.574 -0.981 -1.360 1.00 0.00 C ATOM 890 C VAL A 56 10.684 -1.917 -2.171 1.00 0.00 C ATOM 891 O VAL A 56 10.677 -1.873 -3.401 1.00 0.00 O ATOM 892 CB VAL A 56 11.179 0.476 -1.663 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.701 0.699 -1.380 1.00 0.00 C ATOM 894 CG2 VAL A 56 12.036 1.439 -0.855 1.00 0.00 C ATOM 0 H VAL A 56 13.252 -1.057 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 56 11.428 -1.175 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 56 11.355 0.669 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.441 1.734 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.106 0.034 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.496 0.488 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.743 2.464 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.894 1.248 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.085 1.296 -1.112 1.00 0.00 H new ATOM 904 N VAL A 57 9.932 -2.762 -1.473 1.00 0.00 N ATOM 905 CA VAL A 57 9.036 -3.708 -2.127 1.00 0.00 C ATOM 906 C VAL A 57 7.576 -3.342 -1.881 1.00 0.00 C ATOM 907 O VAL A 57 7.195 -2.985 -0.767 1.00 0.00 O ATOM 908 CB VAL A 57 9.282 -5.147 -1.636 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.317 -6.112 -2.307 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.725 -5.557 -1.893 1.00 0.00 C ATOM 0 H VAL A 57 9.926 -2.811 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 57 9.246 -3.656 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 57 9.104 -5.182 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.506 -7.124 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.292 -5.827 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.460 -6.078 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.882 -6.576 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.933 -5.507 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.395 -4.882 -1.361 1.00 0.00 H new ATOM 920 N TRP A 58 6.765 -3.433 -2.929 1.00 0.00 N ATOM 921 CA TRP A 58 5.346 -3.112 -2.827 1.00 0.00 C ATOM 922 C TRP A 58 4.487 -4.323 -3.174 1.00 0.00 C ATOM 923 O TRP A 58 4.645 -4.924 -4.237 1.00 0.00 O ATOM 924 CB TRP A 58 4.999 -1.943 -3.750 1.00 0.00 C ATOM 925 CG TRP A 58 5.250 -0.601 -3.130 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.286 0.246 -3.400 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.450 0.045 -2.134 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.179 1.380 -2.632 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.060 1.282 -1.848 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.276 -0.299 -1.458 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.536 2.172 -0.914 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.757 0.586 -0.532 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.386 1.810 -0.267 1.00 0.00 C ATOM 0 H TRP A 58 7.066 -3.726 -3.859 1.00 0.00 H new ATOM 0 HA TRP A 58 5.137 -2.826 -1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.584 -2.027 -4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.949 -2.013 -4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.074 0.053 -4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.828 2.167 -2.644 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.783 -1.239 -1.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.020 3.115 -0.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.851 0.330 -0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.955 2.480 0.462 1.00 0.00 H new ATOM 944 N THR A 59 3.577 -4.676 -2.272 1.00 0.00 N ATOM 945 CA THR A 59 2.694 -5.816 -2.484 1.00 0.00 C ATOM 946 C THR A 59 1.234 -5.424 -2.287 1.00 0.00 C ATOM 947 O THR A 59 0.877 -4.797 -1.290 1.00 0.00 O ATOM 948 CB THR A 59 3.035 -6.976 -1.530 1.00 0.00 C ATOM 949 OG1 THR A 59 3.168 -6.487 -0.191 1.00 0.00 O ATOM 950 CG2 THR A 59 4.324 -7.664 -1.955 1.00 0.00 C ATOM 0 H THR A 59 3.432 -4.189 -1.388 1.00 0.00 H new ATOM 0 HA THR A 59 2.844 -6.145 -3.512 1.00 0.00 H new ATOM 0 HB THR A 59 2.223 -7.702 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.765 -5.710 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.545 -8.480 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.209 -8.061 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.143 -6.945 -1.940 1.00 0.00 H new ATOM 958 N LYS A 60 0.391 -5.799 -3.244 1.00 0.00 N ATOM 959 CA LYS A 60 -1.032 -5.489 -3.175 1.00 0.00 C ATOM 960 C LYS A 60 -1.836 -6.715 -2.756 1.00 0.00 C ATOM 961 O LYS A 60 -2.415 -7.406 -3.593 1.00 0.00 O ATOM 962 CB LYS A 60 -1.529 -4.978 -4.529 1.00 0.00 C ATOM 963 CG LYS A 60 -3.037 -4.802 -4.596 1.00 0.00 C ATOM 964 CD LYS A 60 -3.456 -3.413 -4.145 1.00 0.00 C ATOM 965 CE LYS A 60 -4.966 -3.241 -4.199 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.502 -3.470 -5.570 1.00 0.00 N ATOM 0 H LYS A 60 0.669 -6.318 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.173 -4.710 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.050 -4.023 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.218 -5.675 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.379 -4.973 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.520 -5.551 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.105 -3.238 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.981 -2.665 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.436 -3.937 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.229 -2.236 -3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.490 -3.149 -5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.934 -2.937 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.457 -4.484 -5.796 1.00 0.00 H new ATOM 980 N GLY A 61 -1.869 -6.979 -1.453 1.00 0.00 N ATOM 981 CA GLY A 61 -2.607 -8.122 -0.946 1.00 0.00 C ATOM 982 C GLY A 61 -1.800 -9.404 -1.001 1.00 0.00 C ATOM 983 O GLY A 61 -2.348 -10.481 -1.228 1.00 0.00 O ATOM 0 H GLY A 61 -1.398 -6.422 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.907 -7.929 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.521 -8.247 -1.526 1.00 0.00 H new ATOM 987 N GLY A 62 -0.491 -9.287 -0.795 1.00 0.00 N ATOM 988 CA GLY A 62 0.371 -10.454 -0.829 1.00 0.00 C ATOM 989 C GLY A 62 0.762 -10.846 -2.240 1.00 0.00 C ATOM 990 O GLY A 62 0.769 -12.027 -2.584 1.00 0.00 O ATOM 0 H GLY A 62 -0.013 -8.406 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.271 -10.254 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.137 -11.291 -0.350 1.00 0.00 H new ATOM 994 N ALA A 63 1.085 -9.851 -3.061 1.00 0.00 N ATOM 995 CA ALA A 63 1.479 -10.099 -4.442 1.00 0.00 C ATOM 996 C ALA A 63 1.977 -8.820 -5.108 1.00 0.00 C ATOM 997 O ALA A 63 1.610 -7.709 -4.726 1.00 0.00 O ATOM 998 CB ALA A 63 0.313 -10.684 -5.226 1.00 0.00 C ATOM 0 H ALA A 63 1.081 -8.867 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 63 2.298 -10.819 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.621 -10.864 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.003 -11.624 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.521 -9.983 -5.214 1.00 0.00 H new ATOM 1004 N PRO A 64 2.835 -8.979 -6.127 1.00 0.00 N ATOM 1005 CA PRO A 64 3.402 -7.848 -6.868 1.00 0.00 C ATOM 1006 C PRO A 64 2.362 -7.136 -7.725 1.00 0.00 C ATOM 1007 O PRO A 64 1.413 -7.754 -8.210 1.00 0.00 O ATOM 1008 CB PRO A 64 4.467 -8.502 -7.752 1.00 0.00 C ATOM 1009 CG PRO A 64 4.009 -9.909 -7.919 1.00 0.00 C ATOM 1010 CD PRO A 64 3.315 -10.275 -6.636 1.00 0.00 C ATOM 0 HA PRO A 64 3.794 -7.080 -6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.549 -7.996 -8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.451 -8.459 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.332 -10.001 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.852 -10.573 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.492 -10.969 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.996 -10.756 -5.934 1.00 0.00 H new ATOM 1018 N LEU A 65 2.545 -5.833 -7.908 1.00 0.00 N ATOM 1019 CA LEU A 65 1.622 -5.036 -8.708 1.00 0.00 C ATOM 1020 C LEU A 65 2.036 -5.034 -10.177 1.00 0.00 C ATOM 1021 O LEU A 65 3.115 -5.510 -10.528 1.00 0.00 O ATOM 1022 CB LEU A 65 1.566 -3.601 -8.181 1.00 0.00 C ATOM 1023 CG LEU A 65 1.242 -3.445 -6.694 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.516 -3.473 -5.864 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.472 -2.155 -6.449 1.00 0.00 C ATOM 0 H LEU A 65 3.324 -5.306 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 65 0.632 -5.485 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.528 -3.126 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.819 -3.053 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 65 0.615 -4.283 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.266 -3.361 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.029 -4.423 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.168 -2.656 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.250 -2.060 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.074 -1.305 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.460 -2.175 -7.014 1.00 0.00 H new ATOM 1037 N ASP A 66 1.171 -4.493 -11.029 1.00 0.00 N ATOM 1038 CA ASP A 66 1.448 -4.426 -12.459 1.00 0.00 C ATOM 1039 C ASP A 66 1.950 -3.039 -12.850 1.00 0.00 C ATOM 1040 O ASP A 66 1.184 -2.201 -13.326 1.00 0.00 O ATOM 1041 CB ASP A 66 0.192 -4.772 -13.260 1.00 0.00 C ATOM 1042 CG ASP A 66 -0.089 -6.262 -13.281 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -0.553 -6.792 -12.250 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.157 -6.898 -14.327 1.00 0.00 O ATOM 0 H ASP A 66 0.273 -4.095 -10.754 1.00 0.00 H new ATOM 0 HA ASP A 66 2.227 -5.153 -12.688 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.664 -4.250 -12.832 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.306 -4.412 -14.283 1.00 0.00 H new ATOM 1049 N THR A 67 3.243 -2.804 -12.646 1.00 0.00 N ATOM 1050 CA THR A 67 3.847 -1.519 -12.976 1.00 0.00 C ATOM 1051 C THR A 67 3.278 -0.961 -14.275 1.00 0.00 C ATOM 1052 O THR A 67 3.260 0.251 -14.486 1.00 0.00 O ATOM 1053 CB THR A 67 5.377 -1.635 -13.106 1.00 0.00 C ATOM 1054 OG1 THR A 67 5.712 -2.468 -14.221 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.987 -2.209 -11.836 1.00 0.00 C ATOM 0 H THR A 67 3.891 -3.487 -12.254 1.00 0.00 H new ATOM 0 HA THR A 67 3.610 -0.839 -12.158 1.00 0.00 H new ATOM 0 HB THR A 67 5.782 -0.636 -13.265 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.687 -2.535 -14.298 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.068 -2.281 -11.952 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.755 -1.557 -10.994 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.575 -3.201 -11.651 1.00 0.00 H new ATOM 1063 N SER A 68 2.815 -1.854 -15.144 1.00 0.00 N ATOM 1064 CA SER A 68 2.248 -1.450 -16.426 1.00 0.00 C ATOM 1065 C SER A 68 1.178 -0.380 -16.234 1.00 0.00 C ATOM 1066 O SER A 68 1.169 0.636 -16.928 1.00 0.00 O ATOM 1067 CB SER A 68 1.651 -2.660 -17.147 1.00 0.00 C ATOM 1068 OG SER A 68 1.431 -2.379 -18.519 1.00 0.00 O ATOM 0 H SER A 68 2.821 -2.861 -14.984 1.00 0.00 H new ATOM 0 HA SER A 68 3.050 -1.032 -17.034 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.323 -3.513 -17.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.710 -2.941 -16.675 1.00 0.00 H new ATOM 0 HG SER A 68 1.051 -3.169 -18.958 1.00 0.00 H new ATOM 1074 N ARG A 69 0.277 -0.617 -15.286 1.00 0.00 N ATOM 1075 CA ARG A 69 -0.799 0.326 -15.002 1.00 0.00 C ATOM 1076 C ARG A 69 -0.524 1.093 -13.712 1.00 0.00 C ATOM 1077 O ARG A 69 -1.030 2.197 -13.514 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.136 -0.411 -14.895 1.00 0.00 C ATOM 1079 CG ARG A 69 -2.357 -1.434 -15.997 1.00 0.00 C ATOM 1080 CD ARG A 69 -2.538 -0.764 -17.350 1.00 0.00 C ATOM 1081 NE ARG A 69 -3.400 -1.543 -18.235 1.00 0.00 N ATOM 1082 CZ ARG A 69 -3.837 -1.103 -19.410 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -3.493 0.104 -19.839 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -4.618 -1.870 -20.159 1.00 0.00 N ATOM 0 H ARG A 69 0.270 -1.453 -14.702 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.850 1.040 -15.824 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.188 -0.913 -13.929 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.946 0.318 -14.920 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.507 -2.116 -16.038 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.237 -2.035 -15.766 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.966 0.229 -17.209 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.564 -0.628 -17.820 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.682 -2.476 -17.935 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.892 0.697 -19.266 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.830 0.440 -20.741 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.884 -2.799 -19.833 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.953 -1.531 -21.061 1.00 0.00 H new ATOM 1098 N VAL A 70 0.281 0.499 -12.837 1.00 0.00 N ATOM 1099 CA VAL A 70 0.624 1.125 -11.566 1.00 0.00 C ATOM 1100 C VAL A 70 1.874 1.988 -11.698 1.00 0.00 C ATOM 1101 O VAL A 70 2.862 1.579 -12.309 1.00 0.00 O ATOM 1102 CB VAL A 70 0.855 0.073 -10.465 1.00 0.00 C ATOM 1103 CG1 VAL A 70 1.213 0.746 -9.149 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -0.375 -0.808 -10.305 1.00 0.00 C ATOM 0 H VAL A 70 0.708 -0.415 -12.985 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.221 1.754 -11.286 1.00 0.00 H new ATOM 0 HB VAL A 70 1.692 -0.560 -10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.372 -0.013 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.124 1.331 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.399 1.404 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.195 -1.546 -9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.231 -0.191 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.581 -1.319 -11.245 1.00 0.00 H new ATOM 1114 N HIS A 71 1.825 3.185 -11.121 1.00 0.00 N ATOM 1115 CA HIS A 71 2.954 4.106 -11.174 1.00 0.00 C ATOM 1116 C HIS A 71 3.476 4.407 -9.772 1.00 0.00 C ATOM 1117 O HIS A 71 2.799 5.051 -8.971 1.00 0.00 O ATOM 1118 CB HIS A 71 2.548 5.406 -11.869 1.00 0.00 C ATOM 1119 CG HIS A 71 3.698 6.141 -12.485 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.277 5.767 -13.679 1.00 0.00 N ATOM 1121 CD2 HIS A 71 4.376 7.235 -12.066 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.262 6.598 -13.968 1.00 0.00 C ATOM 1123 NE2 HIS A 71 5.343 7.499 -13.005 1.00 0.00 N ATOM 0 H HIS A 71 1.015 3.539 -10.612 1.00 0.00 H new ATOM 0 HA HIS A 71 3.751 3.631 -11.746 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.815 5.180 -12.644 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.057 6.057 -11.146 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.191 7.796 -11.162 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.894 6.549 -14.843 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.014 8.266 -12.965 1.00 0.00 H new ATOM 1132 N VAL A 72 4.684 3.934 -9.481 1.00 0.00 N ATOM 1133 CA VAL A 72 5.297 4.153 -8.176 1.00 0.00 C ATOM 1134 C VAL A 72 6.653 4.836 -8.313 1.00 0.00 C ATOM 1135 O VAL A 72 7.552 4.325 -8.980 1.00 0.00 O ATOM 1136 CB VAL A 72 5.477 2.827 -7.412 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.457 3.003 -6.262 1.00 0.00 C ATOM 1138 CG2 VAL A 72 4.136 2.318 -6.907 1.00 0.00 C ATOM 0 H VAL A 72 5.257 3.397 -10.131 1.00 0.00 H new ATOM 0 HA VAL A 72 4.623 4.800 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 72 5.887 2.085 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.572 2.057 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.424 3.320 -6.653 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.079 3.759 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.281 1.381 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.696 3.056 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.468 2.152 -7.752 1.00 0.00 H new ATOM 1148 N ARG A 73 6.792 5.994 -7.677 1.00 0.00 N ATOM 1149 CA ARG A 73 8.039 6.749 -7.728 1.00 0.00 C ATOM 1150 C ARG A 73 8.874 6.505 -6.475 1.00 0.00 C ATOM 1151 O ARG A 73 8.671 7.149 -5.445 1.00 0.00 O ATOM 1152 CB ARG A 73 7.749 8.244 -7.878 1.00 0.00 C ATOM 1153 CG ARG A 73 7.389 8.655 -9.297 1.00 0.00 C ATOM 1154 CD ARG A 73 8.605 8.632 -10.209 1.00 0.00 C ATOM 1155 NE ARG A 73 8.281 9.069 -11.564 1.00 0.00 N ATOM 1156 CZ ARG A 73 8.136 10.343 -11.911 1.00 0.00 C ATOM 1157 NH1 ARG A 73 8.287 11.301 -11.007 1.00 0.00 N ATOM 1158 NH2 ARG A 73 7.841 10.661 -13.165 1.00 0.00 N ATOM 0 H ARG A 73 6.057 6.430 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 73 8.606 6.407 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.930 8.515 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.623 8.809 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.626 7.983 -9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.958 9.656 -9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.380 9.277 -9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.014 7.622 -10.242 1.00 0.00 H new ATOM 0 HE ARG A 73 8.159 8.357 -12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.515 11.061 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.175 12.278 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.725 9.927 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.730 11.640 -13.430 1.00 0.00 H new ATOM 1172 N THR A 74 9.814 5.570 -6.569 1.00 0.00 N ATOM 1173 CA THR A 74 10.678 5.239 -5.443 1.00 0.00 C ATOM 1174 C THR A 74 11.968 6.050 -5.484 1.00 0.00 C ATOM 1175 O THR A 74 12.705 6.014 -6.469 1.00 0.00 O ATOM 1176 CB THR A 74 11.029 3.739 -5.425 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.858 2.960 -5.692 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.618 3.337 -4.081 1.00 0.00 C ATOM 0 H THR A 74 9.996 5.028 -7.414 1.00 0.00 H new ATOM 0 HA THR A 74 10.125 5.486 -4.537 1.00 0.00 H new ATOM 0 HB THR A 74 11.773 3.552 -6.199 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.089 2.008 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.858 2.274 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.525 3.912 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.893 3.537 -3.292 1.00 0.00 H new ATOM 1186 N SER A 75 12.236 6.782 -4.407 1.00 0.00 N ATOM 1187 CA SER A 75 13.437 7.605 -4.321 1.00 0.00 C ATOM 1188 C SER A 75 14.297 7.189 -3.132 1.00 0.00 C ATOM 1189 O SER A 75 13.780 6.816 -2.079 1.00 0.00 O ATOM 1190 CB SER A 75 13.060 9.083 -4.200 1.00 0.00 C ATOM 1191 OG SER A 75 14.078 9.914 -4.731 1.00 0.00 O ATOM 0 H SER A 75 11.638 6.822 -3.582 1.00 0.00 H new ATOM 0 HA SER A 75 14.015 7.458 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.124 9.267 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.891 9.334 -3.153 1.00 0.00 H new ATOM 0 HG SER A 75 13.812 10.853 -4.643 1.00 0.00 H new ATOM 1197 N ASP A 76 15.612 7.257 -3.308 1.00 0.00 N ATOM 1198 CA ASP A 76 16.545 6.888 -2.251 1.00 0.00 C ATOM 1199 C ASP A 76 16.057 7.392 -0.896 1.00 0.00 C ATOM 1200 O ASP A 76 16.231 6.726 0.125 1.00 0.00 O ATOM 1201 CB ASP A 76 17.935 7.453 -2.548 1.00 0.00 C ATOM 1202 CG ASP A 76 17.879 8.848 -3.138 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.516 9.789 -2.402 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.198 9.000 -4.336 1.00 0.00 O ATOM 0 H ASP A 76 16.056 7.565 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 76 16.604 5.800 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.520 7.474 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.453 6.789 -3.240 1.00 0.00 H new ATOM 1209 N PHE A 77 15.447 8.573 -0.894 1.00 0.00 N ATOM 1210 CA PHE A 77 14.936 9.167 0.336 1.00 0.00 C ATOM 1211 C PHE A 77 13.665 8.458 0.795 1.00 0.00 C ATOM 1212 O PHE A 77 13.650 7.800 1.836 1.00 0.00 O ATOM 1213 CB PHE A 77 14.656 10.657 0.129 1.00 0.00 C ATOM 1214 CG PHE A 77 15.781 11.390 -0.544 1.00 0.00 C ATOM 1215 CD1 PHE A 77 17.041 11.431 0.031 1.00 0.00 C ATOM 1216 CD2 PHE A 77 15.578 12.040 -1.750 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.079 12.104 -0.586 1.00 0.00 C ATOM 1218 CE2 PHE A 77 16.612 12.715 -2.372 1.00 0.00 C ATOM 1219 CZ PHE A 77 17.863 12.748 -1.788 1.00 0.00 C ATOM 0 H PHE A 77 15.295 9.137 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 77 15.695 9.051 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.751 10.769 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.459 11.119 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.214 10.931 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.601 12.019 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 77 19.057 12.126 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 77 16.442 13.216 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.671 13.277 -2.271 1.00 0.00 H new ATOM 1229 N ASP A 78 12.601 8.598 0.012 1.00 0.00 N ATOM 1230 CA ASP A 78 11.325 7.972 0.337 1.00 0.00 C ATOM 1231 C ASP A 78 10.622 7.484 -0.926 1.00 0.00 C ATOM 1232 O ASP A 78 10.996 7.852 -2.040 1.00 0.00 O ATOM 1233 CB ASP A 78 10.426 8.955 1.088 1.00 0.00 C ATOM 1234 CG ASP A 78 10.405 10.327 0.445 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.570 10.406 -0.791 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.221 11.322 1.176 1.00 0.00 O ATOM 0 H ASP A 78 12.597 9.140 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 78 11.523 7.112 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.411 8.559 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.771 9.045 2.118 1.00 0.00 H new ATOM 1241 N THR A 79 9.602 6.651 -0.745 1.00 0.00 N ATOM 1242 CA THR A 79 8.848 6.110 -1.869 1.00 0.00 C ATOM 1243 C THR A 79 7.439 6.691 -1.916 1.00 0.00 C ATOM 1244 O THR A 79 6.902 7.127 -0.898 1.00 0.00 O ATOM 1245 CB THR A 79 8.757 4.574 -1.798 1.00 0.00 C ATOM 1246 OG1 THR A 79 8.182 4.061 -3.005 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.919 4.137 -0.606 1.00 0.00 C ATOM 0 H THR A 79 9.279 6.336 0.170 1.00 0.00 H new ATOM 0 HA THR A 79 9.385 6.392 -2.775 1.00 0.00 H new ATOM 0 HB THR A 79 9.765 4.177 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.540 3.166 -3.183 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.869 3.049 -0.576 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.375 4.505 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.912 4.544 -0.700 1.00 0.00 H new ATOM 1255 N VAL A 80 6.844 6.692 -3.105 1.00 0.00 N ATOM 1256 CA VAL A 80 5.496 7.218 -3.284 1.00 0.00 C ATOM 1257 C VAL A 80 4.665 6.304 -4.178 1.00 0.00 C ATOM 1258 O VAL A 80 5.202 5.589 -5.024 1.00 0.00 O ATOM 1259 CB VAL A 80 5.521 8.631 -3.895 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.107 9.121 -4.168 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.260 9.594 -2.979 1.00 0.00 C ATOM 0 H VAL A 80 7.274 6.335 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 80 5.041 7.267 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 80 6.054 8.587 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.145 10.121 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.615 8.443 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.545 9.150 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.268 10.588 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.757 9.635 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.285 9.250 -2.840 1.00 0.00 H new ATOM 1271 N PHE A 81 3.350 6.334 -3.986 1.00 0.00 N ATOM 1272 CA PHE A 81 2.444 5.508 -4.775 1.00 0.00 C ATOM 1273 C PHE A 81 1.276 6.336 -5.304 1.00 0.00 C ATOM 1274 O PHE A 81 0.619 7.056 -4.552 1.00 0.00 O ATOM 1275 CB PHE A 81 1.918 4.343 -3.933 1.00 0.00 C ATOM 1276 CG PHE A 81 0.780 3.604 -4.577 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.519 4.077 -4.471 1.00 0.00 C ATOM 1278 CD2 PHE A 81 1.008 2.438 -5.288 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.568 3.398 -5.061 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.037 1.755 -5.882 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.327 2.237 -5.769 1.00 0.00 C ATOM 0 H PHE A 81 2.889 6.921 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 81 3.000 5.111 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.733 3.645 -3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.592 4.723 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.713 4.986 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.015 2.057 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.576 3.775 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.155 0.846 -6.433 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.145 1.707 -6.233 1.00 0.00 H new ATOM 1291 N PHE A 82 1.023 6.227 -6.605 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.064 6.966 -7.236 1.00 0.00 C ATOM 1293 C PHE A 82 -0.809 6.087 -8.237 1.00 0.00 C ATOM 1294 O PHE A 82 -0.274 5.093 -8.727 1.00 0.00 O ATOM 1295 CB PHE A 82 0.479 8.212 -7.940 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.361 8.658 -9.102 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.357 7.947 -10.291 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.156 9.789 -9.005 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.129 8.356 -11.362 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.931 10.202 -10.072 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.918 9.484 -11.252 1.00 0.00 C ATOM 0 H PHE A 82 1.556 5.634 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.762 7.272 -6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.548 9.026 -7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.491 8.010 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.256 7.063 -10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.170 10.354 -8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.115 7.794 -12.284 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.546 11.085 -9.983 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.524 9.804 -12.087 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.049 6.462 -8.535 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.869 5.709 -9.477 1.00 0.00 C ATOM 1313 C VAL A 83 -3.732 6.641 -10.320 1.00 0.00 C ATOM 1314 O VAL A 83 -4.221 7.661 -9.834 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.780 4.703 -8.749 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.768 4.076 -9.721 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.946 3.633 -8.059 1.00 0.00 C ATOM 0 H VAL A 83 -2.508 7.282 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.185 5.164 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.347 5.238 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.403 3.368 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.387 4.856 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.223 3.554 -10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.605 2.930 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.352 3.100 -8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.283 4.101 -7.332 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.917 6.283 -11.587 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.721 7.087 -12.499 1.00 0.00 C ATOM 1329 C ARG A 84 -6.126 7.299 -11.942 1.00 0.00 C ATOM 1330 O ARG A 84 -6.580 8.434 -11.795 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.800 6.415 -13.871 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.689 7.152 -14.860 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.616 6.529 -16.245 1.00 0.00 C ATOM 1334 NE ARG A 84 -4.507 7.064 -17.029 1.00 0.00 N ATOM 1335 CZ ARG A 84 -3.281 6.553 -17.011 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.009 5.499 -16.255 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -2.323 7.096 -17.753 1.00 0.00 N ATOM 0 H ARG A 84 -3.521 5.441 -12.005 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.241 8.060 -12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.795 6.337 -14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.173 5.398 -13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.720 7.136 -14.506 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.387 8.198 -14.914 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.505 5.449 -16.151 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.553 6.709 -16.773 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.683 7.874 -17.623 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.742 5.078 -15.685 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.067 5.109 -16.244 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.528 7.906 -18.338 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.382 6.703 -17.738 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.808 6.200 -11.636 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.161 6.267 -11.097 1.00 0.00 C ATOM 1353 C GLN A 85 -8.350 5.253 -9.974 1.00 0.00 C ATOM 1354 O GLN A 85 -7.884 4.118 -10.064 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.186 6.016 -12.204 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.925 4.748 -13.000 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.610 4.755 -14.352 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.838 4.785 -14.437 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -8.819 4.726 -15.418 1.00 0.00 N ATOM 0 H GLN A 85 -6.446 5.253 -11.752 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.314 7.266 -10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.180 5.958 -11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.189 6.868 -12.884 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.851 4.628 -13.142 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.269 3.887 -12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.806 4.702 -15.301 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.224 4.728 -16.354 1.00 0.00 H new ATOM 1368 N ALA A 86 -9.035 5.672 -8.915 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.287 4.800 -7.774 1.00 0.00 C ATOM 1370 C ALA A 86 -10.618 4.070 -7.924 1.00 0.00 C ATOM 1371 O ALA A 86 -11.657 4.557 -7.479 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.265 5.602 -6.482 1.00 0.00 C ATOM 0 H ALA A 86 -9.425 6.610 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.495 4.052 -7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.455 4.938 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.289 6.072 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.036 6.372 -6.518 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.579 2.901 -8.554 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.781 2.104 -8.761 1.00 0.00 C ATOM 1380 C ALA A 87 -12.137 1.311 -7.508 1.00 0.00 C ATOM 1381 O ALA A 87 -11.256 0.863 -6.774 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.597 1.168 -9.946 1.00 0.00 C ATOM 0 H ALA A 87 -9.727 2.485 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.605 2.785 -8.975 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.503 0.579 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.399 1.753 -10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.757 0.501 -9.755 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.433 1.141 -7.269 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.905 0.403 -6.103 1.00 0.00 C ATOM 1390 C ARG A 88 -13.175 -0.930 -5.971 1.00 0.00 C ATOM 1391 O ARG A 88 -13.153 -1.534 -4.899 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.413 0.164 -6.200 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.247 1.283 -5.600 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.677 1.250 -6.117 1.00 0.00 C ATOM 1395 NE ARG A 88 -18.372 0.026 -5.728 1.00 0.00 N ATOM 1396 CZ ARG A 88 -19.564 -0.324 -6.199 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -20.190 0.454 -7.070 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -20.131 -1.454 -5.797 1.00 0.00 N ATOM 0 H ARG A 88 -14.175 1.504 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.695 1.001 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.686 0.041 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.657 -0.771 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.249 1.194 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.794 2.245 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.221 2.113 -5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.671 1.334 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.917 -0.594 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.757 1.324 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -21.105 0.183 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.652 -2.054 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -21.046 -1.722 -6.159 1.00 0.00 H new ATOM 1412 N SER A 89 -12.577 -1.383 -7.069 1.00 0.00 N ATOM 1413 CA SER A 89 -11.850 -2.646 -7.078 1.00 0.00 C ATOM 1414 C SER A 89 -10.481 -2.489 -6.422 1.00 0.00 C ATOM 1415 O SER A 89 -10.009 -3.386 -5.723 1.00 0.00 O ATOM 1416 CB SER A 89 -11.686 -3.155 -8.511 1.00 0.00 C ATOM 1417 OG SER A 89 -12.778 -3.974 -8.890 1.00 0.00 O ATOM 0 H SER A 89 -12.582 -0.893 -7.964 1.00 0.00 H new ATOM 0 HA SER A 89 -12.427 -3.373 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.608 -2.309 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.758 -3.720 -8.596 1.00 0.00 H new ATOM 0 HG SER A 89 -12.650 -4.285 -9.810 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.849 -1.344 -6.653 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.535 -1.067 -6.085 1.00 0.00 C ATOM 1425 C ASP A 90 -8.547 -1.257 -4.571 1.00 0.00 C ATOM 1426 O ASP A 90 -7.578 -1.744 -3.989 1.00 0.00 O ATOM 1427 CB ASP A 90 -8.096 0.357 -6.430 1.00 0.00 C ATOM 1428 CG ASP A 90 -6.588 0.506 -6.460 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -5.991 0.721 -5.385 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.004 0.408 -7.560 1.00 0.00 O ATOM 0 H ASP A 90 -10.226 -0.592 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.824 -1.772 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.505 0.635 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.512 1.050 -5.699 1.00 0.00 H new ATOM 1435 N SER A 91 -9.650 -0.868 -3.940 1.00 0.00 N ATOM 1436 CA SER A 91 -9.786 -0.990 -2.493 1.00 0.00 C ATOM 1437 C SER A 91 -9.205 -2.313 -2.003 1.00 0.00 C ATOM 1438 O SER A 91 -9.783 -3.376 -2.220 1.00 0.00 O ATOM 1439 CB SER A 91 -11.257 -0.884 -2.087 1.00 0.00 C ATOM 1440 OG SER A 91 -11.939 0.070 -2.883 1.00 0.00 O ATOM 0 H SER A 91 -10.462 -0.466 -4.408 1.00 0.00 H new ATOM 0 HA SER A 91 -9.230 -0.175 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.737 -1.857 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.328 -0.603 -1.036 1.00 0.00 H new ATOM 0 HG SER A 91 -12.461 -0.392 -3.572 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.055 -2.237 -1.339 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.414 -3.434 -0.827 1.00 0.00 C ATOM 1448 C GLY A 92 -6.472 -3.141 0.324 1.00 0.00 C ATOM 1449 O GLY A 92 -6.716 -2.232 1.116 1.00 0.00 O ATOM 0 H GLY A 92 -7.556 -1.368 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.178 -4.138 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.860 -3.918 -1.631 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.395 -3.914 0.417 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.415 -3.733 1.482 1.00 0.00 C ATOM 1455 C GLU A 93 -2.996 -3.742 0.923 1.00 0.00 C ATOM 1456 O GLU A 93 -2.498 -4.778 0.481 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.567 -4.831 2.536 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.966 -4.468 3.884 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.504 -5.327 5.013 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -4.500 -6.567 4.869 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.927 -4.757 6.040 1.00 0.00 O ATOM 0 H GLU A 93 -5.179 -4.671 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.597 -2.764 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.626 -5.053 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.094 -5.742 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.882 -4.575 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.173 -3.420 4.100 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.350 -2.582 0.945 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.989 -2.454 0.438 1.00 0.00 C ATOM 1470 C TYR A 94 0.031 -2.715 1.542 1.00 0.00 C ATOM 1471 O TYR A 94 0.053 -2.021 2.557 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.771 -1.061 -0.154 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.551 -0.814 -1.426 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.937 -0.910 -1.444 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.901 -0.484 -2.609 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.653 -0.686 -2.604 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.610 -0.257 -3.773 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.985 -0.360 -3.766 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.695 -0.135 -4.923 1.00 0.00 O ATOM 0 H TYR A 94 -2.747 -1.716 1.309 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.849 -3.200 -0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.053 -0.313 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.291 -0.924 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.463 -1.164 -0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.176 -0.404 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.730 -0.766 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.090 -0.000 -4.684 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.601 0.162 -4.698 1.00 0.00 H new ATOM 1489 N GLU A 95 0.874 -3.722 1.334 1.00 0.00 N ATOM 1490 CA GLU A 95 1.896 -4.075 2.312 1.00 0.00 C ATOM 1491 C GLU A 95 3.283 -3.671 1.820 1.00 0.00 C ATOM 1492 O GLU A 95 3.825 -4.273 0.892 1.00 0.00 O ATOM 1493 CB GLU A 95 1.863 -5.578 2.597 1.00 0.00 C ATOM 1494 CG GLU A 95 2.971 -6.046 3.525 1.00 0.00 C ATOM 1495 CD GLU A 95 2.864 -7.521 3.865 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.087 -7.863 4.780 1.00 0.00 O ATOM 1497 OE2 GLU A 95 3.558 -8.331 3.215 1.00 0.00 O ATOM 0 H GLU A 95 0.869 -4.307 0.498 1.00 0.00 H new ATOM 0 HA GLU A 95 1.683 -3.532 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.899 -5.835 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.937 -6.120 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.937 -5.854 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.940 -5.462 4.445 1.00 0.00 H new ATOM 1504 N LEU A 96 3.851 -2.647 2.447 1.00 0.00 N ATOM 1505 CA LEU A 96 5.175 -2.160 2.074 1.00 0.00 C ATOM 1506 C LEU A 96 6.251 -2.770 2.966 1.00 0.00 C ATOM 1507 O LEU A 96 6.218 -2.618 4.187 1.00 0.00 O ATOM 1508 CB LEU A 96 5.224 -0.634 2.167 1.00 0.00 C ATOM 1509 CG LEU A 96 6.252 0.060 1.273 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.264 1.558 1.538 1.00 0.00 C ATOM 1511 CD2 LEU A 96 7.636 -0.534 1.491 1.00 0.00 C ATOM 0 H LEU A 96 3.416 -2.138 3.216 1.00 0.00 H new ATOM 0 HA LEU A 96 5.369 -2.461 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.236 -0.243 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.428 -0.359 3.202 1.00 0.00 H new ATOM 0 HG LEU A 96 5.970 -0.102 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.001 2.036 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.277 1.972 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.522 1.741 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.355 -0.028 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.928 -0.403 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.618 -1.597 1.250 1.00 0.00 H new ATOM 1523 N SER A 97 7.205 -3.458 2.348 1.00 0.00 N ATOM 1524 CA SER A 97 8.291 -4.093 3.086 1.00 0.00 C ATOM 1525 C SER A 97 9.647 -3.646 2.548 1.00 0.00 C ATOM 1526 O SER A 97 9.898 -3.699 1.344 1.00 0.00 O ATOM 1527 CB SER A 97 8.172 -5.615 3.002 1.00 0.00 C ATOM 1528 OG SER A 97 6.951 -6.064 3.564 1.00 0.00 O ATOM 0 H SER A 97 7.248 -3.590 1.338 1.00 0.00 H new ATOM 0 HA SER A 97 8.215 -3.788 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.234 -5.931 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.009 -6.078 3.526 1.00 0.00 H new ATOM 0 HG SER A 97 6.778 -6.985 3.276 1.00 0.00 H new ATOM 1534 N VAL A 98 10.519 -3.206 3.450 1.00 0.00 N ATOM 1535 CA VAL A 98 11.850 -2.751 3.068 1.00 0.00 C ATOM 1536 C VAL A 98 12.878 -3.866 3.225 1.00 0.00 C ATOM 1537 O VAL A 98 13.222 -4.254 4.341 1.00 0.00 O ATOM 1538 CB VAL A 98 12.292 -1.539 3.909 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.749 -1.199 3.633 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.395 -0.343 3.631 1.00 0.00 C ATOM 0 H VAL A 98 10.327 -3.155 4.450 1.00 0.00 H new ATOM 0 HA VAL A 98 11.795 -2.456 2.020 1.00 0.00 H new ATOM 0 HB VAL A 98 12.198 -1.797 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.043 -0.340 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.376 -2.053 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.873 -0.960 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.722 0.505 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.454 -0.081 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.365 -0.594 3.885 1.00 0.00 H new ATOM 1550 N GLN A 99 13.365 -4.377 2.098 1.00 0.00 N ATOM 1551 CA GLN A 99 14.354 -5.449 2.111 1.00 0.00 C ATOM 1552 C GLN A 99 15.770 -4.882 2.119 1.00 0.00 C ATOM 1553 O GLN A 99 16.154 -4.133 1.220 1.00 0.00 O ATOM 1554 CB GLN A 99 14.164 -6.361 0.898 1.00 0.00 C ATOM 1555 CG GLN A 99 14.616 -7.793 1.137 1.00 0.00 C ATOM 1556 CD GLN A 99 14.168 -8.738 0.039 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.926 -9.041 -0.882 1.00 0.00 O ATOM 1558 NE2 GLN A 99 12.930 -9.208 0.132 1.00 0.00 N ATOM 0 H GLN A 99 13.091 -4.066 1.166 1.00 0.00 H new ATOM 0 HA GLN A 99 14.210 -6.032 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.111 -6.363 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.718 -5.950 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.703 -7.819 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.222 -8.140 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.336 -8.930 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.573 -9.847 -0.578 1.00 0.00 H new ATOM 1567 N ILE A 100 16.541 -5.245 3.138 1.00 0.00 N ATOM 1568 CA ILE A 100 17.915 -4.773 3.261 1.00 0.00 C ATOM 1569 C ILE A 100 18.907 -5.919 3.094 1.00 0.00 C ATOM 1570 O ILE A 100 18.550 -7.087 3.239 1.00 0.00 O ATOM 1571 CB ILE A 100 18.157 -4.094 4.622 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.209 -2.906 4.799 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.606 -3.645 4.740 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.564 -1.716 3.936 1.00 0.00 C ATOM 0 H ILE A 100 16.238 -5.864 3.890 1.00 0.00 H new ATOM 0 HA ILE A 100 18.070 -4.043 2.467 1.00 0.00 H new ATOM 0 HB ILE A 100 17.956 -4.816 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.193 -3.224 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.214 -2.600 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.761 -3.167 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.263 -4.510 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.833 -2.936 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.850 -0.912 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.568 -1.372 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.531 -2.005 2.886 1.00 0.00 H new ATOM 1586 N GLU A 101 20.155 -5.575 2.790 1.00 0.00 N ATOM 1587 CA GLU A 101 21.199 -6.576 2.605 1.00 0.00 C ATOM 1588 C GLU A 101 20.941 -7.799 3.481 1.00 0.00 C ATOM 1589 O GLU A 101 20.786 -8.912 2.980 1.00 0.00 O ATOM 1590 CB GLU A 101 22.570 -5.981 2.931 1.00 0.00 C ATOM 1591 CG GLU A 101 23.200 -5.231 1.769 1.00 0.00 C ATOM 1592 CD GLU A 101 24.707 -5.120 1.895 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.181 -4.660 2.955 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.412 -5.493 0.934 1.00 0.00 O ATOM 0 H GLU A 101 20.467 -4.612 2.667 1.00 0.00 H new ATOM 0 HA GLU A 101 21.186 -6.889 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.470 -5.303 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.240 -6.783 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.954 -5.739 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.769 -4.231 1.710 1.00 0.00 H new ATOM 1601 N ASN A 102 20.899 -7.583 4.791 1.00 0.00 N ATOM 1602 CA ASN A 102 20.662 -8.667 5.738 1.00 0.00 C ATOM 1603 C ASN A 102 19.385 -8.422 6.536 1.00 0.00 C ATOM 1604 O ASN A 102 18.681 -9.363 6.904 1.00 0.00 O ATOM 1605 CB ASN A 102 21.851 -8.811 6.689 1.00 0.00 C ATOM 1606 CG ASN A 102 23.182 -8.676 5.974 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.328 -9.096 4.826 1.00 0.00 O ATOM 1608 ND2 ASN A 102 24.161 -8.088 6.653 1.00 0.00 N ATOM 0 H ASN A 102 21.026 -6.667 5.222 1.00 0.00 H new ATOM 0 HA ASN A 102 20.545 -9.591 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.782 -8.053 7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.803 -9.782 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 102 25.079 -7.969 6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.995 -7.755 7.603 1.00 0.00 H new ATOM 1615 N MET A 103 19.093 -7.153 6.801 1.00 0.00 N ATOM 1616 CA MET A 103 17.899 -6.785 7.554 1.00 0.00 C ATOM 1617 C MET A 103 16.685 -6.690 6.636 1.00 0.00 C ATOM 1618 O MET A 103 16.817 -6.688 5.412 1.00 0.00 O ATOM 1619 CB MET A 103 18.115 -5.452 8.273 1.00 0.00 C ATOM 1620 CG MET A 103 19.021 -5.558 9.490 1.00 0.00 C ATOM 1621 SD MET A 103 18.925 -4.106 10.555 1.00 0.00 S ATOM 1622 CE MET A 103 17.296 -4.317 11.269 1.00 0.00 C ATOM 0 H MET A 103 19.666 -6.363 6.506 1.00 0.00 H new ATOM 0 HA MET A 103 17.712 -7.563 8.294 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.544 -4.736 7.572 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.148 -5.055 8.583 1.00 0.00 H new ATOM 0 HG2 MET A 103 18.750 -6.444 10.064 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.051 -5.695 9.161 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.184 -3.650 12.124 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.538 -4.080 10.523 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.173 -5.350 11.596 1.00 0.00 H new ATOM 1632 N LYS A 104 15.501 -6.611 7.235 1.00 0.00 N ATOM 1633 CA LYS A 104 14.262 -6.515 6.472 1.00 0.00 C ATOM 1634 C LYS A 104 13.160 -5.868 7.304 1.00 0.00 C ATOM 1635 O LYS A 104 13.149 -5.978 8.530 1.00 0.00 O ATOM 1636 CB LYS A 104 13.817 -7.903 6.006 1.00 0.00 C ATOM 1637 CG LYS A 104 12.672 -7.871 5.008 1.00 0.00 C ATOM 1638 CD LYS A 104 11.806 -9.115 5.113 1.00 0.00 C ATOM 1639 CE LYS A 104 11.130 -9.437 3.789 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.806 -10.886 3.670 1.00 0.00 N ATOM 0 H LYS A 104 15.374 -6.612 8.247 1.00 0.00 H new ATOM 0 HA LYS A 104 14.449 -5.889 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.667 -8.416 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.515 -8.489 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.061 -6.985 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.071 -7.789 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.419 -9.961 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.049 -8.969 5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.215 -8.851 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.782 -9.142 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.347 -11.065 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.681 -11.444 3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.163 -11.162 4.440 1.00 0.00 H new ATOM 1654 N ASP A 105 12.233 -5.195 6.630 1.00 0.00 N ATOM 1655 CA ASP A 105 11.125 -4.533 7.307 1.00 0.00 C ATOM 1656 C ASP A 105 9.808 -4.804 6.586 1.00 0.00 C ATOM 1657 O ASP A 105 9.790 -5.096 5.390 1.00 0.00 O ATOM 1658 CB ASP A 105 11.375 -3.027 7.389 1.00 0.00 C ATOM 1659 CG ASP A 105 10.701 -2.392 8.589 1.00 0.00 C ATOM 1660 OD1 ASP A 105 11.029 -2.781 9.730 1.00 0.00 O ATOM 1661 OD2 ASP A 105 9.846 -1.505 8.388 1.00 0.00 O ATOM 0 H ASP A 105 12.228 -5.094 5.615 1.00 0.00 H new ATOM 0 HA ASP A 105 11.056 -4.937 8.317 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.448 -2.842 7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.012 -2.551 6.478 1.00 0.00 H new ATOM 1666 N THR A 106 8.705 -4.706 7.322 1.00 0.00 N ATOM 1667 CA THR A 106 7.384 -4.942 6.755 1.00 0.00 C ATOM 1668 C THR A 106 6.372 -3.929 7.277 1.00 0.00 C ATOM 1669 O THR A 106 6.472 -3.466 8.413 1.00 0.00 O ATOM 1670 CB THR A 106 6.881 -6.363 7.072 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.056 -6.644 8.466 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.627 -7.399 6.244 1.00 0.00 C ATOM 0 H THR A 106 8.701 -4.465 8.313 1.00 0.00 H new ATOM 0 HA THR A 106 7.481 -4.832 5.675 1.00 0.00 H new ATOM 0 HB THR A 106 5.822 -6.414 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.732 -7.548 8.661 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.254 -8.395 6.485 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.469 -7.200 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.692 -7.346 6.469 1.00 0.00 H new ATOM 1680 N ALA A 107 5.396 -3.590 6.441 1.00 0.00 N ATOM 1681 CA ALA A 107 4.363 -2.633 6.820 1.00 0.00 C ATOM 1682 C ALA A 107 3.077 -2.874 6.037 1.00 0.00 C ATOM 1683 O ALA A 107 3.113 -3.234 4.860 1.00 0.00 O ATOM 1684 CB ALA A 107 4.857 -1.210 6.604 1.00 0.00 C ATOM 0 H ALA A 107 5.299 -3.964 5.497 1.00 0.00 H new ATOM 0 HA ALA A 107 4.144 -2.773 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.076 -0.506 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.744 -1.036 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.106 -1.067 5.552 1.00 0.00 H new ATOM 1690 N THR A 108 1.941 -2.672 6.696 1.00 0.00 N ATOM 1691 CA THR A 108 0.644 -2.869 6.062 1.00 0.00 C ATOM 1692 C THR A 108 -0.106 -1.549 5.923 1.00 0.00 C ATOM 1693 O THR A 108 -0.046 -0.694 6.807 1.00 0.00 O ATOM 1694 CB THR A 108 -0.227 -3.859 6.859 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.449 -5.115 6.985 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.571 -4.067 6.178 1.00 0.00 C ATOM 0 H THR A 108 1.893 -2.372 7.670 1.00 0.00 H new ATOM 0 HA THR A 108 0.836 -3.281 5.071 1.00 0.00 H new ATOM 0 HB THR A 108 -0.401 -3.439 7.850 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.110 -5.738 7.494 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.168 -4.770 6.759 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.096 -3.114 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.413 -4.467 5.176 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.812 -1.390 4.808 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.575 -0.174 4.555 1.00 0.00 C ATOM 1706 C ILE A 109 -2.999 -0.500 4.120 1.00 0.00 C ATOM 1707 O ILE A 109 -3.219 -1.381 3.289 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.906 0.695 3.474 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.501 1.104 3.916 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.754 1.924 3.183 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.411 1.479 2.766 1.00 0.00 C ATOM 0 H ILE A 109 -0.871 -2.088 4.066 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.602 0.383 5.492 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.823 0.110 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.427 1.949 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.952 0.282 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.268 2.528 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.737 1.612 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.865 2.513 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.391 1.758 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.516 0.628 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.983 2.321 2.223 1.00 0.00 H new ATOM 1723 N ARG A 110 -3.964 0.219 4.685 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.368 0.007 4.355 1.00 0.00 C ATOM 1725 C ARG A 110 -5.898 1.140 3.480 1.00 0.00 C ATOM 1726 O ARG A 110 -5.654 2.315 3.754 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.204 -0.098 5.632 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.997 -1.400 6.389 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.760 -1.407 7.704 1.00 0.00 C ATOM 1730 NE ARG A 110 -8.201 -1.283 7.501 1.00 0.00 N ATOM 1731 CZ ARG A 110 -9.078 -1.194 8.495 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.663 -1.215 9.754 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -10.374 -1.084 8.231 1.00 0.00 N ATOM 0 H ARG A 110 -3.799 0.953 5.373 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.447 -0.927 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.957 0.737 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.259 -0.001 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.325 -2.237 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.934 -1.544 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.548 -2.331 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.410 -0.587 8.331 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.553 -1.264 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.668 -1.300 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.339 -1.146 10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.698 -1.068 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.046 -1.016 8.995 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.621 0.777 2.426 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.185 1.762 1.512 1.00 0.00 C ATOM 1749 C ILE A 111 -8.646 1.452 1.202 1.00 0.00 C ATOM 1750 O ILE A 111 -9.028 0.290 1.063 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.394 1.823 0.192 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.942 2.224 0.461 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.048 2.801 -0.773 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.030 2.023 -0.729 1.00 0.00 C ATOM 0 H ILE A 111 -6.830 -0.192 2.184 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.119 2.729 2.011 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.400 0.833 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.912 3.272 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.563 1.643 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.477 2.833 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.067 2.477 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.069 3.795 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.017 2.328 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.030 0.971 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.385 2.625 -1.565 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.457 2.499 1.093 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.876 2.338 0.799 1.00 0.00 C ATOM 1768 C ARG A 112 -11.333 3.352 -0.246 1.00 0.00 C ATOM 1769 O ARG A 112 -10.916 4.511 -0.226 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.705 2.497 2.075 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.204 2.529 1.828 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.986 2.414 3.127 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.396 2.117 2.893 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.270 1.886 3.866 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.880 1.918 5.133 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.537 1.622 3.573 1.00 0.00 N ATOM 0 H ARG A 112 -9.156 3.467 1.204 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.026 1.335 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.475 1.675 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.409 3.417 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.471 3.457 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.481 1.712 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.548 1.630 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.900 3.346 3.686 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.728 2.085 1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.907 2.120 5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.553 1.740 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.841 1.596 2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.207 1.445 4.321 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.191 2.908 -1.159 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.704 3.776 -2.212 1.00 0.00 C ATOM 1792 C VAL A 113 -14.222 3.897 -2.133 1.00 0.00 C ATOM 1793 O VAL A 113 -14.921 2.917 -1.873 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.313 3.257 -3.608 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.900 4.147 -4.693 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.800 3.169 -3.739 1.00 0.00 C ATOM 0 H VAL A 113 -12.545 1.952 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.256 4.758 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.724 2.255 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.613 3.764 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.987 4.153 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.522 5.162 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.542 2.800 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.364 4.157 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.409 2.486 -2.985 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.727 5.105 -2.360 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.163 5.355 -2.317 1.00 0.00 C ATOM 1808 C VAL A 114 -16.661 5.930 -3.638 1.00 0.00 C ATOM 1809 O VAL A 114 -15.874 6.416 -4.450 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.530 6.323 -1.176 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.056 5.777 0.162 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.941 7.701 -1.438 1.00 0.00 C ATOM 0 H VAL A 114 -14.163 5.927 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.646 4.395 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.615 6.417 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.324 6.475 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.530 4.814 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.974 5.651 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.210 8.373 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.856 7.626 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.335 8.093 -2.376 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.973 5.873 -3.845 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.576 6.389 -5.068 1.00 0.00 C ATOM 1824 C GLU A 115 -18.741 7.904 -4.996 1.00 0.00 C ATOM 1825 O GLU A 115 -18.718 8.492 -3.915 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.933 5.727 -5.312 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.840 4.243 -5.626 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.196 3.615 -5.885 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.930 3.367 -4.906 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.521 3.372 -7.065 1.00 0.00 O ATOM 0 H GLU A 115 -18.638 5.475 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.911 6.153 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.558 5.864 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.431 6.234 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.205 4.100 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.359 3.729 -4.794 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.908 8.531 -6.156 1.00 0.00 N ATOM 1838 CA LYS A 116 -19.079 9.977 -6.227 1.00 0.00 C ATOM 1839 C LYS A 116 -20.502 10.376 -5.849 1.00 0.00 C ATOM 1840 O LYS A 116 -21.470 9.841 -6.389 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.753 10.481 -7.634 1.00 0.00 C ATOM 1842 CG LYS A 116 -17.705 9.647 -8.352 1.00 0.00 C ATOM 1843 CD LYS A 116 -17.141 10.378 -9.558 1.00 0.00 C ATOM 1844 CE LYS A 116 -16.479 9.417 -10.533 1.00 0.00 C ATOM 1845 NZ LYS A 116 -17.479 8.584 -11.257 1.00 0.00 N ATOM 0 H LYS A 116 -18.928 8.059 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.391 10.435 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -19.667 10.491 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.404 11.511 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.897 9.404 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.146 8.703 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.941 10.918 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.415 11.121 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.887 9.981 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.790 8.769 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -17.035 8.160 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.822 7.829 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.279 9.180 -11.552 1.00 0.00 H new ATOM 1859 N ALA A 117 -20.620 11.320 -4.921 1.00 0.00 N ATOM 1860 CA ALA A 117 -21.925 11.793 -4.475 1.00 0.00 C ATOM 1861 C ALA A 117 -22.478 12.853 -5.422 1.00 0.00 C ATOM 1862 O ALA A 117 -22.964 13.895 -4.986 1.00 0.00 O ATOM 1863 CB ALA A 117 -21.831 12.344 -3.060 1.00 0.00 C ATOM 0 H ALA A 117 -19.828 11.772 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 117 -22.612 10.946 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -22.812 12.694 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -21.488 11.559 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -21.125 13.175 -3.039 1.00 0.00 H new ATOM 1869 N GLY A 118 -22.398 12.579 -6.720 1.00 0.00 N ATOM 1870 CA GLY A 118 -22.894 13.520 -7.708 1.00 0.00 C ATOM 1871 C GLY A 118 -24.310 13.206 -8.148 1.00 0.00 C ATOM 1872 O GLY A 118 -25.232 13.190 -7.332 1.00 0.00 O ATOM 0 H GLY A 118 -21.999 11.723 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -22.860 14.528 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -22.236 13.510 -8.577 1.00 0.00 H new TER 1876 GLY A 118