USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 18 ASN : amide:sc= -4.33! C(o=-4.3!,f=-4.7!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.467 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.38) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -52:sc= 0.281 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 43:sc= -1.67 USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 34 SER OG : rot 180:sc= -0.314 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 SER OG : rot 180:sc= -0.149 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.0367 (180deg=-0.85) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.115 F(o=-0.62,f=-0.11) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 40:sc= 0.451 USER MOD Single : A 63 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.15) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.0796 USER MOD Single : A 70 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.9!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 77 ASN : amide:sc= -0.029 X(o=-0.029,f=-0.18) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -170:sc= 0 USER MOD Single : A 93 MET CE :methyl 153:sc= -4.58 (180deg=-6.41!) USER MOD Single : A 94 HIS : no HE2:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 100 THR OG1 : rot -57:sc= 1.24 USER MOD Single : A 105 ASN : amide:sc=-0.00543 X(o=-0.0054,f=-0.16) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.77) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.881 -29.956 -10.006 1.00 0.00 N ATOM 2 CA GLY A 1 -38.605 -29.339 -10.324 1.00 0.00 C ATOM 3 C GLY A 1 -38.606 -27.854 -9.958 1.00 0.00 C ATOM 4 O GLY A 1 -39.057 -27.018 -10.740 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.854 -30.963 -10.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.066 -29.865 -8.987 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.638 -29.483 -10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.806 -29.849 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.396 -29.455 -11.388 1.00 0.00 H new ATOM 8 N SER A 2 -38.097 -27.570 -8.768 1.00 0.00 N ATOM 9 CA SER A 2 -38.035 -26.200 -8.288 1.00 0.00 C ATOM 10 C SER A 2 -36.905 -26.055 -7.266 1.00 0.00 C ATOM 11 O SER A 2 -36.912 -26.718 -6.230 1.00 0.00 O ATOM 12 CB SER A 2 -39.367 -25.771 -7.671 1.00 0.00 C ATOM 13 OG SER A 2 -40.427 -25.790 -8.623 1.00 0.00 O ATOM 0 H SER A 2 -37.724 -28.266 -8.122 1.00 0.00 H new ATOM 0 HA SER A 2 -37.834 -25.548 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.613 -26.434 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.269 -24.767 -7.258 1.00 0.00 H new ATOM 0 HG SER A 2 -41.261 -25.511 -8.190 1.00 0.00 H new ATOM 19 N SER A 3 -35.962 -25.183 -7.594 1.00 0.00 N ATOM 20 CA SER A 3 -34.829 -24.942 -6.717 1.00 0.00 C ATOM 21 C SER A 3 -34.060 -23.705 -7.184 1.00 0.00 C ATOM 22 O SER A 3 -34.249 -23.239 -8.307 1.00 0.00 O ATOM 23 CB SER A 3 -33.901 -26.158 -6.671 1.00 0.00 C ATOM 24 OG SER A 3 -33.118 -26.277 -7.855 1.00 0.00 O ATOM 0 H SER A 3 -35.960 -24.635 -8.454 1.00 0.00 H new ATOM 0 HA SER A 3 -35.207 -24.768 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.242 -26.078 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.495 -27.062 -6.537 1.00 0.00 H new ATOM 0 HG SER A 3 -32.538 -27.064 -7.786 1.00 0.00 H new ATOM 30 N GLY A 4 -33.208 -23.208 -6.299 1.00 0.00 N ATOM 31 CA GLY A 4 -32.410 -22.033 -6.607 1.00 0.00 C ATOM 32 C GLY A 4 -32.007 -21.294 -5.329 1.00 0.00 C ATOM 33 O GLY A 4 -32.523 -21.585 -4.251 1.00 0.00 O ATOM 0 H GLY A 4 -33.053 -23.597 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.517 -22.329 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.976 -21.364 -7.255 1.00 0.00 H new ATOM 37 N SER A 5 -31.088 -20.353 -5.492 1.00 0.00 N ATOM 38 CA SER A 5 -30.610 -19.571 -4.365 1.00 0.00 C ATOM 39 C SER A 5 -29.761 -18.400 -4.864 1.00 0.00 C ATOM 40 O SER A 5 -29.066 -18.518 -5.872 1.00 0.00 O ATOM 41 CB SER A 5 -29.803 -20.437 -3.396 1.00 0.00 C ATOM 42 OG SER A 5 -28.630 -20.969 -4.006 1.00 0.00 O ATOM 0 H SER A 5 -30.662 -20.115 -6.388 1.00 0.00 H new ATOM 0 HA SER A 5 -31.475 -19.182 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.522 -19.843 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.427 -21.255 -3.035 1.00 0.00 H new ATOM 0 HG SER A 5 -28.141 -21.514 -3.355 1.00 0.00 H new ATOM 48 N SER A 6 -29.845 -17.297 -4.135 1.00 0.00 N ATOM 49 CA SER A 6 -29.093 -16.106 -4.491 1.00 0.00 C ATOM 50 C SER A 6 -28.818 -15.267 -3.241 1.00 0.00 C ATOM 51 O SER A 6 -29.470 -15.446 -2.214 1.00 0.00 O ATOM 52 CB SER A 6 -29.840 -15.273 -5.535 1.00 0.00 C ATOM 53 OG SER A 6 -29.765 -15.854 -6.834 1.00 0.00 O ATOM 0 H SER A 6 -30.422 -17.203 -3.299 1.00 0.00 H new ATOM 0 HA SER A 6 -28.144 -16.419 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.885 -15.176 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.422 -14.267 -5.563 1.00 0.00 H new ATOM 0 HG SER A 6 -29.406 -16.763 -6.765 1.00 0.00 H new ATOM 59 N GLY A 7 -27.852 -14.370 -3.370 1.00 0.00 N ATOM 60 CA GLY A 7 -27.483 -13.504 -2.263 1.00 0.00 C ATOM 61 C GLY A 7 -26.128 -12.838 -2.516 1.00 0.00 C ATOM 62 O GLY A 7 -25.088 -13.374 -2.137 1.00 0.00 O ATOM 0 H GLY A 7 -27.314 -14.224 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.248 -12.740 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.441 -14.084 -1.341 1.00 0.00 H new ATOM 66 N MET A 8 -26.185 -11.678 -3.155 1.00 0.00 N ATOM 67 CA MET A 8 -24.976 -10.934 -3.463 1.00 0.00 C ATOM 68 C MET A 8 -24.143 -10.696 -2.202 1.00 0.00 C ATOM 69 O MET A 8 -24.658 -10.776 -1.088 1.00 0.00 O ATOM 70 CB MET A 8 -25.350 -9.589 -4.089 1.00 0.00 C ATOM 71 CG MET A 8 -24.396 -9.231 -5.230 1.00 0.00 C ATOM 72 SD MET A 8 -25.321 -8.635 -6.636 1.00 0.00 S ATOM 73 CE MET A 8 -24.069 -8.750 -7.902 1.00 0.00 C ATOM 0 H MET A 8 -27.049 -11.236 -3.467 1.00 0.00 H new ATOM 0 HA MET A 8 -24.381 -11.518 -4.164 1.00 0.00 H new ATOM 0 HB2 MET A 8 -26.372 -9.630 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 8 -25.321 -8.809 -3.328 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.690 -8.469 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.811 -10.106 -5.514 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.481 -8.413 -8.853 1.00 0.00 H new ATOM 0 HE2 MET A 8 -23.220 -8.122 -7.632 1.00 0.00 H new ATOM 0 HE3 MET A 8 -23.740 -9.785 -7.995 1.00 0.00 H new ATOM 83 N SER A 9 -22.867 -10.409 -2.420 1.00 0.00 N ATOM 84 CA SER A 9 -21.957 -10.159 -1.315 1.00 0.00 C ATOM 85 C SER A 9 -20.653 -9.554 -1.838 1.00 0.00 C ATOM 86 O SER A 9 -20.226 -8.496 -1.377 1.00 0.00 O ATOM 87 CB SER A 9 -21.671 -11.444 -0.536 1.00 0.00 C ATOM 88 OG SER A 9 -22.179 -11.386 0.794 1.00 0.00 O ATOM 0 H SER A 9 -22.443 -10.344 -3.345 1.00 0.00 H new ATOM 0 HA SER A 9 -22.431 -9.452 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 9 -22.117 -12.291 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.595 -11.618 -0.506 1.00 0.00 H new ATOM 0 HG SER A 9 -21.978 -12.225 1.258 1.00 0.00 H new ATOM 94 N SER A 10 -20.056 -10.251 -2.794 1.00 0.00 N ATOM 95 CA SER A 10 -18.809 -9.795 -3.385 1.00 0.00 C ATOM 96 C SER A 10 -17.859 -9.307 -2.289 1.00 0.00 C ATOM 97 O SER A 10 -17.773 -8.108 -2.027 1.00 0.00 O ATOM 98 CB SER A 10 -19.057 -8.684 -4.407 1.00 0.00 C ATOM 99 OG SER A 10 -19.541 -9.196 -5.645 1.00 0.00 O ATOM 0 H SER A 10 -20.413 -11.128 -3.174 1.00 0.00 H new ATOM 0 HA SER A 10 -18.350 -10.635 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.777 -7.973 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.131 -8.136 -4.579 1.00 0.00 H new ATOM 0 HG SER A 10 -19.688 -8.456 -6.270 1.00 0.00 H new ATOM 105 N HIS A 11 -17.170 -10.260 -1.680 1.00 0.00 N ATOM 106 CA HIS A 11 -16.229 -9.942 -0.619 1.00 0.00 C ATOM 107 C HIS A 11 -14.829 -10.412 -1.017 1.00 0.00 C ATOM 108 O HIS A 11 -14.681 -11.415 -1.713 1.00 0.00 O ATOM 109 CB HIS A 11 -16.695 -10.531 0.714 1.00 0.00 C ATOM 110 CG HIS A 11 -16.965 -9.497 1.781 1.00 0.00 C ATOM 111 ND1 HIS A 11 -16.140 -8.406 1.993 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.975 -9.399 2.692 1.00 0.00 C ATOM 113 CE1 HIS A 11 -16.640 -7.691 2.990 1.00 0.00 C ATOM 114 NE2 HIS A 11 -17.777 -8.308 3.422 1.00 0.00 N ATOM 0 H HIS A 11 -17.244 -11.253 -1.901 1.00 0.00 H new ATOM 0 HA HIS A 11 -16.186 -8.862 -0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.603 -11.110 0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.937 -11.225 1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -18.797 -10.091 2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.221 -6.780 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -18.377 -7.984 4.181 1.00 0.00 H new ATOM 122 N VAL A 12 -13.836 -9.663 -0.559 1.00 0.00 N ATOM 123 CA VAL A 12 -12.453 -9.990 -0.858 1.00 0.00 C ATOM 124 C VAL A 12 -12.185 -11.449 -0.485 1.00 0.00 C ATOM 125 O VAL A 12 -12.600 -11.908 0.578 1.00 0.00 O ATOM 126 CB VAL A 12 -11.517 -9.010 -0.147 1.00 0.00 C ATOM 127 CG1 VAL A 12 -10.054 -9.418 -0.329 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.752 -7.578 -0.632 1.00 0.00 C ATOM 0 H VAL A 12 -13.963 -8.831 0.017 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.260 -9.887 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.743 -9.044 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.411 -8.705 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.899 -10.413 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.808 -9.427 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.074 -6.902 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.567 -7.522 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.783 -7.289 -0.426 1.00 0.00 H new ATOM 138 N PRO A 13 -11.475 -12.157 -1.404 1.00 0.00 N ATOM 139 CA PRO A 13 -11.147 -13.555 -1.181 1.00 0.00 C ATOM 140 C PRO A 13 -10.024 -13.698 -0.152 1.00 0.00 C ATOM 141 O PRO A 13 -9.586 -12.710 0.435 1.00 0.00 O ATOM 142 CB PRO A 13 -10.769 -14.093 -2.552 1.00 0.00 C ATOM 143 CG PRO A 13 -10.450 -12.876 -3.404 1.00 0.00 C ATOM 144 CD PRO A 13 -10.967 -11.647 -2.674 1.00 0.00 C ATOM 0 HA PRO A 13 -11.979 -14.121 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.909 -14.760 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.587 -14.669 -2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.376 -12.797 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.919 -12.963 -4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.174 -10.916 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.752 -11.149 -3.243 1.00 0.00 H new ATOM 152 N ALA A 14 -9.590 -14.936 0.035 1.00 0.00 N ATOM 153 CA ALA A 14 -8.527 -15.221 0.983 1.00 0.00 C ATOM 154 C ALA A 14 -7.238 -15.530 0.219 1.00 0.00 C ATOM 155 O ALA A 14 -6.219 -15.864 0.822 1.00 0.00 O ATOM 156 CB ALA A 14 -8.952 -16.371 1.898 1.00 0.00 C ATOM 0 H ALA A 14 -9.956 -15.753 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.336 -14.355 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.154 -16.584 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.855 -16.090 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.150 -17.259 1.298 1.00 0.00 H new ATOM 162 N ASP A 15 -7.324 -15.408 -1.097 1.00 0.00 N ATOM 163 CA ASP A 15 -6.177 -15.670 -1.950 1.00 0.00 C ATOM 164 C ASP A 15 -5.587 -14.341 -2.427 1.00 0.00 C ATOM 165 O ASP A 15 -4.406 -14.267 -2.762 1.00 0.00 O ATOM 166 CB ASP A 15 -6.582 -16.478 -3.185 1.00 0.00 C ATOM 167 CG ASP A 15 -5.643 -17.633 -3.538 1.00 0.00 C ATOM 168 OD1 ASP A 15 -5.366 -18.439 -2.623 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.225 -17.685 -4.714 1.00 0.00 O ATOM 0 H ASP A 15 -8.171 -15.131 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.449 -16.237 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.583 -16.879 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.641 -15.803 -4.039 1.00 0.00 H new ATOM 174 N MET A 16 -6.437 -13.325 -2.443 1.00 0.00 N ATOM 175 CA MET A 16 -6.015 -12.003 -2.874 1.00 0.00 C ATOM 176 C MET A 16 -5.879 -11.055 -1.680 1.00 0.00 C ATOM 177 O MET A 16 -6.398 -11.333 -0.600 1.00 0.00 O ATOM 178 CB MET A 16 -7.037 -11.437 -3.862 1.00 0.00 C ATOM 179 CG MET A 16 -7.153 -12.327 -5.100 1.00 0.00 C ATOM 180 SD MET A 16 -7.440 -11.324 -6.549 1.00 0.00 S ATOM 181 CE MET A 16 -5.766 -10.824 -6.915 1.00 0.00 C ATOM 0 H MET A 16 -7.416 -13.391 -2.164 1.00 0.00 H new ATOM 0 HA MET A 16 -5.042 -12.092 -3.356 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.010 -11.354 -3.377 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.742 -10.431 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.240 -12.910 -5.226 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.970 -13.038 -4.972 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.762 -10.187 -7.799 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.358 -10.273 -6.068 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.155 -11.707 -7.101 1.00 0.00 H new ATOM 191 N ILE A 17 -5.178 -9.956 -1.915 1.00 0.00 N ATOM 192 CA ILE A 17 -4.967 -8.965 -0.873 1.00 0.00 C ATOM 193 C ILE A 17 -5.563 -7.628 -1.318 1.00 0.00 C ATOM 194 O ILE A 17 -5.120 -7.046 -2.307 1.00 0.00 O ATOM 195 CB ILE A 17 -3.484 -8.885 -0.503 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.933 -10.267 -0.144 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.254 -7.868 0.616 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.473 -10.404 -0.578 1.00 0.00 C ATOM 0 H ILE A 17 -4.749 -9.730 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.485 -9.256 0.041 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.932 -8.535 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.013 -10.426 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.533 -11.038 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.192 -7.830 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.586 -6.883 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.819 -8.165 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.106 -11.395 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.400 -10.268 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.871 -9.647 -0.075 1.00 0.00 H new ATOM 210 N ASN A 18 -6.558 -7.181 -0.566 1.00 0.00 N ATOM 211 CA ASN A 18 -7.219 -5.923 -0.871 1.00 0.00 C ATOM 212 C ASN A 18 -6.348 -4.763 -0.384 1.00 0.00 C ATOM 213 O ASN A 18 -5.906 -4.754 0.764 1.00 0.00 O ATOM 214 CB ASN A 18 -8.573 -5.828 -0.165 1.00 0.00 C ATOM 215 CG ASN A 18 -9.672 -5.404 -1.141 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.836 -5.964 -2.213 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.413 -4.386 -0.713 1.00 0.00 N ATOM 0 H ASN A 18 -6.922 -7.667 0.253 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.370 -5.874 -1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.826 -6.792 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.511 -5.110 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.172 -4.029 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.222 -3.963 0.195 1.00 0.00 H new ATOM 224 N LEU A 19 -6.129 -3.813 -1.280 1.00 0.00 N ATOM 225 CA LEU A 19 -5.319 -2.651 -0.956 1.00 0.00 C ATOM 226 C LEU A 19 -6.166 -1.386 -1.110 1.00 0.00 C ATOM 227 O LEU A 19 -7.017 -1.309 -1.994 1.00 0.00 O ATOM 228 CB LEU A 19 -4.038 -2.640 -1.793 1.00 0.00 C ATOM 229 CG LEU A 19 -2.855 -3.421 -1.218 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.002 -2.533 -0.308 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.329 -4.687 -0.503 1.00 0.00 C ATOM 0 H LEU A 19 -6.498 -3.824 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.992 -2.692 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.269 -3.042 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.729 -1.604 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.220 -3.738 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.168 -3.112 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.618 -1.688 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.612 -2.165 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.468 -5.223 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.998 -4.415 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.859 -5.326 -1.209 1.00 0.00 H new ATOM 243 N ARG A 20 -5.902 -0.425 -0.236 1.00 0.00 N ATOM 244 CA ARG A 20 -6.629 0.832 -0.264 1.00 0.00 C ATOM 245 C ARG A 20 -5.724 1.957 -0.771 1.00 0.00 C ATOM 246 O ARG A 20 -4.822 2.401 -0.061 1.00 0.00 O ATOM 247 CB ARG A 20 -7.153 1.196 1.126 1.00 0.00 C ATOM 248 CG ARG A 20 -8.619 1.631 1.063 1.00 0.00 C ATOM 249 CD ARG A 20 -9.184 1.860 2.466 1.00 0.00 C ATOM 250 NE ARG A 20 -10.487 1.172 2.605 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.208 1.149 3.735 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.756 1.775 4.830 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.380 0.501 3.769 1.00 0.00 N ATOM 0 H ARG A 20 -5.195 -0.492 0.496 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.476 0.710 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.053 0.339 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.549 2.000 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.705 2.547 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.206 0.869 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.485 1.487 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.306 2.928 2.648 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.860 0.685 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.864 2.269 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.304 1.758 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.724 0.025 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.928 0.484 4.629 1.00 0.00 H new ATOM 267 N LEU A 21 -5.996 2.386 -1.994 1.00 0.00 N ATOM 268 CA LEU A 21 -5.217 3.451 -2.604 1.00 0.00 C ATOM 269 C LEU A 21 -5.837 4.802 -2.241 1.00 0.00 C ATOM 270 O LEU A 21 -7.057 4.955 -2.261 1.00 0.00 O ATOM 271 CB LEU A 21 -5.083 3.221 -4.111 1.00 0.00 C ATOM 272 CG LEU A 21 -4.214 2.035 -4.533 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.753 2.458 -4.703 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.362 0.870 -3.553 1.00 0.00 C ATOM 0 H LEU A 21 -6.745 2.016 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.200 3.451 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.081 3.081 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.673 4.125 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.563 1.685 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.157 1.596 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.685 3.231 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.375 2.849 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.734 0.040 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.055 1.191 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.403 0.548 -3.526 1.00 0.00 H new ATOM 286 N ILE A 22 -4.967 5.748 -1.919 1.00 0.00 N ATOM 287 CA ILE A 22 -5.414 7.081 -1.552 1.00 0.00 C ATOM 288 C ILE A 22 -4.485 8.118 -2.187 1.00 0.00 C ATOM 289 O ILE A 22 -3.267 7.945 -2.192 1.00 0.00 O ATOM 290 CB ILE A 22 -5.530 7.208 -0.032 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.299 6.025 0.560 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.151 8.550 0.361 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.384 6.134 2.084 1.00 0.00 C ATOM 0 H ILE A 22 -3.955 5.618 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.415 7.268 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.525 7.183 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.303 5.991 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.806 5.092 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.222 8.614 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.527 9.363 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.148 8.631 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.935 5.281 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.379 6.143 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.899 7.056 2.355 1.00 0.00 H new ATOM 305 N LEU A 23 -5.095 9.173 -2.706 1.00 0.00 N ATOM 306 CA LEU A 23 -4.338 10.238 -3.342 1.00 0.00 C ATOM 307 C LEU A 23 -3.701 11.118 -2.265 1.00 0.00 C ATOM 308 O LEU A 23 -2.482 11.115 -2.096 1.00 0.00 O ATOM 309 CB LEU A 23 -5.221 11.010 -4.324 1.00 0.00 C ATOM 310 CG LEU A 23 -4.780 10.979 -5.789 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.495 11.783 -5.993 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.641 9.539 -6.289 1.00 0.00 C ATOM 0 H LEU A 23 -6.105 9.313 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.525 9.824 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.234 10.612 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.267 12.050 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.555 11.455 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.204 11.744 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.664 12.820 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.699 11.359 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.327 9.545 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.897 9.016 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.601 9.029 -6.202 1.00 0.00 H new ATOM 324 N VAL A 24 -4.554 11.850 -1.563 1.00 0.00 N ATOM 325 CA VAL A 24 -4.090 12.734 -0.507 1.00 0.00 C ATOM 326 C VAL A 24 -4.996 12.580 0.716 1.00 0.00 C ATOM 327 O VAL A 24 -5.856 13.423 0.965 1.00 0.00 O ATOM 328 CB VAL A 24 -4.019 14.173 -1.022 1.00 0.00 C ATOM 329 CG1 VAL A 24 -2.956 14.312 -2.114 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.385 14.644 -1.522 1.00 0.00 C ATOM 0 H VAL A 24 -5.564 11.849 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.080 12.464 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.729 14.814 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.926 15.344 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.982 14.037 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.202 13.654 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.307 15.670 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.717 13.998 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.106 14.600 -0.706 1.00 0.00 H new ATOM 340 N SER A 25 -4.773 11.497 1.446 1.00 0.00 N ATOM 341 CA SER A 25 -5.559 11.222 2.636 1.00 0.00 C ATOM 342 C SER A 25 -7.022 11.602 2.397 1.00 0.00 C ATOM 343 O SER A 25 -7.663 12.194 3.263 1.00 0.00 O ATOM 344 CB SER A 25 -5.007 11.977 3.848 1.00 0.00 C ATOM 345 OG SER A 25 -5.625 11.562 5.063 1.00 0.00 O ATOM 0 H SER A 25 -4.059 10.800 1.236 1.00 0.00 H new ATOM 0 HA SER A 25 -5.497 10.154 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.931 11.817 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.162 13.047 3.710 1.00 0.00 H new ATOM 0 HG SER A 25 -6.599 11.603 4.965 1.00 0.00 H new ATOM 351 N GLY A 26 -7.507 11.244 1.217 1.00 0.00 N ATOM 352 CA GLY A 26 -8.882 11.539 0.852 1.00 0.00 C ATOM 353 C GLY A 26 -9.525 10.354 0.130 1.00 0.00 C ATOM 354 O GLY A 26 -9.402 9.212 0.571 1.00 0.00 O ATOM 0 H GLY A 26 -6.972 10.752 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.456 11.779 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.910 12.419 0.210 1.00 0.00 H new ATOM 358 N LYS A 27 -10.197 10.665 -0.969 1.00 0.00 N ATOM 359 CA LYS A 27 -10.859 9.639 -1.757 1.00 0.00 C ATOM 360 C LYS A 27 -9.959 8.405 -1.839 1.00 0.00 C ATOM 361 O LYS A 27 -8.740 8.527 -1.948 1.00 0.00 O ATOM 362 CB LYS A 27 -11.268 10.194 -3.123 1.00 0.00 C ATOM 363 CG LYS A 27 -12.559 11.009 -3.020 1.00 0.00 C ATOM 364 CD LYS A 27 -13.684 10.358 -3.826 1.00 0.00 C ATOM 365 CE LYS A 27 -14.656 9.613 -2.909 1.00 0.00 C ATOM 366 NZ LYS A 27 -15.795 9.075 -3.687 1.00 0.00 N ATOM 0 H LYS A 27 -10.297 11.613 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.785 9.327 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.469 10.821 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.407 9.373 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.857 11.094 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.384 12.021 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.222 11.121 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.261 9.665 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.137 8.799 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.023 10.286 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.445 8.573 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.300 9.858 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.441 8.416 -4.410 1.00 0.00 H new ATOM 380 N THR A 28 -10.594 7.244 -1.783 1.00 0.00 N ATOM 381 CA THR A 28 -9.866 5.988 -1.850 1.00 0.00 C ATOM 382 C THR A 28 -10.624 4.977 -2.713 1.00 0.00 C ATOM 383 O THR A 28 -11.797 5.178 -3.025 1.00 0.00 O ATOM 384 CB THR A 28 -9.625 5.505 -0.419 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.693 4.436 -0.565 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.861 4.840 0.191 1.00 0.00 C ATOM 0 H THR A 28 -11.605 7.146 -1.692 1.00 0.00 H new ATOM 0 HA THR A 28 -8.897 6.118 -2.333 1.00 0.00 H new ATOM 0 HB THR A 28 -9.323 6.348 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.002 4.690 -1.212 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.636 4.516 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.685 5.553 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.144 3.977 -0.411 1.00 0.00 H new ATOM 394 N LYS A 29 -9.923 3.913 -3.075 1.00 0.00 N ATOM 395 CA LYS A 29 -10.515 2.870 -3.895 1.00 0.00 C ATOM 396 C LYS A 29 -10.019 1.505 -3.415 1.00 0.00 C ATOM 397 O LYS A 29 -9.034 1.421 -2.682 1.00 0.00 O ATOM 398 CB LYS A 29 -10.244 3.136 -5.378 1.00 0.00 C ATOM 399 CG LYS A 29 -11.356 3.987 -5.994 1.00 0.00 C ATOM 400 CD LYS A 29 -12.558 3.123 -6.380 1.00 0.00 C ATOM 401 CE LYS A 29 -12.441 2.635 -7.825 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.132 1.187 -7.859 1.00 0.00 N ATOM 0 H LYS A 29 -8.950 3.751 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.600 2.871 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.287 3.645 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.167 2.189 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.668 4.754 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.977 4.504 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.626 2.268 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.477 3.697 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.373 2.827 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.659 3.192 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.073 0.868 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.223 1.015 -7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.883 0.660 -7.370 1.00 0.00 H new ATOM 416 N GLU A 30 -10.723 0.469 -3.847 1.00 0.00 N ATOM 417 CA GLU A 30 -10.366 -0.888 -3.470 1.00 0.00 C ATOM 418 C GLU A 30 -9.744 -1.623 -4.659 1.00 0.00 C ATOM 419 O GLU A 30 -10.303 -1.623 -5.755 1.00 0.00 O ATOM 420 CB GLU A 30 -11.581 -1.646 -2.932 1.00 0.00 C ATOM 421 CG GLU A 30 -12.162 -0.947 -1.702 1.00 0.00 C ATOM 422 CD GLU A 30 -12.620 -1.966 -0.657 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.200 -2.990 -1.080 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.381 -1.699 0.540 1.00 0.00 O ATOM 0 H GLU A 30 -11.539 0.542 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.627 -0.839 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.343 -1.717 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.293 -2.665 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.412 -0.286 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.004 -0.322 -1.999 1.00 0.00 H new ATOM 431 N PHE A 31 -8.595 -2.231 -4.403 1.00 0.00 N ATOM 432 CA PHE A 31 -7.891 -2.968 -5.439 1.00 0.00 C ATOM 433 C PHE A 31 -7.598 -4.401 -4.989 1.00 0.00 C ATOM 434 O PHE A 31 -7.801 -4.744 -3.826 1.00 0.00 O ATOM 435 CB PHE A 31 -6.567 -2.242 -5.683 1.00 0.00 C ATOM 436 CG PHE A 31 -6.719 -0.884 -6.372 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.271 0.161 -5.699 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.304 -0.722 -7.656 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.413 1.422 -6.338 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.446 0.538 -8.295 1.00 0.00 C ATOM 441 CZ PHE A 31 -6.997 1.583 -7.622 1.00 0.00 C ATOM 0 H PHE A 31 -8.134 -2.228 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.501 -3.016 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.062 -2.099 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.923 -2.877 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.601 0.032 -4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.866 -1.552 -8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.851 2.252 -5.804 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.116 0.666 -9.315 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.104 2.542 -8.108 1.00 0.00 H new ATOM 451 N LEU A 32 -7.124 -5.199 -5.935 1.00 0.00 N ATOM 452 CA LEU A 32 -6.801 -6.586 -5.651 1.00 0.00 C ATOM 453 C LEU A 32 -5.392 -6.892 -6.163 1.00 0.00 C ATOM 454 O LEU A 32 -5.056 -6.566 -7.300 1.00 0.00 O ATOM 455 CB LEU A 32 -7.876 -7.514 -6.219 1.00 0.00 C ATOM 456 CG LEU A 32 -9.197 -7.561 -5.448 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.387 -7.659 -6.404 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.192 -8.695 -4.421 1.00 0.00 C ATOM 0 H LEU A 32 -6.956 -4.911 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.796 -6.763 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.087 -7.209 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.469 -8.524 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.304 -6.627 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.313 -7.691 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.398 -6.790 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.299 -8.566 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.142 -8.706 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.051 -9.648 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.379 -8.540 -3.712 1.00 0.00 H new ATOM 470 N PHE A 33 -4.605 -7.516 -5.298 1.00 0.00 N ATOM 471 CA PHE A 33 -3.240 -7.870 -5.649 1.00 0.00 C ATOM 472 C PHE A 33 -2.850 -9.219 -5.042 1.00 0.00 C ATOM 473 O PHE A 33 -3.481 -9.683 -4.093 1.00 0.00 O ATOM 474 CB PHE A 33 -2.333 -6.782 -5.069 1.00 0.00 C ATOM 475 CG PHE A 33 -2.642 -5.375 -5.583 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.570 -5.106 -6.914 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.990 -4.393 -4.709 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.857 -3.799 -7.391 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.277 -3.087 -5.186 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.205 -2.817 -6.517 1.00 0.00 C ATOM 0 H PHE A 33 -4.887 -7.785 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.142 -7.947 -6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.424 -6.789 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.297 -7.024 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.295 -5.886 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.048 -4.607 -3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.799 -3.585 -8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.553 -2.307 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.424 -1.824 -6.880 1.00 0.00 H new ATOM 490 N SER A 34 -1.813 -9.812 -5.615 1.00 0.00 N ATOM 491 CA SER A 34 -1.331 -11.099 -5.143 1.00 0.00 C ATOM 492 C SER A 34 -0.048 -10.912 -4.331 1.00 0.00 C ATOM 493 O SER A 34 0.568 -9.848 -4.373 1.00 0.00 O ATOM 494 CB SER A 34 -1.087 -12.058 -6.309 1.00 0.00 C ATOM 495 OG SER A 34 0.216 -12.633 -6.263 1.00 0.00 O ATOM 0 H SER A 34 -1.293 -9.425 -6.402 1.00 0.00 H new ATOM 0 HA SER A 34 -2.097 -11.537 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.834 -12.851 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.215 -11.524 -7.251 1.00 0.00 H new ATOM 0 HG SER A 34 0.333 -13.240 -7.023 1.00 0.00 H new ATOM 501 N PRO A 35 0.327 -11.990 -3.592 1.00 0.00 N ATOM 502 CA PRO A 35 1.527 -11.955 -2.773 1.00 0.00 C ATOM 503 C PRO A 35 2.785 -12.065 -3.636 1.00 0.00 C ATOM 504 O PRO A 35 3.899 -11.919 -3.137 1.00 0.00 O ATOM 505 CB PRO A 35 1.371 -13.112 -1.799 1.00 0.00 C ATOM 506 CG PRO A 35 0.323 -14.030 -2.406 1.00 0.00 C ATOM 507 CD PRO A 35 -0.377 -13.267 -3.518 1.00 0.00 C ATOM 0 HA PRO A 35 1.643 -11.013 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.317 -13.636 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.057 -12.757 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.789 -14.934 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.395 -14.344 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.321 -13.806 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.434 -13.124 -3.295 1.00 0.00 H new ATOM 515 N ASN A 36 2.564 -12.322 -4.917 1.00 0.00 N ATOM 516 CA ASN A 36 3.666 -12.454 -5.855 1.00 0.00 C ATOM 517 C ASN A 36 3.896 -11.114 -6.556 1.00 0.00 C ATOM 518 O ASN A 36 5.004 -10.828 -7.008 1.00 0.00 O ATOM 519 CB ASN A 36 3.355 -13.501 -6.927 1.00 0.00 C ATOM 520 CG ASN A 36 3.069 -14.864 -6.295 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.615 -15.227 -5.266 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.184 -15.597 -6.966 1.00 0.00 N ATOM 0 H ASN A 36 1.638 -12.442 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 36 4.550 -12.762 -5.296 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.494 -13.181 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.197 -13.584 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.925 -16.523 -6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.764 -15.233 -7.821 1.00 0.00 H new ATOM 529 N ASP A 37 2.832 -10.327 -6.624 1.00 0.00 N ATOM 530 CA ASP A 37 2.904 -9.024 -7.263 1.00 0.00 C ATOM 531 C ASP A 37 3.802 -8.104 -6.433 1.00 0.00 C ATOM 532 O ASP A 37 3.840 -8.207 -5.208 1.00 0.00 O ATOM 533 CB ASP A 37 1.520 -8.378 -7.353 1.00 0.00 C ATOM 534 CG ASP A 37 0.644 -8.883 -8.501 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.212 -9.106 -9.592 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.573 -9.035 -8.262 1.00 0.00 O ATOM 0 H ASP A 37 1.915 -10.567 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 37 3.304 -9.162 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.995 -8.548 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.645 -7.300 -7.458 1.00 0.00 H new ATOM 541 N SER A 38 4.503 -7.225 -7.135 1.00 0.00 N ATOM 542 CA SER A 38 5.398 -6.287 -6.478 1.00 0.00 C ATOM 543 C SER A 38 4.779 -4.888 -6.475 1.00 0.00 C ATOM 544 O SER A 38 3.816 -4.630 -7.194 1.00 0.00 O ATOM 545 CB SER A 38 6.766 -6.261 -7.163 1.00 0.00 C ATOM 546 OG SER A 38 6.695 -5.710 -8.476 1.00 0.00 O ATOM 0 H SER A 38 4.469 -7.143 -8.151 1.00 0.00 H new ATOM 0 HA SER A 38 5.543 -6.615 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.462 -5.676 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.164 -7.274 -7.216 1.00 0.00 H new ATOM 0 HG SER A 38 7.588 -5.709 -8.879 1.00 0.00 H new ATOM 552 N ALA A 39 5.358 -4.022 -5.656 1.00 0.00 N ATOM 553 CA ALA A 39 4.875 -2.656 -5.549 1.00 0.00 C ATOM 554 C ALA A 39 4.714 -2.065 -6.951 1.00 0.00 C ATOM 555 O ALA A 39 3.814 -1.262 -7.190 1.00 0.00 O ATOM 556 CB ALA A 39 5.836 -1.841 -4.680 1.00 0.00 C ATOM 0 H ALA A 39 6.157 -4.240 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 39 3.898 -2.631 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.474 -0.816 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.893 -2.285 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.827 -1.841 -5.135 1.00 0.00 H new ATOM 562 N SER A 40 5.601 -2.485 -7.841 1.00 0.00 N ATOM 563 CA SER A 40 5.569 -2.008 -9.213 1.00 0.00 C ATOM 564 C SER A 40 4.217 -2.338 -9.850 1.00 0.00 C ATOM 565 O SER A 40 3.439 -1.439 -10.164 1.00 0.00 O ATOM 566 CB SER A 40 6.706 -2.617 -10.035 1.00 0.00 C ATOM 567 OG SER A 40 6.539 -2.385 -11.431 1.00 0.00 O ATOM 0 H SER A 40 6.347 -3.151 -7.638 1.00 0.00 H new ATOM 0 HA SER A 40 5.704 -0.926 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.656 -2.194 -9.708 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.754 -3.690 -9.849 1.00 0.00 H new ATOM 0 HG SER A 40 7.286 -2.788 -11.921 1.00 0.00 H new ATOM 573 N ASP A 41 3.980 -3.630 -10.021 1.00 0.00 N ATOM 574 CA ASP A 41 2.736 -4.090 -10.615 1.00 0.00 C ATOM 575 C ASP A 41 1.570 -3.296 -10.024 1.00 0.00 C ATOM 576 O ASP A 41 0.650 -2.909 -10.744 1.00 0.00 O ATOM 577 CB ASP A 41 2.499 -5.572 -10.317 1.00 0.00 C ATOM 578 CG ASP A 41 1.265 -6.177 -10.990 1.00 0.00 C ATOM 579 OD1 ASP A 41 1.385 -6.529 -12.184 1.00 0.00 O ATOM 580 OD2 ASP A 41 0.230 -6.275 -10.296 1.00 0.00 O ATOM 0 H ASP A 41 4.628 -4.373 -9.759 1.00 0.00 H new ATOM 0 HA ASP A 41 2.803 -3.945 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.378 -6.135 -10.630 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.406 -5.700 -9.239 1.00 0.00 H new ATOM 585 N ILE A 42 1.645 -3.077 -8.720 1.00 0.00 N ATOM 586 CA ILE A 42 0.606 -2.336 -8.024 1.00 0.00 C ATOM 587 C ILE A 42 0.540 -0.914 -8.583 1.00 0.00 C ATOM 588 O ILE A 42 -0.381 -0.577 -9.326 1.00 0.00 O ATOM 589 CB ILE A 42 0.830 -2.393 -6.512 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.801 -3.837 -6.007 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.179 -1.509 -5.775 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.129 -3.903 -4.514 1.00 0.00 C ATOM 0 H ILE A 42 2.409 -3.400 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.369 -2.792 -8.196 1.00 0.00 H new ATOM 0 HB ILE A 42 1.823 -1.997 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.184 -4.269 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.519 -4.436 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.002 -1.567 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.068 -0.476 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.190 -1.853 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.101 -4.941 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.124 -3.493 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.395 -3.323 -3.954 1.00 0.00 H new ATOM 604 N ALA A 43 1.528 -0.116 -8.204 1.00 0.00 N ATOM 605 CA ALA A 43 1.593 1.262 -8.658 1.00 0.00 C ATOM 606 C ALA A 43 1.190 1.329 -10.133 1.00 0.00 C ATOM 607 O ALA A 43 0.362 2.154 -10.517 1.00 0.00 O ATOM 608 CB ALA A 43 2.998 1.815 -8.413 1.00 0.00 C ATOM 0 H ALA A 43 2.290 -0.398 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 43 0.895 1.883 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.047 2.849 -8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.225 1.773 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.725 1.217 -8.963 1.00 0.00 H new ATOM 614 N LYS A 44 1.794 0.449 -10.919 1.00 0.00 N ATOM 615 CA LYS A 44 1.508 0.398 -12.342 1.00 0.00 C ATOM 616 C LYS A 44 0.022 0.101 -12.549 1.00 0.00 C ATOM 617 O LYS A 44 -0.672 0.842 -13.243 1.00 0.00 O ATOM 618 CB LYS A 44 2.437 -0.598 -13.039 1.00 0.00 C ATOM 619 CG LYS A 44 3.229 0.081 -14.158 1.00 0.00 C ATOM 620 CD LYS A 44 4.473 0.778 -13.604 1.00 0.00 C ATOM 621 CE LYS A 44 5.041 1.774 -14.617 1.00 0.00 C ATOM 622 NZ LYS A 44 6.206 1.192 -15.320 1.00 0.00 N ATOM 0 H LYS A 44 2.480 -0.234 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 44 1.708 1.364 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.125 -1.029 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.852 -1.420 -13.450 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.524 -0.660 -14.901 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.596 0.808 -14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.221 1.298 -12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.230 0.035 -13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.271 2.045 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.337 2.691 -14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.856 1.953 -15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.701 0.533 -14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.881 0.680 -16.165 1.00 0.00 H new ATOM 636 N HIS A 45 -0.424 -0.985 -11.934 1.00 0.00 N ATOM 637 CA HIS A 45 -1.815 -1.389 -12.043 1.00 0.00 C ATOM 638 C HIS A 45 -2.716 -0.156 -11.948 1.00 0.00 C ATOM 639 O HIS A 45 -3.418 0.179 -12.902 1.00 0.00 O ATOM 640 CB HIS A 45 -2.155 -2.453 -10.997 1.00 0.00 C ATOM 641 CG HIS A 45 -3.612 -2.849 -10.975 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.720 -2.150 -10.597 1.00 0.00 N flip ATOM 643 CD2 HIS A 45 -4.055 -4.098 -11.374 1.00 0.00 C flip ATOM 644 CE1 HIS A 45 -5.783 -2.928 -10.758 1.00 0.00 C flip ATOM 645 NE2 HIS A 45 -5.373 -4.137 -11.239 1.00 0.00 N flip ATOM 0 H HIS A 45 0.154 -1.597 -11.358 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.989 -1.850 -13.016 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.551 -3.340 -11.186 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.875 -2.081 -10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.433 -4.904 -11.734 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.804 -2.650 -10.544 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.975 -4.931 -11.456 1.00 0.00 H new ATOM 653 N VAL A 46 -2.668 0.485 -10.790 1.00 0.00 N ATOM 654 CA VAL A 46 -3.471 1.673 -10.558 1.00 0.00 C ATOM 655 C VAL A 46 -3.456 2.546 -11.815 1.00 0.00 C ATOM 656 O VAL A 46 -4.490 2.742 -12.451 1.00 0.00 O ATOM 657 CB VAL A 46 -2.972 2.408 -9.313 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.650 3.773 -9.173 1.00 0.00 C ATOM 659 CG2 VAL A 46 -3.179 1.561 -8.056 1.00 0.00 C ATOM 0 H VAL A 46 -2.085 0.204 -10.002 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.508 1.401 -10.363 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.902 2.576 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.277 4.274 -8.280 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.428 4.381 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.728 3.637 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.816 2.107 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.241 1.346 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.628 0.625 -8.153 1.00 0.00 H new ATOM 669 N TYR A 47 -2.272 3.048 -12.133 1.00 0.00 N ATOM 670 CA TYR A 47 -2.109 3.896 -13.302 1.00 0.00 C ATOM 671 C TYR A 47 -2.697 3.231 -14.548 1.00 0.00 C ATOM 672 O TYR A 47 -3.531 3.820 -15.235 1.00 0.00 O ATOM 673 CB TYR A 47 -0.600 4.065 -13.493 1.00 0.00 C ATOM 674 CG TYR A 47 -0.209 4.693 -14.832 1.00 0.00 C ATOM 675 CD1 TYR A 47 -0.614 5.977 -15.136 1.00 0.00 C ATOM 676 CD2 TYR A 47 0.549 3.976 -15.736 1.00 0.00 C ATOM 677 CE1 TYR A 47 -0.246 6.568 -16.396 1.00 0.00 C ATOM 678 CE2 TYR A 47 0.917 4.568 -16.996 1.00 0.00 C ATOM 679 CZ TYR A 47 0.502 5.835 -17.264 1.00 0.00 C ATOM 680 OH TYR A 47 0.850 6.394 -18.454 1.00 0.00 O ATOM 0 H TYR A 47 -1.417 2.884 -11.602 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.622 4.847 -13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.209 4.684 -12.685 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.122 3.089 -13.407 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.207 6.538 -14.429 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.866 2.971 -15.498 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.557 7.571 -16.647 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.509 4.018 -17.712 1.00 0.00 H new ATOM 0 HH TYR A 47 1.384 5.756 -18.971 1.00 0.00 H new ATOM 690 N ASP A 48 -2.240 2.014 -14.802 1.00 0.00 N ATOM 691 CA ASP A 48 -2.711 1.263 -15.954 1.00 0.00 C ATOM 692 C ASP A 48 -4.240 1.301 -15.992 1.00 0.00 C ATOM 693 O ASP A 48 -4.830 1.689 -16.999 1.00 0.00 O ATOM 694 CB ASP A 48 -2.277 -0.202 -15.871 1.00 0.00 C ATOM 695 CG ASP A 48 -0.942 -0.520 -16.548 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.069 0.374 -16.530 1.00 0.00 O ATOM 697 OD2 ASP A 48 -0.825 -1.651 -17.068 1.00 0.00 O ATOM 0 H ASP A 48 -1.549 1.529 -14.230 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.284 1.716 -16.849 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.212 -0.487 -14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.053 -0.821 -16.322 1.00 0.00 H new ATOM 702 N ASN A 49 -4.838 0.893 -14.882 1.00 0.00 N ATOM 703 CA ASN A 49 -6.287 0.876 -14.776 1.00 0.00 C ATOM 704 C ASN A 49 -6.755 2.133 -14.041 1.00 0.00 C ATOM 705 O ASN A 49 -6.801 2.157 -12.812 1.00 0.00 O ATOM 706 CB ASN A 49 -6.767 -0.341 -13.983 1.00 0.00 C ATOM 707 CG ASN A 49 -6.796 -1.592 -14.864 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.773 -1.892 -15.530 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.673 -2.304 -14.830 1.00 0.00 N ATOM 0 H ASN A 49 -4.345 0.572 -14.049 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.698 0.835 -15.785 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.108 -0.507 -13.131 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.763 -0.150 -13.584 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.593 -3.157 -15.383 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.892 -1.997 -14.251 1.00 0.00 H new ATOM 716 N TRP A 50 -7.092 3.148 -14.824 1.00 0.00 N ATOM 717 CA TRP A 50 -7.555 4.405 -14.263 1.00 0.00 C ATOM 718 C TRP A 50 -7.735 5.398 -15.412 1.00 0.00 C ATOM 719 O TRP A 50 -6.818 6.152 -15.737 1.00 0.00 O ATOM 720 CB TRP A 50 -6.596 4.909 -13.182 1.00 0.00 C ATOM 721 CG TRP A 50 -7.056 4.613 -11.754 1.00 0.00 C ATOM 722 CD1 TRP A 50 -8.065 3.824 -11.359 1.00 0.00 C ATOM 723 CD2 TRP A 50 -6.480 5.136 -10.538 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.181 3.801 -9.984 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.187 4.624 -9.469 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.398 6.014 -10.349 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -6.889 4.931 -8.136 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.113 6.310 -9.011 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.815 5.803 -7.923 1.00 0.00 C ATOM 0 H TRP A 50 -7.053 3.125 -15.843 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.515 4.274 -13.763 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -5.617 4.455 -13.339 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.470 5.986 -13.296 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.707 3.275 -12.032 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.870 3.276 -9.445 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.832 6.427 -11.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.457 4.517 -7.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.290 6.979 -8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.533 6.081 -6.918 1.00 0.00 H new ATOM 740 N PRO A 51 -8.955 5.367 -16.013 1.00 0.00 N ATOM 741 CA PRO A 51 -9.267 6.255 -17.120 1.00 0.00 C ATOM 742 C PRO A 51 -9.509 7.683 -16.626 1.00 0.00 C ATOM 743 O PRO A 51 -10.649 8.143 -16.580 1.00 0.00 O ATOM 744 CB PRO A 51 -10.489 5.641 -17.784 1.00 0.00 C ATOM 745 CG PRO A 51 -11.092 4.698 -16.756 1.00 0.00 C ATOM 746 CD PRO A 51 -10.065 4.488 -15.656 1.00 0.00 C ATOM 0 HA PRO A 51 -8.446 6.345 -17.832 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.204 6.411 -18.075 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.212 5.104 -18.691 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.010 5.118 -16.346 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.355 3.747 -17.219 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.474 4.743 -14.678 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.746 3.447 -15.606 1.00 0.00 H new ATOM 754 N MET A 52 -8.418 8.344 -16.268 1.00 0.00 N ATOM 755 CA MET A 52 -8.497 9.710 -15.779 1.00 0.00 C ATOM 756 C MET A 52 -7.233 10.494 -16.136 1.00 0.00 C ATOM 757 O MET A 52 -6.130 9.951 -16.099 1.00 0.00 O ATOM 758 CB MET A 52 -8.679 9.699 -14.260 1.00 0.00 C ATOM 759 CG MET A 52 -9.459 10.929 -13.793 1.00 0.00 C ATOM 760 SD MET A 52 -8.551 11.776 -12.509 1.00 0.00 S ATOM 761 CE MET A 52 -9.897 12.234 -11.429 1.00 0.00 C ATOM 0 H MET A 52 -7.474 7.959 -16.307 1.00 0.00 H new ATOM 0 HA MET A 52 -9.350 10.197 -16.252 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.207 8.794 -13.960 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.704 9.676 -13.773 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.630 11.602 -14.633 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.438 10.629 -13.420 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.505 12.776 -10.568 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.597 12.871 -11.970 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.412 11.336 -11.088 1.00 0.00 H new ATOM 771 N ASP A 53 -7.435 11.759 -16.474 1.00 0.00 N ATOM 772 CA ASP A 53 -6.326 12.624 -16.838 1.00 0.00 C ATOM 773 C ASP A 53 -5.728 13.240 -15.571 1.00 0.00 C ATOM 774 O ASP A 53 -6.260 14.213 -15.039 1.00 0.00 O ATOM 775 CB ASP A 53 -6.790 13.765 -17.744 1.00 0.00 C ATOM 776 CG ASP A 53 -5.719 14.321 -18.685 1.00 0.00 C ATOM 777 OD1 ASP A 53 -5.106 13.496 -19.397 1.00 0.00 O ATOM 778 OD2 ASP A 53 -5.538 15.557 -18.671 1.00 0.00 O ATOM 0 H ASP A 53 -8.351 12.206 -16.503 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.589 12.021 -17.368 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.631 13.415 -18.342 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.160 14.578 -17.119 1.00 0.00 H new ATOM 783 N TRP A 54 -4.631 12.647 -15.124 1.00 0.00 N ATOM 784 CA TRP A 54 -3.956 13.125 -13.929 1.00 0.00 C ATOM 785 C TRP A 54 -3.681 14.619 -14.108 1.00 0.00 C ATOM 786 O TRP A 54 -2.817 15.006 -14.893 1.00 0.00 O ATOM 787 CB TRP A 54 -2.688 12.313 -13.654 1.00 0.00 C ATOM 788 CG TRP A 54 -2.951 10.842 -13.326 1.00 0.00 C ATOM 789 CD1 TRP A 54 -3.989 10.084 -13.705 1.00 0.00 C ATOM 790 CD2 TRP A 54 -2.114 9.976 -12.531 1.00 0.00 C ATOM 791 NE1 TRP A 54 -3.883 8.799 -13.215 1.00 0.00 N ATOM 792 CE2 TRP A 54 -2.706 8.731 -12.478 1.00 0.00 C ATOM 793 CE3 TRP A 54 -0.896 10.236 -11.878 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -2.154 7.647 -11.785 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -0.357 9.143 -11.189 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.941 7.883 -11.126 1.00 0.00 C ATOM 0 H TRP A 54 -4.193 11.840 -15.568 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.586 12.989 -13.050 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.036 12.369 -14.526 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.149 12.769 -12.823 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.806 10.435 -14.317 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.546 8.039 -13.366 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.415 11.202 -11.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.637 6.681 -11.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.579 9.289 -10.670 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.462 7.090 -10.571 1.00 0.00 H new ATOM 807 N GLU A 55 -4.433 15.419 -13.365 1.00 0.00 N ATOM 808 CA GLU A 55 -4.282 16.863 -13.432 1.00 0.00 C ATOM 809 C GLU A 55 -2.800 17.243 -13.399 1.00 0.00 C ATOM 810 O GLU A 55 -2.149 17.128 -12.361 1.00 0.00 O ATOM 811 CB GLU A 55 -5.049 17.547 -12.299 1.00 0.00 C ATOM 812 CG GLU A 55 -6.428 18.010 -12.772 1.00 0.00 C ATOM 813 CD GLU A 55 -7.533 17.440 -11.880 1.00 0.00 C ATOM 814 OE1 GLU A 55 -7.887 16.261 -12.097 1.00 0.00 O ATOM 815 OE2 GLU A 55 -8.000 18.197 -11.001 1.00 0.00 O ATOM 0 H GLU A 55 -5.148 15.095 -12.714 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.705 17.210 -14.374 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.160 16.857 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.480 18.402 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.473 19.099 -12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.588 17.694 -13.803 1.00 0.00 H new ATOM 822 N GLU A 56 -2.311 17.689 -14.546 1.00 0.00 N ATOM 823 CA GLU A 56 -0.918 18.087 -14.662 1.00 0.00 C ATOM 824 C GLU A 56 0.000 16.905 -14.343 1.00 0.00 C ATOM 825 O GLU A 56 0.498 16.785 -13.225 1.00 0.00 O ATOM 826 CB GLU A 56 -0.612 19.279 -13.754 1.00 0.00 C ATOM 827 CG GLU A 56 -1.134 20.582 -14.364 1.00 0.00 C ATOM 828 CD GLU A 56 -2.107 21.281 -13.412 1.00 0.00 C ATOM 829 OE1 GLU A 56 -3.250 20.786 -13.303 1.00 0.00 O ATOM 830 OE2 GLU A 56 -1.686 22.295 -12.815 1.00 0.00 O ATOM 0 H GLU A 56 -2.854 17.784 -15.404 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.733 18.398 -15.690 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.068 19.123 -12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.464 19.353 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.298 21.245 -14.586 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.633 20.371 -15.310 1.00 0.00 H new ATOM 837 N GLU A 57 0.196 16.062 -15.347 1.00 0.00 N ATOM 838 CA GLU A 57 1.046 14.894 -15.188 1.00 0.00 C ATOM 839 C GLU A 57 2.455 15.189 -15.704 1.00 0.00 C ATOM 840 O GLU A 57 2.638 16.046 -16.566 1.00 0.00 O ATOM 841 CB GLU A 57 0.445 13.679 -15.897 1.00 0.00 C ATOM 842 CG GLU A 57 1.082 12.381 -15.396 1.00 0.00 C ATOM 843 CD GLU A 57 0.365 11.159 -15.973 1.00 0.00 C ATOM 844 OE1 GLU A 57 -0.646 10.753 -15.361 1.00 0.00 O ATOM 845 OE2 GLU A 57 0.844 10.659 -17.014 1.00 0.00 O ATOM 0 H GLU A 57 -0.219 16.165 -16.273 1.00 0.00 H new ATOM 0 HA GLU A 57 1.112 14.658 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.631 13.650 -15.727 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.595 13.770 -16.973 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.135 12.356 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.043 12.349 -14.307 1.00 0.00 H new ATOM 852 N GLN A 58 3.416 14.461 -15.154 1.00 0.00 N ATOM 853 CA GLN A 58 4.804 14.634 -15.548 1.00 0.00 C ATOM 854 C GLN A 58 5.646 13.454 -15.056 1.00 0.00 C ATOM 855 O GLN A 58 6.836 13.607 -14.784 1.00 0.00 O ATOM 856 CB GLN A 58 5.361 15.960 -15.027 1.00 0.00 C ATOM 857 CG GLN A 58 4.910 16.217 -13.588 1.00 0.00 C ATOM 858 CD GLN A 58 5.470 17.541 -13.065 1.00 0.00 C ATOM 859 OE1 GLN A 58 6.647 17.673 -12.769 1.00 0.00 O ATOM 860 NE2 GLN A 58 4.566 18.511 -12.968 1.00 0.00 N ATOM 0 H GLN A 58 3.261 13.750 -14.439 1.00 0.00 H new ATOM 0 HA GLN A 58 4.852 14.661 -16.637 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.450 15.944 -15.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.027 16.776 -15.668 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.821 16.236 -13.542 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.242 15.400 -12.948 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.597 18.333 -13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.841 19.433 -12.629 1.00 0.00 H new ATOM 869 N VAL A 59 4.996 12.304 -14.958 1.00 0.00 N ATOM 870 CA VAL A 59 5.669 11.100 -14.504 1.00 0.00 C ATOM 871 C VAL A 59 5.833 10.137 -15.682 1.00 0.00 C ATOM 872 O VAL A 59 5.115 10.239 -16.676 1.00 0.00 O ATOM 873 CB VAL A 59 4.906 10.484 -13.330 1.00 0.00 C ATOM 874 CG1 VAL A 59 4.631 11.528 -12.246 1.00 0.00 C ATOM 875 CG2 VAL A 59 3.606 9.830 -13.804 1.00 0.00 C ATOM 0 H VAL A 59 4.009 12.181 -15.186 1.00 0.00 H new ATOM 0 HA VAL A 59 6.667 11.337 -14.136 1.00 0.00 H new ATOM 0 HB VAL A 59 5.533 9.706 -12.894 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.088 11.064 -11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.576 11.927 -11.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.033 12.338 -12.664 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.083 9.400 -12.950 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.973 10.580 -14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.835 9.043 -14.523 1.00 0.00 H new ATOM 885 N SER A 60 6.782 9.225 -15.532 1.00 0.00 N ATOM 886 CA SER A 60 7.048 8.245 -16.571 1.00 0.00 C ATOM 887 C SER A 60 8.039 7.197 -16.060 1.00 0.00 C ATOM 888 O SER A 60 8.847 6.675 -16.828 1.00 0.00 O ATOM 889 CB SER A 60 7.590 8.916 -17.835 1.00 0.00 C ATOM 890 OG SER A 60 6.717 8.742 -18.948 1.00 0.00 O ATOM 0 H SER A 60 7.376 9.144 -14.707 1.00 0.00 H new ATOM 0 HA SER A 60 6.109 7.754 -16.827 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.731 9.981 -17.648 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.569 8.501 -18.074 1.00 0.00 H new ATOM 0 HG SER A 60 7.097 9.186 -19.735 1.00 0.00 H new ATOM 896 N SER A 61 7.945 6.920 -14.768 1.00 0.00 N ATOM 897 CA SER A 61 8.823 5.944 -14.146 1.00 0.00 C ATOM 898 C SER A 61 8.239 5.496 -12.804 1.00 0.00 C ATOM 899 O SER A 61 7.677 6.303 -12.067 1.00 0.00 O ATOM 900 CB SER A 61 10.229 6.514 -13.949 1.00 0.00 C ATOM 901 OG SER A 61 11.092 6.192 -15.036 1.00 0.00 O ATOM 0 H SER A 61 7.274 7.355 -14.135 1.00 0.00 H new ATOM 0 HA SER A 61 8.900 5.082 -14.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.169 7.597 -13.842 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.652 6.125 -13.023 1.00 0.00 H new ATOM 0 HG SER A 61 10.597 6.262 -15.879 1.00 0.00 H new ATOM 907 N PRO A 62 8.397 4.175 -12.522 1.00 0.00 N ATOM 908 CA PRO A 62 7.893 3.609 -11.282 1.00 0.00 C ATOM 909 C PRO A 62 8.779 4.004 -10.099 1.00 0.00 C ATOM 910 O PRO A 62 8.400 3.812 -8.944 1.00 0.00 O ATOM 911 CB PRO A 62 7.854 2.109 -11.521 1.00 0.00 C ATOM 912 CG PRO A 62 8.770 1.852 -12.707 1.00 0.00 C ATOM 913 CD PRO A 62 9.057 3.188 -13.371 1.00 0.00 C ATOM 0 HA PRO A 62 6.903 3.982 -11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.193 1.564 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.839 1.773 -11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.697 1.382 -12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.298 1.168 -13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.129 3.375 -13.436 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.666 3.216 -14.388 1.00 0.00 H new ATOM 921 N ASN A 63 9.941 4.548 -10.427 1.00 0.00 N ATOM 922 CA ASN A 63 10.885 4.971 -9.406 1.00 0.00 C ATOM 923 C ASN A 63 10.386 6.266 -8.762 1.00 0.00 C ATOM 924 O ASN A 63 10.077 6.293 -7.572 1.00 0.00 O ATOM 925 CB ASN A 63 12.264 5.244 -10.009 1.00 0.00 C ATOM 926 CG ASN A 63 12.555 4.286 -11.166 1.00 0.00 C ATOM 927 OD1 ASN A 63 12.893 4.687 -12.268 1.00 0.00 O ATOM 928 ND2 ASN A 63 12.407 3.001 -10.856 1.00 0.00 N ATOM 0 H ASN A 63 10.251 4.706 -11.386 1.00 0.00 H new ATOM 0 HA ASN A 63 10.966 4.171 -8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.313 6.274 -10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 13.029 5.135 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.579 2.283 -11.560 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.122 2.733 -9.914 1.00 0.00 H new ATOM 935 N ILE A 64 10.322 7.308 -9.578 1.00 0.00 N ATOM 936 CA ILE A 64 9.865 8.604 -9.103 1.00 0.00 C ATOM 937 C ILE A 64 8.588 8.420 -8.282 1.00 0.00 C ATOM 938 O ILE A 64 8.325 9.186 -7.356 1.00 0.00 O ATOM 939 CB ILE A 64 9.710 9.578 -10.272 1.00 0.00 C ATOM 940 CG1 ILE A 64 8.750 9.022 -11.326 1.00 0.00 C ATOM 941 CG2 ILE A 64 11.071 9.939 -10.870 1.00 0.00 C ATOM 942 CD1 ILE A 64 7.905 10.139 -11.941 1.00 0.00 C ATOM 0 H ILE A 64 10.579 7.282 -10.565 1.00 0.00 H new ATOM 0 HA ILE A 64 10.607 9.051 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 64 9.271 10.500 -9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.316 8.517 -12.108 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.098 8.276 -10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 64 10.932 10.633 -11.699 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.692 10.407 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.561 9.035 -11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.231 9.717 -12.687 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.322 10.626 -11.160 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.559 10.871 -12.415 1.00 0.00 H new ATOM 954 N LEU A 65 7.827 7.399 -8.650 1.00 0.00 N ATOM 955 CA LEU A 65 6.584 7.105 -7.958 1.00 0.00 C ATOM 956 C LEU A 65 6.846 6.067 -6.865 1.00 0.00 C ATOM 957 O LEU A 65 7.279 4.952 -7.153 1.00 0.00 O ATOM 958 CB LEU A 65 5.502 6.686 -8.956 1.00 0.00 C ATOM 959 CG LEU A 65 4.939 5.274 -8.782 1.00 0.00 C ATOM 960 CD1 LEU A 65 4.178 5.147 -7.461 1.00 0.00 C ATOM 961 CD2 LEU A 65 4.076 4.876 -9.981 1.00 0.00 C ATOM 0 H LEU A 65 8.048 6.765 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 65 6.203 7.999 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.677 7.395 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.912 6.771 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 65 5.775 4.575 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.788 4.134 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.852 5.359 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.351 5.857 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.688 3.868 -9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.244 5.574 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.680 4.902 -10.888 1.00 0.00 H new ATOM 973 N ARG A 66 6.574 6.471 -5.633 1.00 0.00 N ATOM 974 CA ARG A 66 6.775 5.591 -4.495 1.00 0.00 C ATOM 975 C ARG A 66 5.448 5.339 -3.777 1.00 0.00 C ATOM 976 O ARG A 66 4.569 6.201 -3.768 1.00 0.00 O ATOM 977 CB ARG A 66 7.777 6.189 -3.505 1.00 0.00 C ATOM 978 CG ARG A 66 9.106 5.433 -3.546 1.00 0.00 C ATOM 979 CD ARG A 66 9.892 5.635 -2.248 1.00 0.00 C ATOM 980 NE ARG A 66 11.271 6.073 -2.555 1.00 0.00 N ATOM 981 CZ ARG A 66 12.164 6.447 -1.629 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.827 6.440 -0.332 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.394 6.830 -1.999 1.00 0.00 N ATOM 0 H ARG A 66 6.216 7.397 -5.398 1.00 0.00 H new ATOM 0 HA ARG A 66 7.173 4.649 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.945 7.240 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.364 6.152 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.919 4.370 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.699 5.779 -4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.396 6.379 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.915 4.706 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 66 11.560 6.091 -3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.891 6.150 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.507 6.725 0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.651 6.837 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.073 7.115 -1.293 1.00 0.00 H new ATOM 997 N LEU A 67 5.343 4.155 -3.192 1.00 0.00 N ATOM 998 CA LEU A 67 4.137 3.780 -2.473 1.00 0.00 C ATOM 999 C LEU A 67 4.408 3.834 -0.968 1.00 0.00 C ATOM 1000 O LEU A 67 5.380 3.252 -0.487 1.00 0.00 O ATOM 1001 CB LEU A 67 3.626 2.422 -2.957 1.00 0.00 C ATOM 1002 CG LEU A 67 3.202 1.436 -1.865 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.913 1.897 -1.181 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.079 0.018 -2.425 1.00 0.00 C ATOM 0 H LEU A 67 6.073 3.443 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 67 3.335 4.489 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.775 2.591 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.407 1.955 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 67 3.981 1.414 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.634 1.179 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.072 2.875 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.114 1.966 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.777 -0.663 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.331 0.004 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.041 -0.299 -2.827 1.00 0.00 H new ATOM 1016 N ILE A 68 3.532 4.538 -0.266 1.00 0.00 N ATOM 1017 CA ILE A 68 3.665 4.675 1.174 1.00 0.00 C ATOM 1018 C ILE A 68 2.697 3.713 1.866 1.00 0.00 C ATOM 1019 O ILE A 68 1.567 3.533 1.414 1.00 0.00 O ATOM 1020 CB ILE A 68 3.483 6.136 1.592 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.679 6.984 1.154 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.220 6.248 3.095 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.359 7.765 -0.122 1.00 0.00 C ATOM 0 H ILE A 68 2.728 5.019 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 68 4.671 4.399 1.491 1.00 0.00 H new ATOM 0 HB ILE A 68 2.604 6.531 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.949 7.677 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.543 6.341 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.094 7.296 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.314 5.697 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.064 5.830 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.226 8.359 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.113 7.068 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.510 8.425 0.058 1.00 0.00 H new ATOM 1035 N TYR A 69 3.175 3.120 2.950 1.00 0.00 N ATOM 1036 CA TYR A 69 2.367 2.181 3.708 1.00 0.00 C ATOM 1037 C TYR A 69 2.593 2.351 5.211 1.00 0.00 C ATOM 1038 O TYR A 69 3.715 2.205 5.694 1.00 0.00 O ATOM 1039 CB TYR A 69 2.836 0.786 3.288 1.00 0.00 C ATOM 1040 CG TYR A 69 2.194 -0.352 4.085 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.870 -0.267 4.464 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.939 -1.463 4.424 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.266 -1.338 5.214 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.336 -2.534 5.173 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.029 -2.418 5.531 1.00 0.00 C ATOM 1046 OH TYR A 69 0.458 -3.430 6.239 1.00 0.00 O ATOM 0 H TYR A 69 4.113 3.272 3.321 1.00 0.00 H new ATOM 0 HA TYR A 69 1.307 2.342 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.617 0.643 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.919 0.729 3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.287 0.602 4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.975 -1.529 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.769 -1.285 5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.908 -3.409 5.444 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.498 -3.477 6.029 1.00 0.00 H new ATOM 1056 N GLN A 70 1.509 2.658 5.910 1.00 0.00 N ATOM 1057 CA GLN A 70 1.576 2.850 7.348 1.00 0.00 C ATOM 1058 C GLN A 70 2.367 4.117 7.679 1.00 0.00 C ATOM 1059 O GLN A 70 2.653 4.388 8.844 1.00 0.00 O ATOM 1060 CB GLN A 70 2.186 1.628 8.037 1.00 0.00 C ATOM 1061 CG GLN A 70 1.095 0.717 8.606 1.00 0.00 C ATOM 1062 CD GLN A 70 1.418 0.308 10.044 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.140 0.981 10.761 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.844 -0.830 10.425 1.00 0.00 N ATOM 0 H GLN A 70 0.580 2.778 5.506 1.00 0.00 H new ATOM 0 HA GLN A 70 0.561 2.970 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.795 1.071 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.849 1.952 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.135 1.232 8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.998 -0.173 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.250 -1.345 9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.997 -1.188 11.368 1.00 0.00 H new ATOM 1073 N GLY A 71 2.697 4.860 6.633 1.00 0.00 N ATOM 1074 CA GLY A 71 3.449 6.092 6.798 1.00 0.00 C ATOM 1075 C GLY A 71 4.799 6.011 6.082 1.00 0.00 C ATOM 1076 O GLY A 71 5.225 6.970 5.441 1.00 0.00 O ATOM 0 H GLY A 71 2.457 4.632 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.874 6.929 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.607 6.286 7.859 1.00 0.00 H new ATOM 1080 N ARG A 72 5.434 4.856 6.215 1.00 0.00 N ATOM 1081 CA ARG A 72 6.727 4.636 5.589 1.00 0.00 C ATOM 1082 C ARG A 72 6.550 4.325 4.102 1.00 0.00 C ATOM 1083 O ARG A 72 5.426 4.183 3.623 1.00 0.00 O ATOM 1084 CB ARG A 72 7.474 3.482 6.259 1.00 0.00 C ATOM 1085 CG ARG A 72 6.845 2.136 5.894 1.00 0.00 C ATOM 1086 CD ARG A 72 7.660 0.976 6.471 1.00 0.00 C ATOM 1087 NE ARG A 72 6.758 -0.005 7.115 1.00 0.00 N ATOM 1088 CZ ARG A 72 6.133 0.203 8.282 1.00 0.00 C ATOM 1089 NH1 ARG A 72 6.308 1.357 8.940 1.00 0.00 N ATOM 1090 NH2 ARG A 72 5.332 -0.744 8.791 1.00 0.00 N ATOM 0 H ARG A 72 5.077 4.062 6.747 1.00 0.00 H new ATOM 0 HA ARG A 72 7.312 5.548 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.520 3.494 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.458 3.613 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.824 2.092 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.786 2.040 4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.231 0.492 5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.380 1.352 7.198 1.00 0.00 H new ATOM 0 HE ARG A 72 6.602 -0.895 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.917 2.078 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.832 1.515 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.199 -1.622 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.856 -0.586 9.679 1.00 0.00 H new ATOM 1104 N PHE A 73 7.678 4.228 3.412 1.00 0.00 N ATOM 1105 CA PHE A 73 7.661 3.936 1.989 1.00 0.00 C ATOM 1106 C PHE A 73 8.064 2.484 1.722 1.00 0.00 C ATOM 1107 O PHE A 73 8.898 1.926 2.435 1.00 0.00 O ATOM 1108 CB PHE A 73 8.683 4.865 1.330 1.00 0.00 C ATOM 1109 CG PHE A 73 8.419 6.352 1.574 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.852 6.940 2.722 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.752 7.086 0.644 1.00 0.00 C ATOM 1112 CE1 PHE A 73 8.607 8.321 2.948 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.508 8.467 0.870 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.941 9.055 2.018 1.00 0.00 C ATOM 0 H PHE A 73 8.609 4.346 3.812 1.00 0.00 H new ATOM 0 HA PHE A 73 6.658 4.086 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.677 4.617 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.689 4.679 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.382 6.357 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.408 6.619 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.950 8.788 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.979 9.050 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.756 10.105 2.190 1.00 0.00 H new ATOM 1124 N LEU A 74 7.453 1.913 0.694 1.00 0.00 N ATOM 1125 CA LEU A 74 7.738 0.537 0.325 1.00 0.00 C ATOM 1126 C LEU A 74 8.612 0.521 -0.931 1.00 0.00 C ATOM 1127 O LEU A 74 8.475 1.382 -1.798 1.00 0.00 O ATOM 1128 CB LEU A 74 6.439 -0.258 0.180 1.00 0.00 C ATOM 1129 CG LEU A 74 5.592 -0.396 1.447 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.364 -1.272 1.193 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.433 -0.914 2.616 1.00 0.00 C ATOM 0 H LEU A 74 6.762 2.378 0.105 1.00 0.00 H new ATOM 0 HA LEU A 74 8.303 0.040 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.830 0.216 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.686 -1.257 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 74 5.230 0.594 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.779 -1.354 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.752 -0.823 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.684 -2.265 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.807 -1.003 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.845 -1.891 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.248 -0.218 2.815 1.00 0.00 H new ATOM 1143 N HIS A 75 9.491 -0.469 -0.988 1.00 0.00 N ATOM 1144 CA HIS A 75 10.387 -0.608 -2.123 1.00 0.00 C ATOM 1145 C HIS A 75 9.591 -1.042 -3.356 1.00 0.00 C ATOM 1146 O HIS A 75 8.488 -1.572 -3.231 1.00 0.00 O ATOM 1147 CB HIS A 75 11.537 -1.563 -1.794 1.00 0.00 C ATOM 1148 CG HIS A 75 12.890 -1.077 -2.255 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.461 -1.475 -3.452 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.778 -0.224 -1.670 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.639 -0.881 -3.571 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.834 -0.107 -2.465 1.00 0.00 N ATOM 0 H HIS A 75 9.602 -1.182 -0.267 1.00 0.00 H new ATOM 0 HA HIS A 75 10.844 0.355 -2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.567 -1.721 -0.716 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.334 -2.531 -2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.645 0.273 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.325 -0.990 -4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.656 0.467 -2.279 1.00 0.00 H new ATOM 1160 N GLY A 76 10.182 -0.802 -4.517 1.00 0.00 N ATOM 1161 CA GLY A 76 9.541 -1.161 -5.771 1.00 0.00 C ATOM 1162 C GLY A 76 9.699 -2.655 -6.059 1.00 0.00 C ATOM 1163 O GLY A 76 8.979 -3.211 -6.887 1.00 0.00 O ATOM 0 H GLY A 76 11.098 -0.363 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.482 -0.905 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.977 -0.582 -6.585 1.00 0.00 H new ATOM 1167 N ASN A 77 10.646 -3.263 -5.359 1.00 0.00 N ATOM 1168 CA ASN A 77 10.908 -4.682 -5.530 1.00 0.00 C ATOM 1169 C ASN A 77 10.101 -5.473 -4.498 1.00 0.00 C ATOM 1170 O ASN A 77 9.901 -6.677 -4.651 1.00 0.00 O ATOM 1171 CB ASN A 77 12.389 -4.999 -5.314 1.00 0.00 C ATOM 1172 CG ASN A 77 12.967 -5.758 -6.511 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.347 -6.642 -7.076 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.188 -5.363 -6.863 1.00 0.00 N ATOM 0 H ASN A 77 11.241 -2.799 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 77 10.624 -4.957 -6.546 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.945 -4.073 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.509 -5.594 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.661 -5.808 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.651 -4.615 -6.346 1.00 0.00 H new ATOM 1181 N VAL A 78 9.660 -4.763 -3.469 1.00 0.00 N ATOM 1182 CA VAL A 78 8.879 -5.384 -2.412 1.00 0.00 C ATOM 1183 C VAL A 78 7.666 -6.086 -3.025 1.00 0.00 C ATOM 1184 O VAL A 78 7.154 -5.658 -4.059 1.00 0.00 O ATOM 1185 CB VAL A 78 8.498 -4.339 -1.361 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.285 -4.797 -0.548 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.683 -4.023 -0.448 1.00 0.00 C ATOM 0 H VAL A 78 9.829 -3.765 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 78 9.468 -6.144 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 78 8.224 -3.422 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.035 -4.037 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.436 -4.948 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.519 -5.733 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.385 -3.278 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.001 -4.932 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.508 -3.634 -1.044 1.00 0.00 H new ATOM 1197 N THR A 79 7.240 -7.151 -2.362 1.00 0.00 N ATOM 1198 CA THR A 79 6.097 -7.916 -2.828 1.00 0.00 C ATOM 1199 C THR A 79 5.185 -8.281 -1.655 1.00 0.00 C ATOM 1200 O THR A 79 5.661 -8.690 -0.598 1.00 0.00 O ATOM 1201 CB THR A 79 6.622 -9.133 -3.591 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.760 -9.549 -2.841 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.195 -8.764 -4.961 1.00 0.00 C ATOM 0 H THR A 79 7.667 -7.502 -1.505 1.00 0.00 H new ATOM 0 HA THR A 79 5.480 -7.329 -3.508 1.00 0.00 H new ATOM 0 HB THR A 79 5.816 -9.856 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.162 -10.336 -3.265 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.553 -9.664 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.418 -8.298 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.022 -8.066 -4.833 1.00 0.00 H new ATOM 1211 N LEU A 80 3.889 -8.119 -1.882 1.00 0.00 N ATOM 1212 CA LEU A 80 2.906 -8.426 -0.857 1.00 0.00 C ATOM 1213 C LEU A 80 3.323 -9.702 -0.123 1.00 0.00 C ATOM 1214 O LEU A 80 3.176 -9.799 1.095 1.00 0.00 O ATOM 1215 CB LEU A 80 1.504 -8.497 -1.464 1.00 0.00 C ATOM 1216 CG LEU A 80 0.842 -7.154 -1.781 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.468 -7.355 -2.545 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.643 -6.327 -0.509 1.00 0.00 C ATOM 0 H LEU A 80 3.498 -7.779 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 80 2.867 -7.628 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.557 -9.080 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.859 -9.044 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 80 1.510 -6.589 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.918 -6.385 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.267 -7.875 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.154 -7.948 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.171 -5.378 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.006 -6.875 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.610 -6.138 -0.043 1.00 0.00 H new ATOM 1230 N GLY A 81 3.835 -10.650 -0.894 1.00 0.00 N ATOM 1231 CA GLY A 81 4.275 -11.916 -0.332 1.00 0.00 C ATOM 1232 C GLY A 81 5.278 -11.694 0.801 1.00 0.00 C ATOM 1233 O GLY A 81 5.070 -12.161 1.920 1.00 0.00 O ATOM 0 H GLY A 81 3.955 -10.567 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.414 -12.470 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.731 -12.525 -1.112 1.00 0.00 H new ATOM 1237 N ALA A 82 6.346 -10.981 0.472 1.00 0.00 N ATOM 1238 CA ALA A 82 7.382 -10.692 1.448 1.00 0.00 C ATOM 1239 C ALA A 82 6.769 -9.933 2.627 1.00 0.00 C ATOM 1240 O ALA A 82 7.256 -10.029 3.752 1.00 0.00 O ATOM 1241 CB ALA A 82 8.513 -9.910 0.776 1.00 0.00 C ATOM 0 H ALA A 82 6.516 -10.595 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 82 7.811 -11.616 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.291 -9.693 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.934 -10.504 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.121 -8.975 0.375 1.00 0.00 H new ATOM 1247 N LEU A 83 5.709 -9.196 2.328 1.00 0.00 N ATOM 1248 CA LEU A 83 5.025 -8.422 3.349 1.00 0.00 C ATOM 1249 C LEU A 83 4.131 -9.350 4.174 1.00 0.00 C ATOM 1250 O LEU A 83 3.468 -8.908 5.111 1.00 0.00 O ATOM 1251 CB LEU A 83 4.274 -7.247 2.718 1.00 0.00 C ATOM 1252 CG LEU A 83 5.130 -6.246 1.939 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.261 -5.155 1.310 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.232 -5.661 2.824 1.00 0.00 C ATOM 0 H LEU A 83 5.308 -9.119 1.393 1.00 0.00 H new ATOM 0 HA LEU A 83 5.746 -7.978 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.514 -7.646 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.750 -6.709 3.508 1.00 0.00 H new ATOM 0 HG LEU A 83 5.620 -6.778 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.894 -4.457 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.545 -5.610 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.724 -4.620 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.825 -4.953 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.782 -5.148 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.875 -6.464 3.184 1.00 0.00 H new ATOM 1266 N LYS A 84 4.143 -10.620 3.796 1.00 0.00 N ATOM 1267 CA LYS A 84 3.342 -11.615 4.489 1.00 0.00 C ATOM 1268 C LYS A 84 2.061 -10.959 5.010 1.00 0.00 C ATOM 1269 O LYS A 84 1.671 -11.175 6.156 1.00 0.00 O ATOM 1270 CB LYS A 84 4.167 -12.303 5.578 1.00 0.00 C ATOM 1271 CG LYS A 84 4.853 -11.274 6.479 1.00 0.00 C ATOM 1272 CD LYS A 84 3.871 -10.699 7.502 1.00 0.00 C ATOM 1273 CE LYS A 84 4.613 -10.103 8.700 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.655 -9.697 9.753 1.00 0.00 N ATOM 0 H LYS A 84 4.695 -10.983 3.019 1.00 0.00 H new ATOM 0 HA LYS A 84 3.040 -12.406 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.521 -12.944 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.917 -12.947 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.691 -11.740 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.263 -10.468 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.258 -9.931 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.194 -11.483 7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.315 -10.834 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.198 -9.241 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.175 -9.295 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.002 -8.984 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.115 -10.527 10.070 1.00 0.00 H new ATOM 1288 N LEU A 85 1.443 -10.172 4.142 1.00 0.00 N ATOM 1289 CA LEU A 85 0.214 -9.483 4.500 1.00 0.00 C ATOM 1290 C LEU A 85 -0.921 -10.502 4.615 1.00 0.00 C ATOM 1291 O LEU A 85 -0.909 -11.530 3.940 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.074 -8.352 3.511 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.091 -6.938 4.097 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.021 -6.759 5.131 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.019 -5.885 2.989 1.00 0.00 C ATOM 0 H LEU A 85 1.770 -9.996 3.192 1.00 0.00 H new ATOM 0 HA LEU A 85 0.315 -9.005 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.675 -8.388 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.040 -8.542 3.043 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.039 -6.795 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.986 -5.746 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.883 -7.474 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.988 -6.929 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.033 -4.889 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.902 -6.017 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.875 -5.998 2.324 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.901 -10.173 5.499 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.042 -11.048 5.711 1.00 0.00 C ATOM 1309 C PRO A 86 -4.023 -10.965 4.540 1.00 0.00 C ATOM 1310 O PRO A 86 -4.325 -9.876 4.055 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.649 -10.591 7.028 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.112 -9.189 7.269 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.949 -8.965 6.316 1.00 0.00 C ATOM 0 HA PRO A 86 -2.761 -12.100 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.738 -10.589 6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.370 -11.262 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.892 -8.447 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.785 -9.078 8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.105 -8.078 5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.015 -8.817 6.859 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.492 -12.130 4.118 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.432 -12.203 3.013 1.00 0.00 C ATOM 1323 C PHE A 87 -6.834 -11.782 3.457 1.00 0.00 C ATOM 1324 O PHE A 87 -7.075 -11.569 4.644 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.471 -13.662 2.554 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.161 -14.156 1.939 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.459 -13.352 1.096 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.698 -15.401 2.235 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.243 -13.811 0.525 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.481 -15.859 1.663 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.780 -15.055 0.820 1.00 0.00 C ATOM 0 H PHE A 87 -4.238 -13.032 4.522 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.118 -11.533 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.721 -14.294 3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.271 -13.781 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.827 -12.364 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.255 -16.040 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.686 -13.172 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.112 -16.847 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.855 -15.404 0.385 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.723 -11.675 2.480 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.095 -11.284 2.755 1.00 0.00 C ATOM 1343 C GLY A 88 -9.144 -10.108 3.733 1.00 0.00 C ATOM 1344 O GLY A 88 -10.012 -10.056 4.603 1.00 0.00 O ATOM 0 H GLY A 88 -7.519 -11.852 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.592 -11.009 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.642 -12.130 3.171 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.201 -9.194 3.558 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.126 -8.023 4.414 1.00 0.00 C ATOM 1350 C LYS A 89 -7.930 -6.776 3.549 1.00 0.00 C ATOM 1351 O LYS A 89 -7.755 -6.879 2.336 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.044 -8.207 5.480 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.569 -9.031 6.658 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.659 -8.180 7.926 1.00 0.00 C ATOM 1355 CE LYS A 89 -8.549 -8.850 8.974 1.00 0.00 C ATOM 1356 NZ LYS A 89 -9.895 -8.236 8.979 1.00 0.00 N ATOM 0 H LYS A 89 -7.482 -9.241 2.836 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.060 -7.890 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.178 -8.703 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.708 -7.232 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.553 -9.433 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.911 -9.882 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.661 -8.026 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.058 -7.196 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.630 -9.916 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.095 -8.754 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.487 -8.702 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.814 -7.223 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.332 -8.350 8.042 1.00 0.00 H new ATOM 1370 N THR A 90 -7.967 -5.626 4.207 1.00 0.00 N ATOM 1371 CA THR A 90 -7.797 -4.361 3.513 1.00 0.00 C ATOM 1372 C THR A 90 -6.653 -3.560 4.139 1.00 0.00 C ATOM 1373 O THR A 90 -6.677 -3.267 5.334 1.00 0.00 O ATOM 1374 CB THR A 90 -9.138 -3.625 3.536 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.074 -4.596 3.075 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.212 -2.511 2.490 1.00 0.00 C ATOM 0 H THR A 90 -8.112 -5.544 5.213 1.00 0.00 H new ATOM 0 HA THR A 90 -7.513 -4.515 2.472 1.00 0.00 H new ATOM 0 HB THR A 90 -9.304 -3.204 4.527 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.972 -4.203 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.184 -2.021 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.425 -1.781 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.080 -2.937 1.495 1.00 0.00 H new ATOM 1384 N THR A 91 -5.680 -3.227 3.304 1.00 0.00 N ATOM 1385 CA THR A 91 -4.530 -2.465 3.760 1.00 0.00 C ATOM 1386 C THR A 91 -4.644 -1.007 3.312 1.00 0.00 C ATOM 1387 O THR A 91 -5.184 -0.723 2.243 1.00 0.00 O ATOM 1388 CB THR A 91 -3.268 -3.162 3.247 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.044 -4.210 4.186 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.023 -2.281 3.369 1.00 0.00 C ATOM 0 H THR A 91 -5.664 -3.471 2.314 1.00 0.00 H new ATOM 0 HA THR A 91 -4.482 -2.434 4.849 1.00 0.00 H new ATOM 0 HB THR A 91 -3.410 -3.449 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.165 -4.612 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.156 -2.823 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.163 -1.370 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.862 -2.022 4.415 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.128 -0.121 4.151 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.166 1.301 3.855 1.00 0.00 C ATOM 1400 C VAL A 92 -2.796 1.746 3.337 1.00 0.00 C ATOM 1401 O VAL A 92 -1.775 1.483 3.970 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.621 2.081 5.090 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.497 3.589 4.862 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.050 1.701 5.482 1.00 0.00 C ATOM 0 H VAL A 92 -3.681 -0.360 5.036 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.894 1.509 3.070 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.964 1.812 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.827 4.120 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.457 3.841 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.118 3.881 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.349 2.269 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.726 1.927 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.095 0.635 5.706 1.00 0.00 H new ATOM 1414 N MET A 93 -2.820 2.411 2.192 1.00 0.00 N ATOM 1415 CA MET A 93 -1.593 2.895 1.583 1.00 0.00 C ATOM 1416 C MET A 93 -1.832 4.208 0.835 1.00 0.00 C ATOM 1417 O MET A 93 -2.939 4.465 0.364 1.00 0.00 O ATOM 1418 CB MET A 93 -1.057 1.843 0.609 1.00 0.00 C ATOM 1419 CG MET A 93 -0.313 0.734 1.355 1.00 0.00 C ATOM 1420 SD MET A 93 0.301 -0.476 0.196 1.00 0.00 S ATOM 1421 CE MET A 93 0.880 -1.727 1.330 1.00 0.00 C ATOM 0 H MET A 93 -3.669 2.626 1.670 1.00 0.00 H new ATOM 0 HA MET A 93 -0.865 3.077 2.373 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.883 1.414 0.041 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.387 2.315 -0.110 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.515 1.159 1.923 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.980 0.256 2.073 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.846 -2.702 0.844 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.905 -1.504 1.625 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.243 -1.739 2.214 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.777 5.004 0.749 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.859 6.284 0.066 1.00 0.00 C ATOM 1433 C HIS A 94 -0.009 6.244 -1.205 1.00 0.00 C ATOM 1434 O HIS A 94 0.829 5.357 -1.368 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.467 7.427 1.005 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.567 7.851 1.949 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.208 6.967 2.799 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.131 9.074 2.168 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.116 7.637 3.493 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.066 8.943 3.100 1.00 0.00 N ATOM 0 H HIS A 94 0.139 4.788 1.141 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.890 6.474 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.401 7.122 1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.164 8.287 0.407 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -2.014 5.969 2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.862 9.993 1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.779 7.223 4.238 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.253 7.214 -2.073 1.00 0.00 N ATOM 1449 CA LEU A 95 0.480 7.300 -3.325 1.00 0.00 C ATOM 1450 C LEU A 95 0.978 8.734 -3.522 1.00 0.00 C ATOM 1451 O LEU A 95 0.342 9.683 -3.067 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.375 6.781 -4.483 1.00 0.00 C ATOM 1453 CG LEU A 95 0.390 6.181 -5.665 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.553 5.420 -6.598 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.186 7.257 -6.407 1.00 0.00 C ATOM 0 H LEU A 95 -0.948 7.948 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 95 1.360 6.658 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.056 6.024 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.989 7.603 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 95 1.109 5.460 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.016 5.004 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.036 4.612 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.312 6.101 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.720 6.804 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.504 8.019 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.902 7.716 -5.725 1.00 0.00 H new ATOM 1467 N VAL A 96 2.110 8.845 -4.201 1.00 0.00 N ATOM 1468 CA VAL A 96 2.701 10.146 -4.463 1.00 0.00 C ATOM 1469 C VAL A 96 3.614 10.049 -5.687 1.00 0.00 C ATOM 1470 O VAL A 96 3.931 8.952 -6.144 1.00 0.00 O ATOM 1471 CB VAL A 96 3.425 10.654 -3.215 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.456 10.796 -2.039 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.598 9.741 -2.852 1.00 0.00 C ATOM 0 H VAL A 96 2.634 8.055 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 96 1.927 10.878 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 96 3.827 11.642 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.996 11.159 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.669 11.504 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.012 9.826 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.096 10.125 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.229 8.734 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.307 9.713 -3.680 1.00 0.00 H new ATOM 1483 N ALA A 97 4.013 11.212 -6.181 1.00 0.00 N ATOM 1484 CA ALA A 97 4.884 11.272 -7.343 1.00 0.00 C ATOM 1485 C ALA A 97 6.056 12.211 -7.048 1.00 0.00 C ATOM 1486 O ALA A 97 5.894 13.431 -7.052 1.00 0.00 O ATOM 1487 CB ALA A 97 4.076 11.713 -8.565 1.00 0.00 C ATOM 0 H ALA A 97 3.749 12.120 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 97 5.298 10.288 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.729 11.758 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.275 10.997 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.648 12.698 -8.382 1.00 0.00 H new ATOM 1493 N ARG A 98 7.209 11.608 -6.800 1.00 0.00 N ATOM 1494 CA ARG A 98 8.406 12.375 -6.504 1.00 0.00 C ATOM 1495 C ARG A 98 9.580 11.437 -6.217 1.00 0.00 C ATOM 1496 O ARG A 98 9.435 10.462 -5.482 1.00 0.00 O ATOM 1497 CB ARG A 98 8.189 13.293 -5.298 1.00 0.00 C ATOM 1498 CG ARG A 98 8.913 14.627 -5.488 1.00 0.00 C ATOM 1499 CD ARG A 98 8.012 15.644 -6.192 1.00 0.00 C ATOM 1500 NE ARG A 98 8.837 16.619 -6.939 1.00 0.00 N ATOM 1501 CZ ARG A 98 9.590 17.565 -6.360 1.00 0.00 C ATOM 1502 NH1 ARG A 98 9.627 17.669 -5.025 1.00 0.00 N ATOM 1503 NH2 ARG A 98 10.307 18.407 -7.118 1.00 0.00 N ATOM 0 H ARG A 98 7.339 10.596 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 98 8.631 12.988 -7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.123 13.470 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.552 12.804 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.222 15.019 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.820 14.473 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.334 15.131 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.394 16.164 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 98 8.833 16.568 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.082 17.028 -4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.200 18.389 -4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.279 18.328 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.880 19.127 -6.678 1.00 0.00 H new ATOM 1517 N GLU A 99 10.718 11.765 -6.812 1.00 0.00 N ATOM 1518 CA GLU A 99 11.916 10.964 -6.630 1.00 0.00 C ATOM 1519 C GLU A 99 12.682 11.429 -5.389 1.00 0.00 C ATOM 1520 O GLU A 99 13.496 10.686 -4.843 1.00 0.00 O ATOM 1521 CB GLU A 99 12.805 11.016 -7.874 1.00 0.00 C ATOM 1522 CG GLU A 99 13.365 12.423 -8.089 1.00 0.00 C ATOM 1523 CD GLU A 99 12.602 13.154 -9.196 1.00 0.00 C ATOM 1524 OE1 GLU A 99 12.752 12.732 -10.363 1.00 0.00 O ATOM 1525 OE2 GLU A 99 11.886 14.119 -8.849 1.00 0.00 O ATOM 0 H GLU A 99 10.835 12.575 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 99 11.616 9.927 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.626 10.306 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.231 10.712 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.298 12.990 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.422 12.362 -8.350 1.00 0.00 H new ATOM 1532 N THR A 100 12.393 12.656 -4.980 1.00 0.00 N ATOM 1533 CA THR A 100 13.045 13.228 -3.815 1.00 0.00 C ATOM 1534 C THR A 100 14.565 13.204 -3.987 1.00 0.00 C ATOM 1535 O THR A 100 15.085 12.487 -4.841 1.00 0.00 O ATOM 1536 CB THR A 100 12.560 12.465 -2.580 1.00 0.00 C ATOM 1537 OG1 THR A 100 13.591 11.513 -2.334 1.00 0.00 O ATOM 1538 CG2 THR A 100 11.324 11.611 -2.867 1.00 0.00 C ATOM 0 H THR A 100 11.716 13.269 -5.435 1.00 0.00 H new ATOM 0 HA THR A 100 12.782 14.278 -3.690 1.00 0.00 H new ATOM 0 HB THR A 100 12.334 13.172 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.726 10.963 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.022 11.091 -1.958 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.510 12.252 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.558 10.881 -3.642 1.00 0.00 H new ATOM 1546 N LEU A 101 15.234 13.995 -3.162 1.00 0.00 N ATOM 1547 CA LEU A 101 16.685 14.072 -3.212 1.00 0.00 C ATOM 1548 C LEU A 101 17.274 12.683 -2.961 1.00 0.00 C ATOM 1549 O LEU A 101 16.650 11.848 -2.309 1.00 0.00 O ATOM 1550 CB LEU A 101 17.198 15.142 -2.245 1.00 0.00 C ATOM 1551 CG LEU A 101 16.597 16.539 -2.411 1.00 0.00 C ATOM 1552 CD1 LEU A 101 16.906 17.417 -1.196 1.00 0.00 C ATOM 1553 CD2 LEU A 101 17.064 17.185 -3.718 1.00 0.00 C ATOM 0 H LEU A 101 14.799 14.588 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 101 17.016 14.385 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 101 17.007 14.805 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 101 18.279 15.217 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 101 15.513 16.440 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 101 16.467 18.404 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 101 16.485 16.960 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.986 17.513 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.622 18.177 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.151 17.270 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.752 16.568 -4.561 1.00 0.00 H new ATOM 1565 N PRO A 102 18.503 12.473 -3.506 1.00 0.00 N ATOM 1566 CA PRO A 102 19.184 11.200 -3.348 1.00 0.00 C ATOM 1567 C PRO A 102 19.748 11.051 -1.933 1.00 0.00 C ATOM 1568 O PRO A 102 20.654 11.785 -1.543 1.00 0.00 O ATOM 1569 CB PRO A 102 20.261 11.194 -4.420 1.00 0.00 C ATOM 1570 CG PRO A 102 20.447 12.645 -4.832 1.00 0.00 C ATOM 1571 CD PRO A 102 19.273 13.440 -4.284 1.00 0.00 C ATOM 0 HA PRO A 102 18.515 10.348 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 102 21.191 10.775 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.962 10.582 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 102 21.387 13.035 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.492 12.731 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.611 14.269 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.675 13.868 -5.088 1.00 0.00 H new ATOM 1579 N GLU A 103 19.188 10.097 -1.205 1.00 0.00 N ATOM 1580 CA GLU A 103 19.624 9.843 0.158 1.00 0.00 C ATOM 1581 C GLU A 103 21.150 9.745 0.218 1.00 0.00 C ATOM 1582 O GLU A 103 21.798 9.472 -0.792 1.00 0.00 O ATOM 1583 CB GLU A 103 18.971 8.577 0.716 1.00 0.00 C ATOM 1584 CG GLU A 103 17.473 8.788 0.946 1.00 0.00 C ATOM 1585 CD GLU A 103 16.673 8.468 -0.319 1.00 0.00 C ATOM 1586 OE1 GLU A 103 17.000 7.441 -0.951 1.00 0.00 O ATOM 1587 OE2 GLU A 103 15.754 9.258 -0.624 1.00 0.00 O ATOM 0 H GLU A 103 18.436 9.490 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 103 19.308 10.680 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.123 7.749 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.451 8.299 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 103 17.134 8.153 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 103 17.289 9.820 1.245 1.00 0.00 H new ATOM 1594 N PRO A 104 21.693 9.978 1.442 1.00 0.00 N ATOM 1595 CA PRO A 104 23.130 9.918 1.647 1.00 0.00 C ATOM 1596 C PRO A 104 23.622 8.469 1.666 1.00 0.00 C ATOM 1597 O PRO A 104 24.775 8.197 1.335 1.00 0.00 O ATOM 1598 CB PRO A 104 23.371 10.645 2.960 1.00 0.00 C ATOM 1599 CG PRO A 104 22.028 10.677 3.671 1.00 0.00 C ATOM 1600 CD PRO A 104 20.957 10.303 2.660 1.00 0.00 C ATOM 0 HA PRO A 104 23.690 10.388 0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.119 10.128 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 104 23.744 11.654 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.023 9.979 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 104 21.837 11.669 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.367 9.454 3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.263 11.127 2.495 1.00 0.00 H new ATOM 1608 N ASN A 105 22.723 7.578 2.059 1.00 0.00 N ATOM 1609 CA ASN A 105 23.051 6.164 2.126 1.00 0.00 C ATOM 1610 C ASN A 105 24.189 5.956 3.126 1.00 0.00 C ATOM 1611 O ASN A 105 25.355 6.174 2.799 1.00 0.00 O ATOM 1612 CB ASN A 105 23.515 5.642 0.765 1.00 0.00 C ATOM 1613 CG ASN A 105 22.801 4.338 0.405 1.00 0.00 C ATOM 1614 OD1 ASN A 105 21.584 4.245 0.408 1.00 0.00 O ATOM 1615 ND2 ASN A 105 23.622 3.338 0.097 1.00 0.00 N ATOM 0 H ASN A 105 21.768 7.808 2.334 1.00 0.00 H new ATOM 0 HA ASN A 105 22.156 5.624 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 105 23.319 6.392 -0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 105 24.592 5.478 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 105 23.242 2.426 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 105 24.631 3.483 0.114 1.00 0.00 H new ATOM 1622 N SER A 106 23.812 5.537 4.325 1.00 0.00 N ATOM 1623 CA SER A 106 24.787 5.297 5.375 1.00 0.00 C ATOM 1624 C SER A 106 24.090 4.744 6.620 1.00 0.00 C ATOM 1625 O SER A 106 23.202 5.389 7.176 1.00 0.00 O ATOM 1626 CB SER A 106 25.552 6.576 5.719 1.00 0.00 C ATOM 1627 OG SER A 106 26.772 6.301 6.402 1.00 0.00 O ATOM 0 H SER A 106 22.844 5.358 4.593 1.00 0.00 H new ATOM 0 HA SER A 106 25.506 4.562 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 106 25.765 7.128 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.926 7.217 6.339 1.00 0.00 H new ATOM 0 HG SER A 106 27.232 7.143 6.602 1.00 0.00 H new ATOM 1633 N GLN A 107 24.518 3.557 7.021 1.00 0.00 N ATOM 1634 CA GLN A 107 23.947 2.910 8.190 1.00 0.00 C ATOM 1635 C GLN A 107 25.049 2.266 9.033 1.00 0.00 C ATOM 1636 O GLN A 107 25.388 1.101 8.832 1.00 0.00 O ATOM 1637 CB GLN A 107 22.892 1.878 7.785 1.00 0.00 C ATOM 1638 CG GLN A 107 21.664 1.963 8.694 1.00 0.00 C ATOM 1639 CD GLN A 107 21.565 0.733 9.598 1.00 0.00 C ATOM 1640 OE1 GLN A 107 21.865 -0.383 9.206 1.00 0.00 O ATOM 1641 NE2 GLN A 107 21.129 0.998 10.826 1.00 0.00 N ATOM 0 H GLN A 107 25.254 3.025 6.557 1.00 0.00 H new ATOM 0 HA GLN A 107 23.452 3.669 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.595 2.044 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 107 23.319 0.876 7.837 1.00 0.00 H new ATOM 0 HG2 GLN A 107 21.721 2.864 9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 107 20.763 2.046 8.087 1.00 0.00 H new ATOM 0 HE21 GLN A 107 20.895 1.955 11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 107 21.028 0.244 11.505 1.00 0.00 H new ATOM 1650 N GLY A 108 25.578 3.053 9.959 1.00 0.00 N ATOM 1651 CA GLY A 108 26.635 2.574 10.833 1.00 0.00 C ATOM 1652 C GLY A 108 26.982 3.617 11.897 1.00 0.00 C ATOM 1653 O GLY A 108 27.532 4.671 11.581 1.00 0.00 O ATOM 0 H GLY A 108 25.294 4.019 10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.321 1.648 11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.522 2.342 10.243 1.00 0.00 H new ATOM 1657 N GLN A 109 26.646 3.288 13.135 1.00 0.00 N ATOM 1658 CA GLN A 109 26.915 4.183 14.247 1.00 0.00 C ATOM 1659 C GLN A 109 27.800 3.490 15.285 1.00 0.00 C ATOM 1660 O GLN A 109 27.514 2.367 15.699 1.00 0.00 O ATOM 1661 CB GLN A 109 25.614 4.679 14.879 1.00 0.00 C ATOM 1662 CG GLN A 109 25.560 6.208 14.896 1.00 0.00 C ATOM 1663 CD GLN A 109 24.326 6.705 15.652 1.00 0.00 C ATOM 1664 OE1 GLN A 109 23.922 6.155 16.664 1.00 0.00 O ATOM 1665 NE2 GLN A 109 23.751 7.773 15.107 1.00 0.00 N ATOM 0 H GLN A 109 26.189 2.413 13.393 1.00 0.00 H new ATOM 0 HA GLN A 109 27.450 5.053 13.866 1.00 0.00 H new ATOM 0 HB2 GLN A 109 24.763 4.288 14.322 1.00 0.00 H new ATOM 0 HB3 GLN A 109 25.531 4.297 15.897 1.00 0.00 H new ATOM 0 HG2 GLN A 109 26.461 6.602 15.365 1.00 0.00 H new ATOM 0 HG3 GLN A 109 25.541 6.586 13.874 1.00 0.00 H new ATOM 0 HE21 GLN A 109 24.140 8.185 14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 109 22.921 8.181 15.537 1.00 0.00 H new ATOM 1674 N ARG A 110 28.857 4.187 15.676 1.00 0.00 N ATOM 1675 CA ARG A 110 29.784 3.652 16.658 1.00 0.00 C ATOM 1676 C ARG A 110 30.114 4.713 17.710 1.00 0.00 C ATOM 1677 O ARG A 110 30.618 5.785 17.378 1.00 0.00 O ATOM 1678 CB ARG A 110 31.080 3.183 15.993 1.00 0.00 C ATOM 1679 CG ARG A 110 31.652 1.958 16.710 1.00 0.00 C ATOM 1680 CD ARG A 110 33.067 2.233 17.221 1.00 0.00 C ATOM 1681 NE ARG A 110 33.345 1.401 18.413 1.00 0.00 N ATOM 1682 CZ ARG A 110 34.507 1.410 19.082 1.00 0.00 C ATOM 1683 NH1 ARG A 110 35.505 2.209 18.679 1.00 0.00 N ATOM 1684 NH2 ARG A 110 34.670 0.621 20.153 1.00 0.00 N ATOM 0 H ARG A 110 29.092 5.117 15.330 1.00 0.00 H new ATOM 0 HA ARG A 110 29.304 2.798 17.136 1.00 0.00 H new ATOM 0 HB2 ARG A 110 30.889 2.941 14.947 1.00 0.00 H new ATOM 0 HB3 ARG A 110 31.812 3.991 16.005 1.00 0.00 H new ATOM 0 HG2 ARG A 110 31.006 1.687 17.545 1.00 0.00 H new ATOM 0 HG3 ARG A 110 31.666 1.107 16.029 1.00 0.00 H new ATOM 0 HD2 ARG A 110 33.794 2.016 16.438 1.00 0.00 H new ATOM 0 HD3 ARG A 110 33.174 3.289 17.471 1.00 0.00 H new ATOM 0 HE ARG A 110 32.606 0.782 18.747 1.00 0.00 H new ATOM 0 HH11 ARG A 110 35.380 2.810 17.864 1.00 0.00 H new ATOM 0 HH12 ARG A 110 36.389 2.216 19.187 1.00 0.00 H new ATOM 0 HH21 ARG A 110 33.910 0.014 20.459 1.00 0.00 H new ATOM 0 HH22 ARG A 110 35.554 0.628 20.662 1.00 0.00 H new ATOM 1698 N SER A 111 29.817 4.378 18.957 1.00 0.00 N ATOM 1699 CA SER A 111 30.076 5.288 20.059 1.00 0.00 C ATOM 1700 C SER A 111 29.168 6.515 19.948 1.00 0.00 C ATOM 1701 O SER A 111 28.236 6.675 20.734 1.00 0.00 O ATOM 1702 CB SER A 111 31.545 5.716 20.087 1.00 0.00 C ATOM 1703 OG SER A 111 32.201 5.294 21.280 1.00 0.00 O ATOM 0 H SER A 111 29.399 3.488 19.228 1.00 0.00 H new ATOM 0 HA SER A 111 29.860 4.766 20.991 1.00 0.00 H new ATOM 0 HB2 SER A 111 32.061 5.298 19.222 1.00 0.00 H new ATOM 0 HB3 SER A 111 31.608 6.801 20.003 1.00 0.00 H new ATOM 0 HG SER A 111 33.137 5.585 21.259 1.00 0.00 H new ATOM 1709 N GLY A 112 29.473 7.350 18.966 1.00 0.00 N ATOM 1710 CA GLY A 112 28.697 8.558 18.742 1.00 0.00 C ATOM 1711 C GLY A 112 29.219 9.712 19.600 1.00 0.00 C ATOM 1712 O GLY A 112 29.926 9.491 20.582 1.00 0.00 O ATOM 0 H GLY A 112 30.247 7.214 18.316 1.00 0.00 H new ATOM 0 HA2 GLY A 112 28.743 8.834 17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 112 27.649 8.370 18.977 1.00 0.00 H new ATOM 1716 N PRO A 113 28.840 10.952 19.188 1.00 0.00 N ATOM 1717 CA PRO A 113 29.262 12.141 19.908 1.00 0.00 C ATOM 1718 C PRO A 113 28.480 12.298 21.214 1.00 0.00 C ATOM 1719 O PRO A 113 27.250 12.285 21.210 1.00 0.00 O ATOM 1720 CB PRO A 113 29.034 13.289 18.938 1.00 0.00 C ATOM 1721 CG PRO A 113 28.066 12.765 17.891 1.00 0.00 C ATOM 1722 CD PRO A 113 28.002 11.252 18.031 1.00 0.00 C ATOM 0 HA PRO A 113 30.307 12.098 20.216 1.00 0.00 H new ATOM 0 HB2 PRO A 113 28.621 14.158 19.451 1.00 0.00 H new ATOM 0 HB3 PRO A 113 29.971 13.605 18.480 1.00 0.00 H new ATOM 0 HG2 PRO A 113 27.078 13.203 18.031 1.00 0.00 H new ATOM 0 HG3 PRO A 113 28.399 13.042 16.891 1.00 0.00 H new ATOM 0 HD2 PRO A 113 26.978 10.911 18.185 1.00 0.00 H new ATOM 0 HD3 PRO A 113 28.372 10.755 17.134 1.00 0.00 H new ATOM 1730 N SER A 114 29.226 12.443 22.299 1.00 0.00 N ATOM 1731 CA SER A 114 28.618 12.602 23.609 1.00 0.00 C ATOM 1732 C SER A 114 29.698 12.871 24.658 1.00 0.00 C ATOM 1733 O SER A 114 30.740 12.217 24.663 1.00 0.00 O ATOM 1734 CB SER A 114 27.802 11.366 23.992 1.00 0.00 C ATOM 1735 OG SER A 114 28.625 10.214 24.157 1.00 0.00 O ATOM 0 H SER A 114 30.246 12.454 22.298 1.00 0.00 H new ATOM 0 HA SER A 114 27.939 13.454 23.569 1.00 0.00 H new ATOM 0 HB2 SER A 114 27.261 11.561 24.918 1.00 0.00 H new ATOM 0 HB3 SER A 114 27.056 11.171 23.222 1.00 0.00 H new ATOM 0 HG SER A 114 28.068 9.446 24.403 1.00 0.00 H new ATOM 1741 N SER A 115 29.413 13.835 25.522 1.00 0.00 N ATOM 1742 CA SER A 115 30.348 14.198 26.573 1.00 0.00 C ATOM 1743 C SER A 115 29.762 15.323 27.428 1.00 0.00 C ATOM 1744 O SER A 115 28.943 16.108 26.952 1.00 0.00 O ATOM 1745 CB SER A 115 31.697 14.624 25.989 1.00 0.00 C ATOM 1746 OG SER A 115 31.565 15.712 25.079 1.00 0.00 O ATOM 0 H SER A 115 28.548 14.375 25.515 1.00 0.00 H new ATOM 0 HA SER A 115 30.515 13.322 27.199 1.00 0.00 H new ATOM 0 HB2 SER A 115 32.369 14.908 26.799 1.00 0.00 H new ATOM 0 HB3 SER A 115 32.154 13.777 25.478 1.00 0.00 H new ATOM 0 HG SER A 115 32.448 15.955 24.730 1.00 0.00 H new ATOM 1752 N GLY A 116 30.204 15.367 28.677 1.00 0.00 N ATOM 1753 CA GLY A 116 29.734 16.383 29.603 1.00 0.00 C ATOM 1754 C GLY A 116 30.207 17.774 29.177 1.00 0.00 C ATOM 1755 O GLY A 116 31.144 18.319 29.758 1.00 0.00 O ATOM 0 H GLY A 116 30.883 14.715 29.069 1.00 0.00 H new ATOM 0 HA2 GLY A 116 28.645 16.363 29.648 1.00 0.00 H new ATOM 0 HA3 GLY A 116 30.099 16.162 30.606 1.00 0.00 H new TER 1759 GLY A 116