USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1110 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 69 GLN : amide:sc= 0.0771 X(o=-3.4,f=-3.5) USER MOD Set 1.2: A 103 MET CE :methyl -179:sc= -3.49! (180deg=-3.5!) USER MOD Set 2.1: A 31 TYR OH : rot 130:sc= 1.21 USER MOD Set 2.2: A 55 SER OG : rot 80:sc= 2 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 10 GLN : amide:sc= 1.68 K(o=1.7,f=-4.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 1.08 (180deg=1.01) USER MOD Single : A 24 SER OG : rot -11:sc= 0.648 USER MOD Single : A 27 CYS SG : rot -76:sc= 0.575 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -32:sc= 0.8 USER MOD Single : A 39 HIS : no HE2:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 43 GLN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 47 GLN : amide:sc= -3.86! C(o=-3.9!,f=-9.4!) USER MOD Single : A 48 ASN : amide:sc= 0.999 K(o=1,f=-2.4!) USER MOD Single : A 50 CYS SG : rot 36:sc= -3.77! USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.379 K(o=-0.38,f=-7.6!) USER MOD Single : A 67 SER OG : rot -39:sc= 1.34 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.135 K(o=0.13,f=-2) USER MOD Single : A 79 GLN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.803 K(o=-0.8,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 20:sc= -0.0887 USER MOD Single : A 96 LYS NZ :NH3+ 137:sc= 0.717 (180deg=0.055) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.49 K(o=-0.49,f=-1.3) USER MOD Single : A 109 CYS SG : rot 120:sc= -2.2 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HE2:sc= -0.919 K(o=-0.92,f=-2.2!) USER MOD Single : A 124 MET CE :methyl -159:sc= -0.149 (180deg=-1.04) USER MOD Single : A 126 CYS SG : rot 85:sc= 0.11 USER MOD Single : A 135 GLN : amide:sc= 0.357 X(o=0.36,f=-0.00019) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 4 -19.577 3.213 -8.879 1.00 1.00 N ATOM 37 CA PRO A 4 -18.335 2.525 -8.567 1.00 1.00 C ATOM 38 C PRO A 4 -17.425 3.425 -7.716 1.00 1.00 C ATOM 39 O PRO A 4 -17.825 4.508 -7.288 1.00 1.00 O ATOM 40 CB PRO A 4 -17.729 2.147 -9.918 1.00 1.00 C ATOM 41 CG PRO A 4 -18.253 3.227 -10.858 1.00 1.00 C ATOM 42 CD PRO A 4 -19.634 3.553 -10.293 1.00 1.00 C ATOM 0 HA PRO A 4 -18.483 1.629 -7.965 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -16.640 2.141 -9.882 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -18.043 1.152 -10.235 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -17.605 4.103 -10.864 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -18.314 2.869 -11.886 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -19.874 4.607 -10.432 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -20.409 2.980 -10.802 1.00 1.00 H new ATOM 50 N ARG A 5 -16.213 2.929 -7.442 1.00 1.00 N ATOM 51 CA ARG A 5 -15.252 3.313 -6.404 1.00 1.00 C ATOM 52 C ARG A 5 -15.568 2.577 -5.113 1.00 1.00 C ATOM 53 O ARG A 5 -14.654 2.328 -4.341 1.00 1.00 O ATOM 54 CB ARG A 5 -15.127 4.830 -6.151 1.00 1.00 C ATOM 55 CG ARG A 5 -13.657 5.270 -6.064 1.00 1.00 C ATOM 56 CD ARG A 5 -13.060 5.502 -7.459 1.00 1.00 C ATOM 57 NE ARG A 5 -13.690 6.667 -8.099 1.00 1.00 N ATOM 58 CZ ARG A 5 -13.281 7.938 -8.031 1.00 1.00 C ATOM 59 NH1 ARG A 5 -12.046 8.272 -7.673 1.00 1.00 N ATOM 60 NH2 ARG A 5 -14.135 8.902 -8.328 1.00 1.00 N ATOM 0 H ARG A 5 -15.842 2.164 -8.005 1.00 1.00 H new ATOM 0 HA ARG A 5 -14.275 3.017 -6.786 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -15.624 5.375 -6.953 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -15.640 5.088 -5.225 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -13.584 6.186 -5.478 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -13.078 4.509 -5.540 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -11.984 5.660 -7.380 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -13.207 4.616 -8.077 1.00 1.00 H new ATOM 0 HE ARG A 5 -14.527 6.486 -8.653 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -11.369 7.546 -7.437 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -11.774 9.254 -7.634 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -15.089 8.671 -8.604 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -13.840 9.877 -8.281 1.00 1.00 H new ATOM 74 N VAL A 6 -16.803 2.123 -4.933 1.00 1.00 N ATOM 75 CA VAL A 6 -17.206 1.260 -3.835 1.00 1.00 C ATOM 76 C VAL A 6 -17.999 0.087 -4.394 1.00 1.00 C ATOM 77 O VAL A 6 -18.341 0.067 -5.581 1.00 1.00 O ATOM 78 CB VAL A 6 -17.971 2.061 -2.763 1.00 1.00 C ATOM 79 CG1 VAL A 6 -17.086 3.191 -2.234 1.00 1.00 C ATOM 80 CG2 VAL A 6 -19.304 2.638 -3.258 1.00 1.00 C ATOM 0 H VAL A 6 -17.570 2.353 -5.565 1.00 1.00 H new ATOM 0 HA VAL A 6 -16.330 0.854 -3.329 1.00 1.00 H new ATOM 0 HB VAL A 6 -18.215 1.357 -1.968 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -17.630 3.755 -1.476 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -16.182 2.770 -1.793 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -16.814 3.855 -3.055 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -19.785 3.188 -2.449 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -19.121 3.311 -4.096 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -19.955 1.825 -3.581 1.00 1.00 H new ATOM 90 N VAL A 7 -18.275 -0.897 -3.549 1.00 1.00 N ATOM 91 CA VAL A 7 -19.285 -1.922 -3.775 1.00 1.00 C ATOM 92 C VAL A 7 -20.149 -2.033 -2.521 1.00 1.00 C ATOM 93 O VAL A 7 -19.681 -1.629 -1.451 1.00 1.00 O ATOM 94 CB VAL A 7 -18.636 -3.278 -4.104 1.00 1.00 C ATOM 95 CG1 VAL A 7 -17.940 -3.214 -5.459 1.00 1.00 C ATOM 96 CG2 VAL A 7 -17.628 -3.773 -3.051 1.00 1.00 C ATOM 0 H VAL A 7 -17.787 -1.007 -2.660 1.00 1.00 H new ATOM 0 HA VAL A 7 -19.901 -1.642 -4.630 1.00 1.00 H new ATOM 0 HB VAL A 7 -19.457 -3.995 -4.115 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -17.485 -4.179 -5.680 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -18.670 -2.971 -6.232 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -17.167 -2.446 -5.435 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -17.219 -4.734 -3.362 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -16.819 -3.049 -2.953 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -18.131 -3.887 -2.091 1.00 1.00 H new ATOM 106 N PRO A 8 -21.359 -2.607 -2.607 1.00 1.00 N ATOM 107 CA PRO A 8 -22.076 -3.053 -1.428 1.00 1.00 C ATOM 108 C PRO A 8 -21.244 -4.122 -0.717 1.00 1.00 C ATOM 109 O PRO A 8 -20.516 -4.883 -1.369 1.00 1.00 O ATOM 110 CB PRO A 8 -23.408 -3.629 -1.927 1.00 1.00 C ATOM 111 CG PRO A 8 -23.517 -3.149 -3.374 1.00 1.00 C ATOM 112 CD PRO A 8 -22.056 -3.050 -3.798 1.00 1.00 C ATOM 0 HA PRO A 8 -22.255 -2.245 -0.718 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -23.416 -4.717 -1.869 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -24.244 -3.271 -1.327 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -24.073 -3.852 -3.994 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -24.027 -2.188 -3.446 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -21.678 -4.012 -4.144 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -21.928 -2.343 -4.618 1.00 1.00 H new ATOM 120 N ASP A 9 -21.421 -4.199 0.600 1.00 1.00 N ATOM 121 CA ASP A 9 -20.798 -5.137 1.523 1.00 1.00 C ATOM 122 C ASP A 9 -19.305 -5.325 1.258 1.00 1.00 C ATOM 123 O ASP A 9 -18.809 -6.439 1.051 1.00 1.00 O ATOM 124 CB ASP A 9 -21.565 -6.457 1.516 1.00 1.00 C ATOM 125 CG ASP A 9 -21.337 -7.309 2.756 1.00 1.00 C ATOM 126 OD1 ASP A 9 -20.411 -7.027 3.550 1.00 1.00 O ATOM 127 OD2 ASP A 9 -22.123 -8.276 2.909 1.00 1.00 O ATOM 0 H ASP A 9 -22.051 -3.558 1.083 1.00 1.00 H new ATOM 0 HA ASP A 9 -20.856 -4.713 2.525 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -22.630 -6.246 1.423 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -21.275 -7.030 0.635 1.00 1.00 H new ATOM 132 N GLN A 10 -18.554 -4.220 1.292 1.00 1.00 N ATOM 133 CA GLN A 10 -17.116 -4.241 1.177 1.00 1.00 C ATOM 134 C GLN A 10 -16.455 -5.278 2.086 1.00 1.00 C ATOM 135 O GLN A 10 -15.480 -5.895 1.675 1.00 1.00 O ATOM 136 CB GLN A 10 -16.605 -2.850 1.526 1.00 1.00 C ATOM 137 CG GLN A 10 -17.052 -1.778 0.521 1.00 1.00 C ATOM 138 CD GLN A 10 -18.160 -0.871 1.044 1.00 1.00 C ATOM 139 OE1 GLN A 10 -19.142 -1.356 1.600 1.00 1.00 O ATOM 140 NE2 GLN A 10 -18.002 0.438 0.908 1.00 1.00 N ATOM 0 H GLN A 10 -18.943 -3.284 1.402 1.00 1.00 H new ATOM 0 HA GLN A 10 -16.858 -4.524 0.156 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -16.958 -2.578 2.521 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -15.516 -2.869 1.569 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -16.192 -1.166 0.249 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -17.395 -2.268 -0.390 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -17.173 0.806 0.440 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -18.709 1.077 1.271 1.00 1.00 H new ATOM 149 N ARG A 11 -16.951 -5.487 3.308 1.00 1.00 N ATOM 150 CA ARG A 11 -16.350 -6.456 4.227 1.00 1.00 C ATOM 151 C ARG A 11 -16.626 -7.906 3.831 1.00 1.00 C ATOM 152 O ARG A 11 -15.827 -8.762 4.204 1.00 1.00 O ATOM 153 CB ARG A 11 -16.786 -6.199 5.679 1.00 1.00 C ATOM 154 CG ARG A 11 -15.743 -6.609 6.744 1.00 1.00 C ATOM 155 CD ARG A 11 -14.415 -5.846 6.615 1.00 1.00 C ATOM 156 NE ARG A 11 -13.562 -5.933 7.817 1.00 1.00 N ATOM 157 CZ ARG A 11 -13.651 -5.171 8.915 1.00 1.00 C ATOM 158 NH1 ARG A 11 -14.682 -4.356 9.113 1.00 1.00 N ATOM 159 NH2 ARG A 11 -12.677 -5.217 9.812 1.00 1.00 N ATOM 0 H ARG A 11 -17.765 -5.000 3.683 1.00 1.00 H new ATOM 0 HA ARG A 11 -15.272 -6.308 4.156 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -17.008 -5.138 5.796 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -17.712 -6.741 5.868 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -16.159 -6.436 7.736 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -15.550 -7.679 6.661 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -13.863 -6.236 5.760 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -14.627 -4.798 6.406 1.00 1.00 H new ATOM 0 HE ARG A 11 -12.832 -6.645 7.811 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -15.429 -4.301 8.420 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -14.727 -3.786 9.958 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -11.873 -5.827 9.661 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -12.731 -4.642 10.653 1.00 1.00 H new ATOM 173 N SER A 12 -17.687 -8.223 3.083 1.00 1.00 N ATOM 174 CA SER A 12 -17.806 -9.557 2.501 1.00 1.00 C ATOM 175 C SER A 12 -16.953 -9.637 1.239 1.00 1.00 C ATOM 176 O SER A 12 -16.309 -10.658 0.984 1.00 1.00 O ATOM 177 CB SER A 12 -19.282 -9.837 2.226 1.00 1.00 C ATOM 178 OG SER A 12 -19.530 -11.158 1.786 1.00 1.00 O ATOM 0 H SER A 12 -18.458 -7.589 2.871 1.00 1.00 H new ATOM 0 HA SER A 12 -17.439 -10.321 3.187 1.00 1.00 H new ATOM 0 HB2 SER A 12 -19.855 -9.651 3.134 1.00 1.00 H new ATOM 0 HB3 SER A 12 -19.643 -9.137 1.472 1.00 1.00 H new ATOM 0 HG SER A 12 -20.490 -11.276 1.629 1.00 1.00 H new ATOM 184 N LYS A 13 -16.881 -8.559 0.452 1.00 1.00 N ATOM 185 CA LYS A 13 -16.012 -8.526 -0.717 1.00 1.00 C ATOM 186 C LYS A 13 -14.535 -8.601 -0.325 1.00 1.00 C ATOM 187 O LYS A 13 -13.749 -9.124 -1.101 1.00 1.00 O ATOM 188 CB LYS A 13 -16.322 -7.288 -1.557 1.00 1.00 C ATOM 189 CG LYS A 13 -15.742 -7.380 -2.976 1.00 1.00 C ATOM 190 CD LYS A 13 -16.655 -8.212 -3.880 1.00 1.00 C ATOM 191 CE LYS A 13 -15.905 -8.794 -5.081 1.00 1.00 C ATOM 192 NZ LYS A 13 -16.845 -9.251 -6.116 1.00 1.00 N ATOM 0 H LYS A 13 -17.414 -7.703 0.607 1.00 1.00 H new ATOM 0 HA LYS A 13 -16.210 -9.409 -1.325 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -17.402 -7.155 -1.617 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -15.919 -6.405 -1.060 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -15.624 -6.379 -3.392 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -14.750 -7.829 -2.940 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -17.095 -9.024 -3.301 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -17.477 -7.590 -4.234 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -15.237 -8.040 -5.498 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -15.282 -9.627 -4.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -16.313 -9.641 -6.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -17.465 -9.987 -5.721 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -17.422 -8.449 -6.440 1.00 1.00 H new ATOM 206 N PHE A 14 -14.152 -8.145 0.866 1.00 1.00 N ATOM 207 CA PHE A 14 -12.800 -8.246 1.403 1.00 1.00 C ATOM 208 C PHE A 14 -12.314 -9.694 1.397 1.00 1.00 C ATOM 209 O PHE A 14 -11.139 -9.964 1.158 1.00 1.00 O ATOM 210 CB PHE A 14 -12.800 -7.683 2.832 1.00 1.00 C ATOM 211 CG PHE A 14 -11.501 -7.817 3.602 1.00 1.00 C ATOM 212 CD1 PHE A 14 -10.289 -7.468 2.988 1.00 1.00 C ATOM 213 CD2 PHE A 14 -11.501 -8.271 4.935 1.00 1.00 C ATOM 214 CE1 PHE A 14 -9.086 -7.496 3.718 1.00 1.00 C ATOM 215 CE2 PHE A 14 -10.293 -8.346 5.649 1.00 1.00 C ATOM 216 CZ PHE A 14 -9.089 -7.942 5.050 1.00 1.00 C ATOM 0 H PHE A 14 -14.798 -7.680 1.504 1.00 1.00 H new ATOM 0 HA PHE A 14 -12.117 -7.672 0.777 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.063 -6.626 2.784 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.587 -8.182 3.397 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -10.279 -7.176 1.948 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.428 -8.561 5.408 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -8.164 -7.176 3.256 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -10.291 -8.716 6.664 1.00 1.00 H new ATOM 0 HZ PHE A 14 -8.167 -7.974 5.612 1.00 1.00 H new ATOM 226 N GLU A 15 -13.226 -10.617 1.672 1.00 1.00 N ATOM 227 CA GLU A 15 -12.980 -12.047 1.599 1.00 1.00 C ATOM 228 C GLU A 15 -13.208 -12.596 0.181 1.00 1.00 C ATOM 229 O GLU A 15 -12.460 -13.474 -0.249 1.00 1.00 O ATOM 230 CB GLU A 15 -13.887 -12.755 2.620 1.00 1.00 C ATOM 231 CG GLU A 15 -13.439 -12.548 4.078 1.00 1.00 C ATOM 232 CD GLU A 15 -12.172 -13.331 4.447 1.00 1.00 C ATOM 233 OE1 GLU A 15 -11.583 -14.031 3.586 1.00 1.00 O ATOM 234 OE2 GLU A 15 -11.764 -13.305 5.630 1.00 1.00 O ATOM 0 H GLU A 15 -14.177 -10.385 1.958 1.00 1.00 H new ATOM 0 HA GLU A 15 -11.934 -12.239 1.839 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -14.907 -12.389 2.505 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -13.905 -13.823 2.401 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -13.262 -11.486 4.248 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -14.248 -12.847 4.744 1.00 1.00 H new ATOM 241 N ASN A 16 -14.233 -12.123 -0.541 1.00 1.00 N ATOM 242 CA ASN A 16 -14.681 -12.715 -1.797 1.00 1.00 C ATOM 243 C ASN A 16 -13.852 -12.283 -3.003 1.00 1.00 C ATOM 244 O ASN A 16 -13.849 -12.975 -4.025 1.00 1.00 O ATOM 245 CB ASN A 16 -16.161 -12.400 -2.004 1.00 1.00 C ATOM 246 CG ASN A 16 -17.049 -13.421 -1.314 1.00 1.00 C ATOM 247 OD1 ASN A 16 -17.353 -14.463 -1.885 1.00 1.00 O ATOM 248 ND2 ASN A 16 -17.478 -13.163 -0.091 1.00 1.00 N ATOM 0 H ASN A 16 -14.778 -11.308 -0.260 1.00 1.00 H new ATOM 0 HA ASN A 16 -14.538 -13.793 -1.719 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -16.380 -11.405 -1.617 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -16.385 -12.383 -3.071 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -18.072 -13.836 0.394 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -17.215 -12.291 0.368 1.00 1.00 H new ATOM 255 N GLU A 17 -13.164 -11.143 -2.951 1.00 1.00 N ATOM 256 CA GLU A 17 -12.035 -10.895 -3.826 1.00 1.00 C ATOM 257 C GLU A 17 -10.933 -11.906 -3.523 1.00 1.00 C ATOM 258 O GLU A 17 -10.086 -11.702 -2.651 1.00 1.00 O ATOM 259 CB GLU A 17 -11.545 -9.466 -3.621 1.00 1.00 C ATOM 260 CG GLU A 17 -12.360 -8.517 -4.483 1.00 1.00 C ATOM 261 CD GLU A 17 -12.012 -8.618 -5.969 1.00 1.00 C ATOM 262 OE1 GLU A 17 -10.917 -9.099 -6.348 1.00 1.00 O ATOM 263 OE2 GLU A 17 -12.871 -8.289 -6.814 1.00 1.00 O ATOM 0 H GLU A 17 -13.375 -10.379 -2.308 1.00 1.00 H new ATOM 0 HA GLU A 17 -12.330 -11.010 -4.869 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -11.635 -9.187 -2.571 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -10.489 -9.393 -3.881 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -13.420 -8.731 -4.348 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -12.195 -7.494 -4.145 1.00 1.00 H new ATOM 270 N GLU A 18 -10.900 -12.981 -4.307 1.00 1.00 N ATOM 271 CA GLU A 18 -9.841 -13.976 -4.261 1.00 1.00 C ATOM 272 C GLU A 18 -8.461 -13.336 -4.523 1.00 1.00 C ATOM 273 O GLU A 18 -7.425 -13.872 -4.124 1.00 1.00 O ATOM 274 CB GLU A 18 -10.154 -15.072 -5.285 1.00 1.00 C ATOM 275 CG GLU A 18 -9.495 -16.393 -4.886 1.00 1.00 C ATOM 276 CD GLU A 18 -9.465 -17.354 -6.065 1.00 1.00 C ATOM 277 OE1 GLU A 18 -10.413 -18.143 -6.248 1.00 1.00 O ATOM 278 OE2 GLU A 18 -8.457 -17.346 -6.808 1.00 1.00 O ATOM 0 H GLU A 18 -11.620 -13.185 -5.000 1.00 1.00 H new ATOM 0 HA GLU A 18 -9.797 -14.416 -3.265 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -11.233 -15.207 -5.361 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -9.801 -14.767 -6.270 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -8.480 -16.208 -4.535 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -10.042 -16.843 -4.057 1.00 1.00 H new ATOM 285 N PHE A 19 -8.448 -12.152 -5.148 1.00 1.00 N ATOM 286 CA PHE A 19 -7.289 -11.290 -5.263 1.00 1.00 C ATOM 287 C PHE A 19 -6.690 -11.020 -3.880 1.00 1.00 C ATOM 288 O PHE A 19 -5.491 -11.231 -3.701 1.00 1.00 O ATOM 289 CB PHE A 19 -7.668 -10.016 -6.026 1.00 1.00 C ATOM 290 CG PHE A 19 -6.490 -9.101 -6.268 1.00 1.00 C ATOM 291 CD1 PHE A 19 -6.083 -8.241 -5.241 1.00 1.00 C ATOM 292 CD2 PHE A 19 -5.775 -9.134 -7.478 1.00 1.00 C ATOM 293 CE1 PHE A 19 -4.980 -7.392 -5.415 1.00 1.00 C ATOM 294 CE2 PHE A 19 -4.657 -8.298 -7.649 1.00 1.00 C ATOM 295 CZ PHE A 19 -4.262 -7.423 -6.622 1.00 1.00 C ATOM 0 H PHE A 19 -9.277 -11.765 -5.599 1.00 1.00 H new ATOM 0 HA PHE A 19 -6.507 -11.782 -5.841 1.00 1.00 H new ATOM 0 HB2 PHE A 19 -8.111 -10.291 -6.983 1.00 1.00 H new ATOM 0 HB3 PHE A 19 -8.431 -9.476 -5.465 1.00 1.00 H new ATOM 0 HD1 PHE A 19 -6.623 -8.231 -4.306 1.00 1.00 H new ATOM 0 HD2 PHE A 19 -6.083 -9.798 -8.272 1.00 1.00 H new ATOM 0 HE1 PHE A 19 -4.684 -6.718 -4.625 1.00 1.00 H new ATOM 0 HE2 PHE A 19 -4.099 -8.328 -8.573 1.00 1.00 H new ATOM 0 HZ PHE A 19 -3.408 -6.776 -6.761 1.00 1.00 H new ATOM 305 N PHE A 20 -7.476 -10.580 -2.893 1.00 1.00 N ATOM 306 CA PHE A 20 -6.952 -10.344 -1.554 1.00 1.00 C ATOM 307 C PHE A 20 -6.586 -11.637 -0.855 1.00 1.00 C ATOM 308 O PHE A 20 -5.614 -11.631 -0.109 1.00 1.00 O ATOM 309 CB PHE A 20 -7.974 -9.566 -0.729 1.00 1.00 C ATOM 310 CG PHE A 20 -8.448 -8.261 -1.340 1.00 1.00 C ATOM 311 CD1 PHE A 20 -7.572 -7.346 -1.959 1.00 1.00 C ATOM 312 CD2 PHE A 20 -9.814 -7.968 -1.293 1.00 1.00 C ATOM 313 CE1 PHE A 20 -8.057 -6.134 -2.476 1.00 1.00 C ATOM 314 CE2 PHE A 20 -10.309 -6.771 -1.829 1.00 1.00 C ATOM 315 CZ PHE A 20 -9.430 -5.842 -2.406 1.00 1.00 C ATOM 0 H PHE A 20 -8.471 -10.382 -2.999 1.00 1.00 H new ATOM 0 HA PHE A 20 -6.039 -9.757 -1.650 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -8.841 -10.205 -0.561 1.00 1.00 H new ATOM 0 HB3 PHE A 20 -7.540 -9.353 0.248 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -6.520 -7.579 -2.036 1.00 1.00 H new ATOM 0 HD2 PHE A 20 -10.496 -8.672 -0.839 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -7.376 -5.427 -2.927 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -11.368 -6.564 -1.798 1.00 1.00 H new ATOM 0 HZ PHE A 20 -9.807 -4.907 -2.794 1.00 1.00 H new ATOM 325 N ARG A 21 -7.261 -12.757 -1.124 1.00 1.00 N ATOM 326 CA ARG A 21 -6.889 -14.032 -0.510 1.00 1.00 C ATOM 327 C ARG A 21 -5.439 -14.379 -0.777 1.00 1.00 C ATOM 328 O ARG A 21 -4.713 -14.767 0.139 1.00 1.00 O ATOM 329 CB ARG A 21 -7.803 -15.162 -1.014 1.00 1.00 C ATOM 330 CG ARG A 21 -8.873 -15.554 -0.001 1.00 1.00 C ATOM 331 CD ARG A 21 -8.227 -16.351 1.132 1.00 1.00 C ATOM 332 NE ARG A 21 -9.235 -16.916 2.031 1.00 1.00 N ATOM 333 CZ ARG A 21 -8.995 -17.891 2.910 1.00 1.00 C ATOM 334 NH1 ARG A 21 -7.782 -18.420 3.042 1.00 1.00 N ATOM 335 NH2 ARG A 21 -9.970 -18.350 3.678 1.00 1.00 N ATOM 0 H ARG A 21 -8.060 -12.807 -1.756 1.00 1.00 H new ATOM 0 HA ARG A 21 -7.016 -13.924 0.567 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -8.284 -14.848 -1.940 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -7.196 -16.036 -1.251 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -9.358 -14.662 0.396 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -9.647 -16.149 -0.485 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -7.620 -17.154 0.714 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -7.555 -15.704 1.697 1.00 1.00 H new ATOM 0 HE ARG A 21 -10.182 -16.540 1.982 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -7.012 -18.081 2.465 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -7.621 -19.165 3.720 1.00 1.00 H new ATOM 0 HH21 ARG A 21 -10.909 -17.958 3.599 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -9.783 -19.095 4.349 1.00 1.00 H new ATOM 349 N LYS A 22 -4.991 -14.168 -2.003 1.00 1.00 N ATOM 350 CA LYS A 22 -3.624 -14.465 -2.388 1.00 1.00 C ATOM 351 C LYS A 22 -2.638 -13.661 -1.548 1.00 1.00 C ATOM 352 O LYS A 22 -1.618 -14.192 -1.116 1.00 1.00 O ATOM 353 CB LYS A 22 -3.502 -14.196 -3.891 1.00 1.00 C ATOM 354 CG LYS A 22 -4.251 -15.313 -4.637 1.00 1.00 C ATOM 355 CD LYS A 22 -4.782 -14.906 -6.010 1.00 1.00 C ATOM 356 CE LYS A 22 -5.959 -15.824 -6.306 1.00 1.00 C ATOM 357 NZ LYS A 22 -6.555 -15.590 -7.625 1.00 1.00 N ATOM 0 H LYS A 22 -5.563 -13.787 -2.756 1.00 1.00 H new ATOM 0 HA LYS A 22 -3.376 -15.509 -2.198 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -3.925 -13.222 -4.139 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -2.454 -14.174 -4.190 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -3.582 -16.165 -4.757 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -5.086 -15.648 -4.022 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -5.094 -13.862 -6.011 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -4.009 -15.009 -6.771 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -5.628 -16.861 -6.242 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -6.722 -15.685 -5.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -7.401 -16.185 -7.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -6.822 -14.589 -7.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -5.865 -15.831 -8.365 1.00 1.00 H new ATOM 371 N LEU A 23 -2.898 -12.365 -1.388 1.00 1.00 N ATOM 372 CA LEU A 23 -2.066 -11.445 -0.638 1.00 1.00 C ATOM 373 C LEU A 23 -2.275 -11.629 0.872 1.00 1.00 C ATOM 374 O LEU A 23 -1.497 -11.061 1.634 1.00 1.00 O ATOM 375 CB LEU A 23 -2.387 -10.005 -1.068 1.00 1.00 C ATOM 376 CG LEU A 23 -2.467 -9.793 -2.595 1.00 1.00 C ATOM 377 CD1 LEU A 23 -2.497 -8.307 -2.955 1.00 1.00 C ATOM 378 CD2 LEU A 23 -1.371 -10.487 -3.417 1.00 1.00 C ATOM 0 H LEU A 23 -3.721 -11.919 -1.792 1.00 1.00 H new ATOM 0 HA LEU A 23 -1.017 -11.653 -0.850 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -3.337 -9.710 -0.623 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -1.625 -9.340 -0.661 1.00 1.00 H new ATOM 0 HG LEU A 23 -3.406 -10.274 -2.870 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -2.553 -8.196 -4.038 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -3.368 -7.839 -2.496 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -1.591 -7.825 -2.588 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -1.520 -10.274 -4.475 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -0.394 -10.117 -3.106 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -1.420 -11.564 -3.253 1.00 1.00 H new ATOM 390 N SER A 24 -3.381 -12.275 1.314 1.00 1.00 N ATOM 391 CA SER A 24 -3.812 -12.035 2.689 1.00 1.00 C ATOM 392 C SER A 24 -2.790 -12.590 3.702 1.00 1.00 C ATOM 393 O SER A 24 -2.024 -13.508 3.386 1.00 1.00 O ATOM 394 CB SER A 24 -5.191 -12.622 3.055 1.00 1.00 C ATOM 395 OG SER A 24 -5.501 -13.874 2.482 1.00 1.00 O ATOM 0 H SER A 24 -3.951 -12.923 0.771 1.00 1.00 H new ATOM 0 HA SER A 24 -3.889 -10.949 2.746 1.00 1.00 H new ATOM 0 HB2 SER A 24 -5.247 -12.717 4.139 1.00 1.00 H new ATOM 0 HB3 SER A 24 -5.959 -11.908 2.757 1.00 1.00 H new ATOM 0 HG SER A 24 -4.840 -14.090 1.791 1.00 1.00 H new ATOM 401 N ARG A 25 -2.951 -12.151 4.955 1.00 1.00 N ATOM 402 CA ARG A 25 -2.246 -12.370 6.202 1.00 1.00 C ATOM 403 C ARG A 25 -0.746 -12.122 6.113 1.00 1.00 C ATOM 404 O ARG A 25 -0.161 -12.138 5.038 1.00 1.00 O ATOM 405 CB ARG A 25 -2.589 -13.767 6.684 1.00 1.00 C ATOM 406 CG ARG A 25 -4.077 -14.052 6.966 1.00 1.00 C ATOM 407 CD ARG A 25 -4.265 -15.098 8.072 1.00 1.00 C ATOM 408 NE ARG A 25 -3.812 -14.580 9.373 1.00 1.00 N ATOM 409 CZ ARG A 25 -3.463 -15.294 10.447 1.00 1.00 C ATOM 410 NH1 ARG A 25 -3.539 -16.619 10.457 1.00 1.00 N ATOM 411 NH2 ARG A 25 -3.008 -14.691 11.534 1.00 1.00 N ATOM 0 H ARG A 25 -3.729 -11.516 5.133 1.00 1.00 H new ATOM 0 HA ARG A 25 -2.577 -11.632 6.933 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.241 -14.480 5.937 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.026 -13.961 7.597 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -4.574 -13.126 7.255 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -4.558 -14.401 6.052 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.316 -15.380 8.135 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -3.707 -16.000 7.822 1.00 1.00 H new ATOM 0 HE ARG A 25 -3.759 -13.566 9.465 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -3.870 -17.117 9.631 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -3.266 -17.139 11.291 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -2.922 -13.675 11.555 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -2.743 -15.242 12.350 1.00 1.00 H new ATOM 425 N GLU A 26 -0.148 -11.800 7.256 1.00 1.00 N ATOM 426 CA GLU A 26 1.185 -11.201 7.348 1.00 1.00 C ATOM 427 C GLU A 26 2.239 -12.152 6.787 1.00 1.00 C ATOM 428 O GLU A 26 2.514 -13.199 7.378 1.00 1.00 O ATOM 429 CB GLU A 26 1.476 -10.668 8.759 1.00 1.00 C ATOM 430 CG GLU A 26 1.361 -11.680 9.905 1.00 1.00 C ATOM 431 CD GLU A 26 1.273 -10.955 11.248 1.00 1.00 C ATOM 432 OE1 GLU A 26 0.184 -10.417 11.562 1.00 1.00 O ATOM 433 OE2 GLU A 26 2.277 -10.917 11.998 1.00 1.00 O ATOM 0 H GLU A 26 -0.584 -11.950 8.166 1.00 1.00 H new ATOM 0 HA GLU A 26 1.224 -10.314 6.716 1.00 1.00 H new ATOM 0 HB2 GLU A 26 2.485 -10.255 8.767 1.00 1.00 H new ATOM 0 HB3 GLU A 26 0.792 -9.843 8.961 1.00 1.00 H new ATOM 0 HG2 GLU A 26 0.478 -12.303 9.762 1.00 1.00 H new ATOM 0 HG3 GLU A 26 2.224 -12.345 9.899 1.00 1.00 H new ATOM 440 N CYS A 27 2.771 -11.825 5.612 1.00 1.00 N ATOM 441 CA CYS A 27 3.718 -12.621 4.857 1.00 1.00 C ATOM 442 C CYS A 27 4.701 -11.731 4.108 1.00 1.00 C ATOM 443 O CYS A 27 4.661 -10.506 4.191 1.00 1.00 O ATOM 444 CB CYS A 27 2.969 -13.540 3.896 1.00 1.00 C ATOM 445 SG CYS A 27 1.887 -12.630 2.749 1.00 1.00 S ATOM 0 H CYS A 27 2.537 -10.951 5.142 1.00 1.00 H new ATOM 0 HA CYS A 27 4.294 -13.234 5.550 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.689 -14.124 3.323 1.00 1.00 H new ATOM 0 HB3 CYS A 27 2.370 -14.247 4.469 1.00 1.00 H new ATOM 0 HG CYS A 27 0.816 -12.243 3.377 1.00 1.00 H new ATOM 451 N GLU A 28 5.631 -12.366 3.415 1.00 1.00 N ATOM 452 CA GLU A 28 6.743 -11.667 2.791 1.00 1.00 C ATOM 453 C GLU A 28 6.300 -10.921 1.521 1.00 1.00 C ATOM 454 O GLU A 28 5.499 -11.420 0.716 1.00 1.00 O ATOM 455 CB GLU A 28 7.882 -12.672 2.562 1.00 1.00 C ATOM 456 CG GLU A 28 9.238 -12.031 2.245 1.00 1.00 C ATOM 457 CD GLU A 28 10.378 -13.034 2.417 1.00 1.00 C ATOM 458 OE1 GLU A 28 10.520 -13.961 1.592 1.00 1.00 O ATOM 459 OE2 GLU A 28 11.116 -12.947 3.429 1.00 1.00 O ATOM 0 H GLU A 28 5.638 -13.375 3.269 1.00 1.00 H new ATOM 0 HA GLU A 28 7.118 -10.883 3.449 1.00 1.00 H new ATOM 0 HB2 GLU A 28 7.987 -13.293 3.452 1.00 1.00 H new ATOM 0 HB3 GLU A 28 7.606 -13.334 1.741 1.00 1.00 H new ATOM 0 HG2 GLU A 28 9.234 -11.653 1.223 1.00 1.00 H new ATOM 0 HG3 GLU A 28 9.401 -11.176 2.901 1.00 1.00 H new ATOM 466 N ILE A 29 6.856 -9.724 1.333 1.00 1.00 N ATOM 467 CA ILE A 29 6.592 -8.765 0.264 1.00 1.00 C ATOM 468 C ILE A 29 7.906 -8.188 -0.243 1.00 1.00 C ATOM 469 O ILE A 29 8.931 -8.268 0.438 1.00 1.00 O ATOM 470 CB ILE A 29 5.682 -7.611 0.749 1.00 1.00 C ATOM 471 CG1 ILE A 29 6.268 -6.914 1.989 1.00 1.00 C ATOM 472 CG2 ILE A 29 4.265 -8.120 1.015 1.00 1.00 C ATOM 473 CD1 ILE A 29 5.566 -5.604 2.342 1.00 1.00 C ATOM 0 H ILE A 29 7.562 -9.372 1.980 1.00 1.00 H new ATOM 0 HA ILE A 29 6.078 -9.293 -0.539 1.00 1.00 H new ATOM 0 HB ILE A 29 5.632 -6.866 -0.045 1.00 1.00 H new ATOM 0 HG12 ILE A 29 6.205 -7.592 2.840 1.00 1.00 H new ATOM 0 HG13 ILE A 29 7.326 -6.715 1.818 1.00 1.00 H new ATOM 0 HG21 ILE A 29 3.640 -7.295 1.355 1.00 1.00 H new ATOM 0 HG22 ILE A 29 3.849 -8.536 0.097 1.00 1.00 H new ATOM 0 HG23 ILE A 29 4.294 -8.893 1.783 1.00 1.00 H new ATOM 0 HD11 ILE A 29 6.032 -5.168 3.226 1.00 1.00 H new ATOM 0 HD12 ILE A 29 5.652 -4.909 1.507 1.00 1.00 H new ATOM 0 HD13 ILE A 29 4.513 -5.799 2.545 1.00 1.00 H new ATOM 485 N LYS A 30 7.871 -7.554 -1.417 1.00 1.00 N ATOM 486 CA LYS A 30 9.053 -6.841 -1.931 1.00 1.00 C ATOM 487 C LYS A 30 8.746 -5.809 -2.993 1.00 1.00 C ATOM 488 O LYS A 30 7.822 -5.987 -3.771 1.00 1.00 O ATOM 489 CB LYS A 30 10.094 -7.828 -2.476 1.00 1.00 C ATOM 490 CG LYS A 30 9.575 -8.732 -3.575 1.00 1.00 C ATOM 491 CD LYS A 30 10.575 -9.806 -3.988 1.00 1.00 C ATOM 492 CE LYS A 30 9.839 -10.689 -5.007 1.00 1.00 C ATOM 493 NZ LYS A 30 10.566 -11.932 -5.311 1.00 1.00 N ATOM 0 H LYS A 30 7.053 -7.517 -2.025 1.00 1.00 H new ATOM 0 HA LYS A 30 9.450 -6.301 -1.071 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.947 -7.266 -2.856 1.00 1.00 H new ATOM 0 HB3 LYS A 30 10.458 -8.445 -1.655 1.00 1.00 H new ATOM 0 HG2 LYS A 30 8.655 -9.210 -3.239 1.00 1.00 H new ATOM 0 HG3 LYS A 30 9.321 -8.127 -4.445 1.00 1.00 H new ATOM 0 HD2 LYS A 30 11.468 -9.361 -4.428 1.00 1.00 H new ATOM 0 HD3 LYS A 30 10.901 -10.390 -3.127 1.00 1.00 H new ATOM 0 HE2 LYS A 30 8.850 -10.936 -4.620 1.00 1.00 H new ATOM 0 HE3 LYS A 30 9.689 -10.126 -5.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 10.026 -12.490 -6.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 11.500 -11.700 -5.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 10.687 -12.486 -4.439 1.00 1.00 H new ATOM 507 N TYR A 31 9.531 -4.739 -3.059 1.00 1.00 N ATOM 508 CA TYR A 31 9.365 -3.676 -4.035 1.00 1.00 C ATOM 509 C TYR A 31 9.589 -4.232 -5.451 1.00 1.00 C ATOM 510 O TYR A 31 10.429 -5.114 -5.635 1.00 1.00 O ATOM 511 CB TYR A 31 10.332 -2.548 -3.654 1.00 1.00 C ATOM 512 CG TYR A 31 9.881 -1.194 -4.142 1.00 1.00 C ATOM 513 CD1 TYR A 31 9.985 -0.888 -5.502 1.00 1.00 C ATOM 514 CD2 TYR A 31 9.288 -0.271 -3.261 1.00 1.00 C ATOM 515 CE1 TYR A 31 9.490 0.325 -5.989 1.00 1.00 C ATOM 516 CE2 TYR A 31 8.809 0.959 -3.747 1.00 1.00 C ATOM 517 CZ TYR A 31 8.941 1.268 -5.114 1.00 1.00 C ATOM 518 OH TYR A 31 8.627 2.481 -5.625 1.00 1.00 O ATOM 0 H TYR A 31 10.314 -4.587 -2.423 1.00 1.00 H new ATOM 0 HA TYR A 31 8.354 -3.269 -4.034 1.00 1.00 H new ATOM 0 HB2 TYR A 31 10.439 -2.520 -2.570 1.00 1.00 H new ATOM 0 HB3 TYR A 31 11.317 -2.767 -4.066 1.00 1.00 H new ATOM 0 HD1 TYR A 31 10.449 -1.591 -6.178 1.00 1.00 H new ATOM 0 HD2 TYR A 31 9.201 -0.507 -2.211 1.00 1.00 H new ATOM 0 HE1 TYR A 31 9.532 0.535 -7.047 1.00 1.00 H new ATOM 0 HE2 TYR A 31 8.342 1.663 -3.074 1.00 1.00 H new ATOM 0 HH TYR A 31 7.710 2.716 -5.371 1.00 1.00 H new ATOM 528 N THR A 32 8.897 -3.713 -6.472 1.00 1.00 N ATOM 529 CA THR A 32 9.086 -4.156 -7.858 1.00 1.00 C ATOM 530 C THR A 32 9.040 -3.022 -8.897 1.00 1.00 C ATOM 531 O THR A 32 9.133 -3.317 -10.088 1.00 1.00 O ATOM 532 CB THR A 32 8.133 -5.326 -8.173 1.00 1.00 C ATOM 533 OG1 THR A 32 8.443 -5.879 -9.439 1.00 1.00 O ATOM 534 CG2 THR A 32 6.664 -4.912 -8.177 1.00 1.00 C ATOM 0 H THR A 32 8.196 -2.980 -6.362 1.00 1.00 H new ATOM 0 HA THR A 32 10.108 -4.524 -7.944 1.00 1.00 H new ATOM 0 HB THR A 32 8.277 -6.059 -7.379 1.00 1.00 H new ATOM 0 HG1 THR A 32 8.783 -5.174 -10.029 1.00 1.00 H new ATOM 0 HG21 THR A 32 6.043 -5.778 -8.405 1.00 1.00 H new ATOM 0 HG22 THR A 32 6.394 -4.519 -7.197 1.00 1.00 H new ATOM 0 HG23 THR A 32 6.505 -4.142 -8.932 1.00 1.00 H new ATOM 542 N GLY A 33 8.948 -1.751 -8.491 1.00 1.00 N ATOM 543 CA GLY A 33 9.355 -0.634 -9.343 1.00 1.00 C ATOM 544 C GLY A 33 10.873 -0.562 -9.423 1.00 1.00 C ATOM 545 O GLY A 33 11.528 -1.597 -9.412 1.00 1.00 O ATOM 0 H GLY A 33 8.594 -1.472 -7.576 1.00 1.00 H new ATOM 0 HA2 GLY A 33 8.936 -0.757 -10.342 1.00 1.00 H new ATOM 0 HA3 GLY A 33 8.960 0.300 -8.944 1.00 1.00 H new ATOM 549 N PHE A 34 11.447 0.641 -9.488 1.00 1.00 N ATOM 550 CA PHE A 34 12.829 0.924 -9.859 1.00 1.00 C ATOM 551 C PHE A 34 13.891 0.233 -8.968 1.00 1.00 C ATOM 552 O PHE A 34 15.049 0.142 -9.387 1.00 1.00 O ATOM 553 CB PHE A 34 12.943 2.458 -10.014 1.00 1.00 C ATOM 554 CG PHE A 34 14.301 3.087 -9.826 1.00 1.00 C ATOM 555 CD1 PHE A 34 14.834 3.130 -8.533 1.00 1.00 C ATOM 556 CD2 PHE A 34 14.977 3.710 -10.890 1.00 1.00 C ATOM 557 CE1 PHE A 34 16.077 3.755 -8.311 1.00 1.00 C ATOM 558 CE2 PHE A 34 16.212 4.345 -10.665 1.00 1.00 C ATOM 559 CZ PHE A 34 16.761 4.372 -9.373 1.00 1.00 C ATOM 0 H PHE A 34 10.927 1.491 -9.270 1.00 1.00 H new ATOM 0 HA PHE A 34 13.076 0.462 -10.815 1.00 1.00 H new ATOM 0 HB2 PHE A 34 12.588 2.721 -11.010 1.00 1.00 H new ATOM 0 HB3 PHE A 34 12.260 2.918 -9.300 1.00 1.00 H new ATOM 0 HD1 PHE A 34 14.295 2.686 -7.709 1.00 1.00 H new ATOM 0 HD2 PHE A 34 14.548 3.701 -11.881 1.00 1.00 H new ATOM 0 HE1 PHE A 34 16.506 3.760 -7.320 1.00 1.00 H new ATOM 0 HE2 PHE A 34 16.737 4.811 -11.485 1.00 1.00 H new ATOM 0 HZ PHE A 34 17.705 4.865 -9.196 1.00 1.00 H new ATOM 569 N ARG A 35 13.513 -0.400 -7.840 1.00 1.00 N ATOM 570 CA ARG A 35 14.355 -1.436 -7.195 1.00 1.00 C ATOM 571 C ARG A 35 14.757 -2.550 -8.182 1.00 1.00 C ATOM 572 O ARG A 35 15.763 -3.209 -7.944 1.00 1.00 O ATOM 573 CB ARG A 35 13.661 -2.047 -5.952 1.00 1.00 C ATOM 574 CG ARG A 35 14.408 -3.217 -5.278 1.00 1.00 C ATOM 575 CD ARG A 35 13.763 -4.616 -5.222 1.00 1.00 C ATOM 576 NE ARG A 35 13.089 -5.113 -6.439 1.00 1.00 N ATOM 577 CZ ARG A 35 13.606 -5.916 -7.378 1.00 1.00 C ATOM 578 NH1 ARG A 35 14.901 -5.877 -7.665 1.00 1.00 N ATOM 579 NH2 ARG A 35 12.821 -6.760 -8.044 1.00 1.00 N ATOM 0 H ARG A 35 12.634 -0.216 -7.356 1.00 1.00 H new ATOM 0 HA ARG A 35 15.264 -0.932 -6.866 1.00 1.00 H new ATOM 0 HB2 ARG A 35 13.518 -1.258 -5.214 1.00 1.00 H new ATOM 0 HB3 ARG A 35 12.670 -2.393 -6.245 1.00 1.00 H new ATOM 0 HG2 ARG A 35 15.367 -3.323 -5.784 1.00 1.00 H new ATOM 0 HG3 ARG A 35 14.620 -2.917 -4.252 1.00 1.00 H new ATOM 0 HD2 ARG A 35 14.539 -5.332 -4.953 1.00 1.00 H new ATOM 0 HD3 ARG A 35 13.034 -4.617 -4.412 1.00 1.00 H new ATOM 0 HE ARG A 35 12.125 -4.812 -6.579 1.00 1.00 H new ATOM 0 HH11 ARG A 35 15.514 -5.231 -7.168 1.00 1.00 H new ATOM 0 HH12 ARG A 35 15.283 -6.493 -8.382 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.822 -6.797 -7.840 1.00 1.00 H new ATOM 0 HH22 ARG A 35 13.218 -7.370 -8.758 1.00 1.00 H new ATOM 593 N ASP A 36 14.043 -2.730 -9.291 1.00 1.00 N ATOM 594 CA ASP A 36 14.390 -3.573 -10.434 1.00 1.00 C ATOM 595 C ASP A 36 15.870 -3.498 -10.795 1.00 1.00 C ATOM 596 O ASP A 36 16.520 -4.529 -10.994 1.00 1.00 O ATOM 597 CB ASP A 36 13.559 -3.149 -11.668 1.00 1.00 C ATOM 598 CG ASP A 36 12.786 -4.278 -12.338 1.00 1.00 C ATOM 599 OD1 ASP A 36 13.100 -5.472 -12.122 1.00 1.00 O ATOM 600 OD2 ASP A 36 11.896 -3.955 -13.152 1.00 1.00 O ATOM 0 H ASP A 36 13.148 -2.260 -9.424 1.00 1.00 H new ATOM 0 HA ASP A 36 14.166 -4.600 -10.146 1.00 1.00 H new ATOM 0 HB2 ASP A 36 12.854 -2.375 -11.365 1.00 1.00 H new ATOM 0 HB3 ASP A 36 14.228 -2.700 -12.402 1.00 1.00 H new ATOM 605 N ARG A 37 16.389 -2.270 -10.903 1.00 1.00 N ATOM 606 CA ARG A 37 17.724 -1.982 -11.418 1.00 1.00 C ATOM 607 C ARG A 37 18.796 -2.620 -10.528 1.00 1.00 C ATOM 608 O ARG A 37 18.537 -2.862 -9.349 1.00 1.00 O ATOM 609 CB ARG A 37 17.891 -0.453 -11.536 1.00 1.00 C ATOM 610 CG ARG A 37 16.987 0.118 -12.638 1.00 1.00 C ATOM 611 CD ARG A 37 17.240 1.610 -12.878 1.00 1.00 C ATOM 612 NE ARG A 37 16.157 2.195 -13.687 1.00 1.00 N ATOM 613 CZ ARG A 37 16.121 2.366 -15.015 1.00 1.00 C ATOM 614 NH1 ARG A 37 17.149 2.054 -15.798 1.00 1.00 N ATOM 615 NH2 ARG A 37 15.030 2.857 -15.589 1.00 1.00 N ATOM 0 H ARG A 37 15.877 -1.432 -10.627 1.00 1.00 H new ATOM 0 HA ARG A 37 17.848 -2.419 -12.409 1.00 1.00 H new ATOM 0 HB2 ARG A 37 17.649 0.017 -10.583 1.00 1.00 H new ATOM 0 HB3 ARG A 37 18.932 -0.213 -11.754 1.00 1.00 H new ATOM 0 HG2 ARG A 37 17.155 -0.431 -13.564 1.00 1.00 H new ATOM 0 HG3 ARG A 37 15.943 -0.032 -12.363 1.00 1.00 H new ATOM 0 HD2 ARG A 37 17.310 2.131 -11.923 1.00 1.00 H new ATOM 0 HD3 ARG A 37 18.195 1.746 -13.386 1.00 1.00 H new ATOM 0 HE ARG A 37 15.334 2.508 -13.173 1.00 1.00 H new ATOM 0 HH11 ARG A 37 18.002 1.670 -15.391 1.00 1.00 H new ATOM 0 HH12 ARG A 37 17.085 2.198 -16.806 1.00 1.00 H new ATOM 0 HH21 ARG A 37 14.221 3.103 -15.019 1.00 1.00 H new ATOM 0 HH22 ARG A 37 15.001 2.988 -16.600 1.00 1.00 H new ATOM 629 N PRO A 38 20.014 -2.851 -11.048 1.00 1.00 N ATOM 630 CA PRO A 38 21.105 -3.454 -10.288 1.00 1.00 C ATOM 631 C PRO A 38 21.299 -2.712 -8.977 1.00 1.00 C ATOM 632 O PRO A 38 21.367 -1.485 -8.991 1.00 1.00 O ATOM 633 CB PRO A 38 22.340 -3.377 -11.177 1.00 1.00 C ATOM 634 CG PRO A 38 21.956 -2.402 -12.286 1.00 1.00 C ATOM 635 CD PRO A 38 20.453 -2.587 -12.407 1.00 1.00 C ATOM 0 HA PRO A 38 20.897 -4.491 -10.026 1.00 1.00 H new ATOM 0 HB2 PRO A 38 23.208 -3.023 -10.620 1.00 1.00 H new ATOM 0 HB3 PRO A 38 22.599 -4.355 -11.582 1.00 1.00 H new ATOM 0 HG2 PRO A 38 22.216 -1.375 -12.027 1.00 1.00 H new ATOM 0 HG3 PRO A 38 22.467 -2.634 -13.221 1.00 1.00 H new ATOM 0 HD2 PRO A 38 19.974 -1.696 -12.814 1.00 1.00 H new ATOM 0 HD3 PRO A 38 20.206 -3.414 -13.073 1.00 1.00 H new ATOM 643 N HIS A 39 21.275 -3.419 -7.849 1.00 1.00 N ATOM 644 CA HIS A 39 21.071 -2.801 -6.544 1.00 1.00 C ATOM 645 C HIS A 39 22.213 -1.851 -6.175 1.00 1.00 C ATOM 646 O HIS A 39 23.233 -1.839 -6.861 1.00 1.00 O ATOM 647 CB HIS A 39 20.849 -3.867 -5.463 1.00 1.00 C ATOM 648 CG HIS A 39 19.729 -3.454 -4.548 1.00 1.00 C ATOM 649 ND1 HIS A 39 18.394 -3.611 -4.832 1.00 1.00 N ATOM 650 CD2 HIS A 39 19.833 -2.845 -3.325 1.00 1.00 C ATOM 651 CE1 HIS A 39 17.705 -3.099 -3.805 1.00 1.00 C ATOM 652 NE2 HIS A 39 18.535 -2.611 -2.869 1.00 1.00 N ATOM 0 H HIS A 39 21.396 -4.431 -7.815 1.00 1.00 H new ATOM 0 HA HIS A 39 20.168 -2.194 -6.606 1.00 1.00 H new ATOM 0 HB2 HIS A 39 20.614 -4.824 -5.929 1.00 1.00 H new ATOM 0 HB3 HIS A 39 21.764 -4.009 -4.888 1.00 1.00 H new ATOM 0 HD1 HIS A 39 18.001 -4.039 -5.670 1.00 1.00 H new ATOM 0 HD2 HIS A 39 20.748 -2.593 -2.810 1.00 1.00 H new ATOM 0 HE1 HIS A 39 16.627 -3.081 -3.738 1.00 1.00 H new ATOM 660 N GLU A 40 22.016 -1.084 -5.092 1.00 1.00 N ATOM 661 CA GLU A 40 22.975 -0.249 -4.344 1.00 1.00 C ATOM 662 C GLU A 40 22.651 1.248 -4.480 1.00 1.00 C ATOM 663 O GLU A 40 23.158 2.060 -3.714 1.00 1.00 O ATOM 664 CB GLU A 40 24.437 -0.566 -4.719 1.00 1.00 C ATOM 665 CG GLU A 40 25.490 -0.002 -3.775 1.00 1.00 C ATOM 666 CD GLU A 40 26.810 -0.745 -3.973 1.00 1.00 C ATOM 667 OE1 GLU A 40 27.392 -0.637 -5.076 1.00 1.00 O ATOM 668 OE2 GLU A 40 27.229 -1.461 -3.031 1.00 1.00 O ATOM 0 H GLU A 40 21.087 -1.026 -4.674 1.00 1.00 H new ATOM 0 HA GLU A 40 22.865 -0.503 -3.290 1.00 1.00 H new ATOM 0 HB2 GLU A 40 24.556 -1.649 -4.764 1.00 1.00 H new ATOM 0 HB3 GLU A 40 24.629 -0.182 -5.721 1.00 1.00 H new ATOM 0 HG2 GLU A 40 25.629 1.062 -3.964 1.00 1.00 H new ATOM 0 HG3 GLU A 40 25.157 -0.102 -2.742 1.00 1.00 H new ATOM 675 N GLU A 41 21.764 1.630 -5.405 1.00 1.00 N ATOM 676 CA GLU A 41 21.416 3.022 -5.717 1.00 1.00 C ATOM 677 C GLU A 41 19.882 3.178 -5.747 1.00 1.00 C ATOM 678 O GLU A 41 19.313 3.889 -6.575 1.00 1.00 O ATOM 679 CB GLU A 41 22.202 3.427 -6.987 1.00 1.00 C ATOM 680 CG GLU A 41 21.907 4.809 -7.608 1.00 1.00 C ATOM 681 CD GLU A 41 20.927 4.814 -8.796 1.00 1.00 C ATOM 682 OE1 GLU A 41 20.703 3.778 -9.467 1.00 1.00 O ATOM 683 OE2 GLU A 41 20.391 5.904 -9.098 1.00 1.00 O ATOM 0 H GLU A 41 21.252 0.958 -5.976 1.00 1.00 H new ATOM 0 HA GLU A 41 21.721 3.736 -4.951 1.00 1.00 H new ATOM 0 HB2 GLU A 41 23.265 3.387 -6.749 1.00 1.00 H new ATOM 0 HB3 GLU A 41 22.017 2.671 -7.750 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.508 5.459 -6.829 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.849 5.247 -7.937 1.00 1.00 H new ATOM 690 N ARG A 42 19.178 2.472 -4.853 1.00 1.00 N ATOM 691 CA ARG A 42 17.712 2.436 -4.811 1.00 1.00 C ATOM 692 C ARG A 42 17.093 2.489 -3.412 1.00 1.00 C ATOM 693 O ARG A 42 15.885 2.670 -3.308 1.00 1.00 O ATOM 694 CB ARG A 42 17.114 1.326 -5.705 1.00 1.00 C ATOM 695 CG ARG A 42 17.849 -0.023 -5.836 1.00 1.00 C ATOM 696 CD ARG A 42 17.846 -0.532 -7.293 1.00 1.00 C ATOM 697 NE ARG A 42 19.067 -0.182 -8.033 1.00 1.00 N ATOM 698 CZ ARG A 42 19.416 0.962 -8.628 1.00 1.00 C ATOM 699 NH1 ARG A 42 18.603 1.995 -8.740 1.00 1.00 N ATOM 700 NH2 ARG A 42 20.627 1.084 -9.132 1.00 1.00 N ATOM 0 H ARG A 42 19.617 1.903 -4.130 1.00 1.00 H new ATOM 0 HA ARG A 42 17.412 3.386 -5.253 1.00 1.00 H new ATOM 0 HB2 ARG A 42 16.110 1.116 -5.337 1.00 1.00 H new ATOM 0 HB3 ARG A 42 17.006 1.738 -6.708 1.00 1.00 H new ATOM 0 HG2 ARG A 42 18.877 0.087 -5.490 1.00 1.00 H new ATOM 0 HG3 ARG A 42 17.373 -0.762 -5.191 1.00 1.00 H new ATOM 0 HD2 ARG A 42 17.728 -1.616 -7.292 1.00 1.00 H new ATOM 0 HD3 ARG A 42 16.983 -0.118 -7.814 1.00 1.00 H new ATOM 0 HE ARG A 42 19.756 -0.931 -8.103 1.00 1.00 H new ATOM 0 HH11 ARG A 42 17.657 1.943 -8.362 1.00 1.00 H new ATOM 0 HH12 ARG A 42 18.920 2.846 -9.204 1.00 1.00 H new ATOM 0 HH21 ARG A 42 21.287 0.309 -9.066 1.00 1.00 H new ATOM 0 HH22 ARG A 42 20.904 1.953 -9.589 1.00 1.00 H new ATOM 714 N GLN A 43 17.846 2.298 -2.335 1.00 1.00 N ATOM 715 CA GLN A 43 17.304 2.147 -0.987 1.00 1.00 C ATOM 716 C GLN A 43 16.686 3.438 -0.445 1.00 1.00 C ATOM 717 O GLN A 43 15.543 3.445 0.006 1.00 1.00 O ATOM 718 CB GLN A 43 18.419 1.603 -0.094 1.00 1.00 C ATOM 719 CG GLN A 43 18.648 0.111 -0.412 1.00 1.00 C ATOM 720 CD GLN A 43 20.121 -0.265 -0.327 1.00 1.00 C ATOM 721 OE1 GLN A 43 20.906 0.062 -1.213 1.00 1.00 O ATOM 722 NE2 GLN A 43 20.530 -0.920 0.739 1.00 1.00 N ATOM 0 H GLN A 43 18.864 2.243 -2.372 1.00 1.00 H new ATOM 0 HA GLN A 43 16.473 1.442 -1.005 1.00 1.00 H new ATOM 0 HB2 GLN A 43 19.338 2.166 -0.257 1.00 1.00 H new ATOM 0 HB3 GLN A 43 18.152 1.726 0.956 1.00 1.00 H new ATOM 0 HG2 GLN A 43 18.076 -0.501 0.285 1.00 1.00 H new ATOM 0 HG3 GLN A 43 18.274 -0.109 -1.412 1.00 1.00 H new ATOM 0 HE21 GLN A 43 19.862 -1.182 1.464 1.00 1.00 H new ATOM 0 HE22 GLN A 43 21.515 -1.165 0.840 1.00 1.00 H new ATOM 731 N THR A 44 17.426 4.534 -0.491 1.00 1.00 N ATOM 732 CA THR A 44 16.954 5.874 -0.134 1.00 1.00 C ATOM 733 C THR A 44 15.988 6.403 -1.195 1.00 1.00 C ATOM 734 O THR A 44 14.968 7.013 -0.852 1.00 1.00 O ATOM 735 CB THR A 44 18.195 6.755 0.066 1.00 1.00 C ATOM 736 OG1 THR A 44 19.009 6.120 1.044 1.00 1.00 O ATOM 737 CG2 THR A 44 17.851 8.168 0.533 1.00 1.00 C ATOM 0 H THR A 44 18.402 4.522 -0.786 1.00 1.00 H new ATOM 0 HA THR A 44 16.381 5.868 0.793 1.00 1.00 H new ATOM 0 HB THR A 44 18.706 6.861 -0.891 1.00 1.00 H new ATOM 0 HG1 THR A 44 19.815 6.656 1.197 1.00 1.00 H new ATOM 0 HG21 THR A 44 18.768 8.744 0.657 1.00 1.00 H new ATOM 0 HG22 THR A 44 17.216 8.652 -0.209 1.00 1.00 H new ATOM 0 HG23 THR A 44 17.323 8.118 1.485 1.00 1.00 H new ATOM 745 N ARG A 45 16.209 6.082 -2.476 1.00 1.00 N ATOM 746 CA ARG A 45 15.224 6.353 -3.503 1.00 1.00 C ATOM 747 C ARG A 45 13.910 5.722 -3.144 1.00 1.00 C ATOM 748 O ARG A 45 12.902 6.343 -3.411 1.00 1.00 O ATOM 749 CB ARG A 45 15.673 5.793 -4.851 1.00 1.00 C ATOM 750 CG ARG A 45 14.597 5.907 -5.939 1.00 1.00 C ATOM 751 CD ARG A 45 14.399 7.337 -6.433 1.00 1.00 C ATOM 752 NE ARG A 45 15.479 7.689 -7.363 1.00 1.00 N ATOM 753 CZ ARG A 45 15.405 7.661 -8.695 1.00 1.00 C ATOM 754 NH1 ARG A 45 14.294 7.296 -9.323 1.00 1.00 N ATOM 755 NH2 ARG A 45 16.470 7.988 -9.407 1.00 1.00 N ATOM 0 H ARG A 45 17.062 5.636 -2.814 1.00 1.00 H new ATOM 0 HA ARG A 45 15.114 7.435 -3.576 1.00 1.00 H new ATOM 0 HB2 ARG A 45 16.568 6.322 -5.177 1.00 1.00 H new ATOM 0 HB3 ARG A 45 15.948 4.745 -4.729 1.00 1.00 H new ATOM 0 HG2 ARG A 45 14.871 5.272 -6.781 1.00 1.00 H new ATOM 0 HG3 ARG A 45 13.652 5.529 -5.549 1.00 1.00 H new ATOM 0 HD2 ARG A 45 13.433 7.431 -6.929 1.00 1.00 H new ATOM 0 HD3 ARG A 45 14.393 8.027 -5.589 1.00 1.00 H new ATOM 0 HE ARG A 45 16.366 7.981 -6.954 1.00 1.00 H new ATOM 0 HH11 ARG A 45 13.469 7.028 -8.786 1.00 1.00 H new ATOM 0 HH12 ARG A 45 14.265 7.284 -10.343 1.00 1.00 H new ATOM 0 HH21 ARG A 45 17.334 8.257 -8.937 1.00 1.00 H new ATOM 0 HH22 ARG A 45 16.427 7.971 -10.426 1.00 1.00 H new ATOM 769 N PHE A 46 13.890 4.519 -2.591 1.00 1.00 N ATOM 770 CA PHE A 46 12.635 3.837 -2.343 1.00 1.00 C ATOM 771 C PHE A 46 11.757 4.687 -1.426 1.00 1.00 C ATOM 772 O PHE A 46 10.577 4.869 -1.721 1.00 1.00 O ATOM 773 CB PHE A 46 12.900 2.429 -1.813 1.00 1.00 C ATOM 774 CG PHE A 46 11.920 1.948 -0.770 1.00 1.00 C ATOM 775 CD1 PHE A 46 10.553 1.884 -1.083 1.00 1.00 C ATOM 776 CD2 PHE A 46 12.367 1.569 0.506 1.00 1.00 C ATOM 777 CE1 PHE A 46 9.623 1.430 -0.139 1.00 1.00 C ATOM 778 CE2 PHE A 46 11.453 1.020 1.412 1.00 1.00 C ATOM 779 CZ PHE A 46 10.078 0.984 1.108 1.00 1.00 C ATOM 0 H PHE A 46 14.722 4.001 -2.309 1.00 1.00 H new ATOM 0 HA PHE A 46 12.079 3.711 -3.272 1.00 1.00 H new ATOM 0 HB2 PHE A 46 12.887 1.732 -2.651 1.00 1.00 H new ATOM 0 HB3 PHE A 46 13.904 2.399 -1.389 1.00 1.00 H new ATOM 0 HD1 PHE A 46 10.215 2.188 -2.062 1.00 1.00 H new ATOM 0 HD2 PHE A 46 13.402 1.699 0.784 1.00 1.00 H new ATOM 0 HE1 PHE A 46 8.568 1.424 -0.370 1.00 1.00 H new ATOM 0 HE2 PHE A 46 11.804 0.621 2.352 1.00 1.00 H new ATOM 0 HZ PHE A 46 9.374 0.612 1.838 1.00 1.00 H new ATOM 789 N GLN A 47 12.330 5.272 -0.372 1.00 1.00 N ATOM 790 CA GLN A 47 11.597 6.234 0.446 1.00 1.00 C ATOM 791 C GLN A 47 11.112 7.410 -0.411 1.00 1.00 C ATOM 792 O GLN A 47 9.956 7.804 -0.291 1.00 1.00 O ATOM 793 CB GLN A 47 12.427 6.668 1.656 1.00 1.00 C ATOM 794 CG GLN A 47 12.388 5.551 2.719 1.00 1.00 C ATOM 795 CD GLN A 47 13.612 4.663 2.640 1.00 1.00 C ATOM 796 OE1 GLN A 47 14.741 5.099 2.484 1.00 1.00 O ATOM 797 NE2 GLN A 47 13.430 3.366 2.755 1.00 1.00 N ATOM 0 H GLN A 47 13.288 5.098 -0.069 1.00 1.00 H new ATOM 0 HA GLN A 47 10.705 5.754 0.848 1.00 1.00 H new ATOM 0 HB2 GLN A 47 13.456 6.866 1.355 1.00 1.00 H new ATOM 0 HB3 GLN A 47 12.032 7.596 2.070 1.00 1.00 H new ATOM 0 HG2 GLN A 47 12.324 5.995 3.712 1.00 1.00 H new ATOM 0 HG3 GLN A 47 11.491 4.948 2.581 1.00 1.00 H new ATOM 0 HE21 GLN A 47 12.490 2.993 2.886 1.00 1.00 H new ATOM 0 HE22 GLN A 47 14.229 2.733 2.714 1.00 1.00 H new ATOM 806 N ASN A 48 11.939 7.925 -1.325 1.00 1.00 N ATOM 807 CA ASN A 48 11.559 9.038 -2.195 1.00 1.00 C ATOM 808 C ASN A 48 10.504 8.642 -3.242 1.00 1.00 C ATOM 809 O ASN A 48 9.693 9.484 -3.610 1.00 1.00 O ATOM 810 CB ASN A 48 12.797 9.657 -2.872 1.00 1.00 C ATOM 811 CG ASN A 48 13.649 10.472 -1.905 1.00 1.00 C ATOM 812 OD1 ASN A 48 13.654 11.696 -1.964 1.00 1.00 O ATOM 813 ND2 ASN A 48 14.352 9.837 -0.977 1.00 1.00 N ATOM 0 H ASN A 48 12.887 7.583 -1.481 1.00 1.00 H new ATOM 0 HA ASN A 48 11.099 9.790 -1.554 1.00 1.00 H new ATOM 0 HB2 ASN A 48 13.405 8.863 -3.305 1.00 1.00 H new ATOM 0 HB3 ASN A 48 12.475 10.296 -3.694 1.00 1.00 H new ATOM 0 HD21 ASN A 48 14.904 10.368 -0.303 1.00 1.00 H new ATOM 0 HD22 ASN A 48 14.341 8.818 -0.937 1.00 1.00 H new ATOM 820 N ALA A 49 10.470 7.389 -3.703 1.00 1.00 N ATOM 821 CA ALA A 49 9.539 6.832 -4.684 1.00 1.00 C ATOM 822 C ALA A 49 8.210 6.473 -4.018 1.00 1.00 C ATOM 823 O ALA A 49 7.159 6.509 -4.650 1.00 1.00 O ATOM 824 CB ALA A 49 10.159 5.575 -5.337 1.00 1.00 C ATOM 0 H ALA A 49 11.138 6.691 -3.378 1.00 1.00 H new ATOM 0 HA ALA A 49 9.350 7.581 -5.453 1.00 1.00 H new ATOM 0 HB1 ALA A 49 9.462 5.163 -6.067 1.00 1.00 H new ATOM 0 HB2 ALA A 49 11.090 5.846 -5.836 1.00 1.00 H new ATOM 0 HB3 ALA A 49 10.363 4.829 -4.569 1.00 1.00 H new ATOM 830 N CYS A 50 8.242 6.125 -2.733 1.00 1.00 N ATOM 831 CA CYS A 50 7.068 6.087 -1.875 1.00 1.00 C ATOM 832 C CYS A 50 6.484 7.486 -1.650 1.00 1.00 C ATOM 833 O CYS A 50 5.273 7.658 -1.538 1.00 1.00 O ATOM 834 CB CYS A 50 7.464 5.418 -0.550 1.00 1.00 C ATOM 835 SG CYS A 50 5.977 4.740 0.208 1.00 1.00 S ATOM 0 H CYS A 50 9.102 5.857 -2.254 1.00 1.00 H new ATOM 0 HA CYS A 50 6.281 5.508 -2.358 1.00 1.00 H new ATOM 0 HB2 CYS A 50 8.194 4.628 -0.727 1.00 1.00 H new ATOM 0 HB3 CYS A 50 7.933 6.142 0.116 1.00 1.00 H new ATOM 0 HG CYS A 50 5.189 4.280 -0.718 1.00 1.00 H new ATOM 841 N ARG A 51 7.355 8.487 -1.548 1.00 1.00 N ATOM 842 CA ARG A 51 7.015 9.864 -1.225 1.00 1.00 C ATOM 843 C ARG A 51 6.586 10.597 -2.482 1.00 1.00 C ATOM 844 O ARG A 51 5.838 11.555 -2.377 1.00 1.00 O ATOM 845 CB ARG A 51 8.218 10.502 -0.517 1.00 1.00 C ATOM 846 CG ARG A 51 7.942 11.894 0.051 1.00 1.00 C ATOM 847 CD ARG A 51 9.038 12.321 1.043 1.00 1.00 C ATOM 848 NE ARG A 51 10.357 12.437 0.399 1.00 1.00 N ATOM 849 CZ ARG A 51 11.522 12.685 1.010 1.00 1.00 C ATOM 850 NH1 ARG A 51 11.629 12.714 2.336 1.00 1.00 N ATOM 851 NH2 ARG A 51 12.606 12.922 0.291 1.00 1.00 N ATOM 0 H ARG A 51 8.355 8.352 -1.694 1.00 1.00 H new ATOM 0 HA ARG A 51 6.166 9.919 -0.544 1.00 1.00 H new ATOM 0 HB2 ARG A 51 8.538 9.847 0.294 1.00 1.00 H new ATOM 0 HB3 ARG A 51 9.048 10.567 -1.221 1.00 1.00 H new ATOM 0 HG2 ARG A 51 7.884 12.616 -0.763 1.00 1.00 H new ATOM 0 HG3 ARG A 51 6.974 11.899 0.551 1.00 1.00 H new ATOM 0 HD2 ARG A 51 8.768 13.278 1.490 1.00 1.00 H new ATOM 0 HD3 ARG A 51 9.094 11.595 1.854 1.00 1.00 H new ATOM 0 HE ARG A 51 10.386 12.316 -0.613 1.00 1.00 H new ATOM 0 HH11 ARG A 51 10.808 12.544 2.918 1.00 1.00 H new ATOM 0 HH12 ARG A 51 12.532 12.906 2.771 1.00 1.00 H new ATOM 0 HH21 ARG A 51 12.554 12.916 -0.728 1.00 1.00 H new ATOM 0 HH22 ARG A 51 13.494 13.111 0.755 1.00 1.00 H new ATOM 865 N ASP A 52 6.957 10.098 -3.663 1.00 1.00 N ATOM 866 CA ASP A 52 6.437 10.529 -4.958 1.00 1.00 C ATOM 867 C ASP A 52 4.919 10.457 -4.974 1.00 1.00 C ATOM 868 O ASP A 52 4.260 11.303 -5.582 1.00 1.00 O ATOM 869 CB ASP A 52 6.928 9.564 -6.037 1.00 1.00 C ATOM 870 CG ASP A 52 6.583 10.071 -7.435 1.00 1.00 C ATOM 871 OD1 ASP A 52 7.253 11.000 -7.935 1.00 1.00 O ATOM 872 OD2 ASP A 52 5.613 9.586 -8.055 1.00 1.00 O ATOM 0 H ASP A 52 7.653 9.356 -3.744 1.00 1.00 H new ATOM 0 HA ASP A 52 6.774 11.550 -5.137 1.00 1.00 H new ATOM 0 HB2 ASP A 52 8.007 9.437 -5.950 1.00 1.00 H new ATOM 0 HB3 ASP A 52 6.478 8.583 -5.882 1.00 1.00 H new ATOM 877 N GLY A 53 4.395 9.440 -4.290 1.00 1.00 N ATOM 878 CA GLY A 53 2.988 9.097 -4.271 1.00 1.00 C ATOM 879 C GLY A 53 2.884 7.625 -4.633 1.00 1.00 C ATOM 880 O GLY A 53 3.652 6.825 -4.096 1.00 1.00 O ATOM 0 H GLY A 53 4.964 8.816 -3.717 1.00 1.00 H new ATOM 0 HA2 GLY A 53 2.559 9.283 -3.286 1.00 1.00 H new ATOM 0 HA3 GLY A 53 2.432 9.709 -4.982 1.00 1.00 H new ATOM 884 N ARG A 54 1.935 7.239 -5.497 1.00 1.00 N ATOM 885 CA ARG A 54 1.729 5.829 -5.815 1.00 1.00 C ATOM 886 C ARG A 54 3.023 5.193 -6.287 1.00 1.00 C ATOM 887 O ARG A 54 3.790 5.789 -7.042 1.00 1.00 O ATOM 888 CB ARG A 54 0.576 5.611 -6.799 1.00 1.00 C ATOM 889 CG ARG A 54 0.705 6.301 -8.170 1.00 1.00 C ATOM 890 CD ARG A 54 0.890 5.309 -9.325 1.00 1.00 C ATOM 891 NE ARG A 54 2.181 4.597 -9.284 1.00 1.00 N ATOM 892 CZ ARG A 54 2.552 3.651 -10.158 1.00 1.00 C ATOM 893 NH1 ARG A 54 1.687 3.170 -11.050 1.00 1.00 N ATOM 894 NH2 ARG A 54 3.795 3.193 -10.152 1.00 1.00 N ATOM 0 H ARG A 54 1.306 7.880 -5.981 1.00 1.00 H new ATOM 0 HA ARG A 54 1.428 5.325 -4.897 1.00 1.00 H new ATOM 0 HB2 ARG A 54 0.467 4.539 -6.965 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -0.345 5.956 -6.328 1.00 1.00 H new ATOM 0 HG2 ARG A 54 -0.186 6.902 -8.353 1.00 1.00 H new ATOM 0 HG3 ARG A 54 1.552 6.986 -8.147 1.00 1.00 H new ATOM 0 HD2 ARG A 54 0.080 4.580 -9.301 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.809 5.845 -10.271 1.00 1.00 H new ATOM 0 HE ARG A 54 2.835 4.841 -8.541 1.00 1.00 H new ATOM 0 HH11 ARG A 54 0.730 3.522 -11.073 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.982 2.450 -11.710 1.00 1.00 H new ATOM 0 HH21 ARG A 54 4.471 3.560 -9.482 1.00 1.00 H new ATOM 0 HH22 ARG A 54 4.076 2.473 -10.817 1.00 1.00 H new ATOM 908 N SER A 55 3.205 3.946 -5.905 1.00 1.00 N ATOM 909 CA SER A 55 4.477 3.233 -6.052 1.00 1.00 C ATOM 910 C SER A 55 4.185 1.818 -6.561 1.00 1.00 C ATOM 911 O SER A 55 3.090 1.557 -7.054 1.00 1.00 O ATOM 912 CB SER A 55 5.241 3.236 -4.712 1.00 1.00 C ATOM 913 OG SER A 55 6.531 3.796 -4.803 1.00 1.00 O ATOM 0 H SER A 55 2.470 3.383 -5.477 1.00 1.00 H new ATOM 0 HA SER A 55 5.120 3.730 -6.779 1.00 1.00 H new ATOM 0 HB2 SER A 55 4.663 3.792 -3.974 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.323 2.212 -4.347 1.00 1.00 H new ATOM 0 HG SER A 55 6.465 4.774 -4.783 1.00 1.00 H new ATOM 919 N GLU A 56 5.160 0.911 -6.477 1.00 1.00 N ATOM 920 CA GLU A 56 5.086 -0.411 -7.095 1.00 1.00 C ATOM 921 C GLU A 56 5.739 -1.474 -6.201 1.00 1.00 C ATOM 922 O GLU A 56 6.969 -1.563 -6.140 1.00 1.00 O ATOM 923 CB GLU A 56 5.691 -0.332 -8.502 1.00 1.00 C ATOM 924 CG GLU A 56 5.404 -1.603 -9.313 1.00 1.00 C ATOM 925 CD GLU A 56 4.457 -1.339 -10.483 1.00 1.00 C ATOM 926 OE1 GLU A 56 3.254 -1.062 -10.282 1.00 1.00 O ATOM 927 OE2 GLU A 56 4.941 -1.292 -11.641 1.00 1.00 O ATOM 0 H GLU A 56 6.031 1.077 -5.973 1.00 1.00 H new ATOM 0 HA GLU A 56 4.048 -0.725 -7.200 1.00 1.00 H new ATOM 0 HB2 GLU A 56 5.285 0.534 -9.025 1.00 1.00 H new ATOM 0 HB3 GLU A 56 6.768 -0.183 -8.428 1.00 1.00 H new ATOM 0 HG2 GLU A 56 6.342 -2.010 -9.691 1.00 1.00 H new ATOM 0 HG3 GLU A 56 4.969 -2.359 -8.659 1.00 1.00 H new ATOM 934 N ILE A 57 4.935 -2.259 -5.473 1.00 1.00 N ATOM 935 CA ILE A 57 5.403 -3.246 -4.492 1.00 1.00 C ATOM 936 C ILE A 57 4.604 -4.531 -4.677 1.00 1.00 C ATOM 937 O ILE A 57 3.394 -4.495 -4.851 1.00 1.00 O ATOM 938 CB ILE A 57 5.307 -2.721 -3.035 1.00 1.00 C ATOM 939 CG1 ILE A 57 5.901 -1.301 -2.918 1.00 1.00 C ATOM 940 CG2 ILE A 57 6.017 -3.685 -2.058 1.00 1.00 C ATOM 941 CD1 ILE A 57 6.148 -0.826 -1.485 1.00 1.00 C ATOM 0 H ILE A 57 3.919 -2.225 -5.551 1.00 1.00 H new ATOM 0 HA ILE A 57 6.461 -3.442 -4.667 1.00 1.00 H new ATOM 0 HB ILE A 57 4.252 -2.672 -2.766 1.00 1.00 H new ATOM 0 HG12 ILE A 57 6.844 -1.271 -3.464 1.00 1.00 H new ATOM 0 HG13 ILE A 57 5.227 -0.599 -3.408 1.00 1.00 H new ATOM 0 HG21 ILE A 57 5.937 -3.297 -1.042 1.00 1.00 H new ATOM 0 HG22 ILE A 57 5.547 -4.667 -2.110 1.00 1.00 H new ATOM 0 HG23 ILE A 57 7.068 -3.771 -2.332 1.00 1.00 H new ATOM 0 HD11 ILE A 57 6.566 0.181 -1.502 1.00 1.00 H new ATOM 0 HD12 ILE A 57 5.206 -0.819 -0.937 1.00 1.00 H new ATOM 0 HD13 ILE A 57 6.849 -1.501 -0.994 1.00 1.00 H new ATOM 953 N ALA A 58 5.282 -5.669 -4.622 1.00 1.00 N ATOM 954 CA ALA A 58 4.739 -6.986 -4.870 1.00 1.00 C ATOM 955 C ALA A 58 4.638 -7.787 -3.575 1.00 1.00 C ATOM 956 O ALA A 58 5.268 -7.437 -2.575 1.00 1.00 O ATOM 957 CB ALA A 58 5.632 -7.740 -5.867 1.00 1.00 C ATOM 0 H ALA A 58 6.275 -5.694 -4.391 1.00 1.00 H new ATOM 0 HA ALA A 58 3.739 -6.868 -5.287 1.00 1.00 H new ATOM 0 HB1 ALA A 58 5.217 -8.731 -6.049 1.00 1.00 H new ATOM 0 HB2 ALA A 58 5.677 -7.187 -6.805 1.00 1.00 H new ATOM 0 HB3 ALA A 58 6.636 -7.837 -5.455 1.00 1.00 H new ATOM 963 N PHE A 59 3.929 -8.919 -3.616 1.00 1.00 N ATOM 964 CA PHE A 59 4.084 -9.971 -2.611 1.00 1.00 C ATOM 965 C PHE A 59 5.121 -10.984 -3.067 1.00 1.00 C ATOM 966 O PHE A 59 5.332 -11.146 -4.266 1.00 1.00 O ATOM 967 CB PHE A 59 2.739 -10.674 -2.273 1.00 1.00 C ATOM 968 CG PHE A 59 1.900 -9.836 -1.363 1.00 1.00 C ATOM 969 CD1 PHE A 59 1.254 -8.707 -1.892 1.00 1.00 C ATOM 970 CD2 PHE A 59 1.844 -10.144 0.006 1.00 1.00 C ATOM 971 CE1 PHE A 59 0.595 -7.838 -0.989 1.00 1.00 C ATOM 972 CE2 PHE A 59 1.189 -9.276 0.885 1.00 1.00 C ATOM 973 CZ PHE A 59 0.581 -8.111 0.391 1.00 1.00 C ATOM 0 H PHE A 59 3.240 -9.129 -4.338 1.00 1.00 H new ATOM 0 HA PHE A 59 4.428 -9.494 -1.693 1.00 1.00 H new ATOM 0 HB2 PHE A 59 2.191 -10.876 -3.193 1.00 1.00 H new ATOM 0 HB3 PHE A 59 2.938 -11.637 -1.803 1.00 1.00 H new ATOM 0 HD1 PHE A 59 1.260 -8.508 -2.953 1.00 1.00 H new ATOM 0 HD2 PHE A 59 2.305 -11.047 0.378 1.00 1.00 H new ATOM 0 HE1 PHE A 59 0.098 -6.956 -1.364 1.00 1.00 H new ATOM 0 HE2 PHE A 59 1.151 -9.501 1.941 1.00 1.00 H new ATOM 0 HZ PHE A 59 0.102 -7.423 1.072 1.00 1.00 H new ATOM 983 N VAL A 60 5.704 -11.711 -2.116 1.00 1.00 N ATOM 984 CA VAL A 60 6.518 -12.901 -2.349 1.00 1.00 C ATOM 985 C VAL A 60 5.640 -14.140 -2.158 1.00 1.00 C ATOM 986 O VAL A 60 5.706 -15.072 -2.956 1.00 1.00 O ATOM 987 CB VAL A 60 7.723 -12.896 -1.382 1.00 1.00 C ATOM 988 CG1 VAL A 60 8.583 -14.152 -1.519 1.00 1.00 C ATOM 989 CG2 VAL A 60 8.612 -11.672 -1.623 1.00 1.00 C ATOM 0 H VAL A 60 5.619 -11.479 -1.126 1.00 1.00 H new ATOM 0 HA VAL A 60 6.910 -12.911 -3.366 1.00 1.00 H new ATOM 0 HB VAL A 60 7.304 -12.866 -0.376 1.00 1.00 H new ATOM 0 HG11 VAL A 60 9.417 -14.100 -0.819 1.00 1.00 H new ATOM 0 HG12 VAL A 60 7.979 -15.032 -1.300 1.00 1.00 H new ATOM 0 HG13 VAL A 60 8.968 -14.220 -2.537 1.00 1.00 H new ATOM 0 HG21 VAL A 60 9.453 -11.691 -0.930 1.00 1.00 H new ATOM 0 HG22 VAL A 60 8.985 -11.689 -2.647 1.00 1.00 H new ATOM 0 HG23 VAL A 60 8.031 -10.763 -1.463 1.00 1.00 H new ATOM 999 N ALA A 61 4.779 -14.139 -1.134 1.00 1.00 N ATOM 1000 CA ALA A 61 4.006 -15.294 -0.679 1.00 1.00 C ATOM 1001 C ALA A 61 3.239 -15.990 -1.797 1.00 1.00 C ATOM 1002 O ALA A 61 3.086 -17.211 -1.792 1.00 1.00 O ATOM 1003 CB ALA A 61 3.045 -14.840 0.416 1.00 1.00 C ATOM 0 H ALA A 61 4.597 -13.302 -0.581 1.00 1.00 H new ATOM 0 HA ALA A 61 4.712 -16.031 -0.297 1.00 1.00 H new ATOM 0 HB1 ALA A 61 2.462 -15.692 0.765 1.00 1.00 H new ATOM 0 HB2 ALA A 61 3.612 -14.424 1.248 1.00 1.00 H new ATOM 0 HB3 ALA A 61 2.373 -14.079 0.018 1.00 1.00 H new ATOM 1009 N THR A 62 2.707 -15.212 -2.736 1.00 1.00 N ATOM 1010 CA THR A 62 1.955 -15.691 -3.870 1.00 1.00 C ATOM 1011 C THR A 62 2.285 -14.890 -5.150 1.00 1.00 C ATOM 1012 O THR A 62 1.900 -15.293 -6.253 1.00 1.00 O ATOM 1013 CB THR A 62 0.505 -15.635 -3.398 1.00 1.00 C ATOM 1014 OG1 THR A 62 0.319 -16.536 -2.321 1.00 1.00 O ATOM 1015 CG2 THR A 62 -0.474 -16.056 -4.459 1.00 1.00 C ATOM 0 H THR A 62 2.796 -14.196 -2.719 1.00 1.00 H new ATOM 0 HA THR A 62 2.202 -16.708 -4.176 1.00 1.00 H new ATOM 0 HB THR A 62 0.322 -14.597 -3.121 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.612 -16.497 -2.019 1.00 1.00 H new ATOM 0 HG21 THR A 62 -1.488 -15.995 -4.063 1.00 1.00 H new ATOM 0 HG22 THR A 62 -0.381 -15.397 -5.322 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.264 -17.082 -4.762 1.00 1.00 H new ATOM 1023 N GLY A 63 3.061 -13.804 -5.041 1.00 1.00 N ATOM 1024 CA GLY A 63 3.750 -13.207 -6.175 1.00 1.00 C ATOM 1025 C GLY A 63 2.845 -12.328 -7.007 1.00 1.00 C ATOM 1026 O GLY A 63 2.514 -12.691 -8.138 1.00 1.00 O ATOM 0 H GLY A 63 3.224 -13.319 -4.159 1.00 1.00 H new ATOM 0 HA2 GLY A 63 4.592 -12.617 -5.814 1.00 1.00 H new ATOM 0 HA3 GLY A 63 4.161 -13.997 -6.803 1.00 1.00 H new ATOM 1030 N THR A 64 2.458 -11.171 -6.478 1.00 1.00 N ATOM 1031 CA THR A 64 1.610 -10.236 -7.191 1.00 1.00 C ATOM 1032 C THR A 64 2.266 -8.881 -7.114 1.00 1.00 C ATOM 1033 O THR A 64 2.288 -8.309 -6.029 1.00 1.00 O ATOM 1034 CB THR A 64 0.236 -10.268 -6.529 1.00 1.00 C ATOM 1035 OG1 THR A 64 -0.327 -11.525 -6.819 1.00 1.00 O ATOM 1036 CG2 THR A 64 -0.714 -9.144 -6.942 1.00 1.00 C ATOM 0 H THR A 64 2.726 -10.860 -5.544 1.00 1.00 H new ATOM 0 HA THR A 64 1.481 -10.487 -8.244 1.00 1.00 H new ATOM 0 HB THR A 64 0.378 -10.107 -5.460 1.00 1.00 H new ATOM 0 HG1 THR A 64 -1.215 -11.588 -6.409 1.00 1.00 H new ATOM 0 HG21 THR A 64 -1.662 -9.257 -6.416 1.00 1.00 H new ATOM 0 HG22 THR A 64 -0.271 -8.181 -6.688 1.00 1.00 H new ATOM 0 HG23 THR A 64 -0.888 -9.191 -8.017 1.00 1.00 H new ATOM 1044 N ASN A 65 2.815 -8.415 -8.235 1.00 1.00 N ATOM 1045 CA ASN A 65 3.102 -7.016 -8.495 1.00 1.00 C ATOM 1046 C ASN A 65 1.805 -6.234 -8.325 1.00 1.00 C ATOM 1047 O ASN A 65 0.753 -6.665 -8.805 1.00 1.00 O ATOM 1048 CB ASN A 65 3.697 -6.845 -9.902 1.00 1.00 C ATOM 1049 CG ASN A 65 4.010 -5.400 -10.288 1.00 1.00 C ATOM 1050 OD1 ASN A 65 3.808 -4.468 -9.528 1.00 1.00 O ATOM 1051 ND2 ASN A 65 4.561 -5.189 -11.469 1.00 1.00 N ATOM 0 H ASN A 65 3.079 -9.025 -9.009 1.00 1.00 H new ATOM 0 HA ASN A 65 3.845 -6.635 -7.794 1.00 1.00 H new ATOM 0 HB2 ASN A 65 4.613 -7.432 -9.969 1.00 1.00 H new ATOM 0 HB3 ASN A 65 2.999 -7.259 -10.630 1.00 1.00 H new ATOM 0 HD21 ASN A 65 4.820 -4.243 -11.749 1.00 1.00 H new ATOM 0 HD22 ASN A 65 4.728 -5.972 -12.101 1.00 1.00 H new ATOM 1058 N LEU A 66 1.865 -5.140 -7.581 1.00 1.00 N ATOM 1059 CA LEU A 66 0.742 -4.345 -7.148 1.00 1.00 C ATOM 1060 C LEU A 66 1.252 -2.903 -7.128 1.00 1.00 C ATOM 1061 O LEU A 66 2.338 -2.613 -6.623 1.00 1.00 O ATOM 1062 CB LEU A 66 0.264 -4.974 -5.826 1.00 1.00 C ATOM 1063 CG LEU A 66 -0.652 -4.145 -4.928 1.00 1.00 C ATOM 1064 CD1 LEU A 66 -1.159 -5.050 -3.800 1.00 1.00 C ATOM 1065 CD2 LEU A 66 0.083 -2.957 -4.326 1.00 1.00 C ATOM 0 H LEU A 66 2.754 -4.768 -7.248 1.00 1.00 H new ATOM 0 HA LEU A 66 -0.145 -4.326 -7.781 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -0.255 -5.902 -6.066 1.00 1.00 H new ATOM 0 HB3 LEU A 66 1.147 -5.243 -5.246 1.00 1.00 H new ATOM 0 HG LEU A 66 -1.478 -3.758 -5.525 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -1.817 -4.480 -3.144 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -1.710 -5.889 -4.226 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -0.312 -5.426 -3.227 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -0.599 -2.390 -3.693 1.00 1.00 H new ATOM 0 HD22 LEU A 66 0.922 -3.313 -3.728 1.00 1.00 H new ATOM 0 HD23 LEU A 66 0.454 -2.316 -5.125 1.00 1.00 H new ATOM 1077 N SER A 67 0.490 -1.983 -7.707 1.00 1.00 N ATOM 1078 CA SER A 67 0.836 -0.579 -7.701 1.00 1.00 C ATOM 1079 C SER A 67 0.229 -0.005 -6.434 1.00 1.00 C ATOM 1080 O SER A 67 -0.997 0.093 -6.314 1.00 1.00 O ATOM 1081 CB SER A 67 0.307 0.122 -8.943 1.00 1.00 C ATOM 1082 OG SER A 67 0.724 -0.535 -10.126 1.00 1.00 O ATOM 0 H SER A 67 -0.382 -2.195 -8.191 1.00 1.00 H new ATOM 0 HA SER A 67 1.916 -0.435 -7.717 1.00 1.00 H new ATOM 0 HB2 SER A 67 -0.782 0.154 -8.908 1.00 1.00 H new ATOM 0 HB3 SER A 67 0.656 1.154 -8.956 1.00 1.00 H new ATOM 0 HG SER A 67 1.648 -0.845 -10.020 1.00 1.00 H new ATOM 1088 N LEU A 68 1.076 0.258 -5.445 1.00 1.00 N ATOM 1089 CA LEU A 68 0.650 0.679 -4.124 1.00 1.00 C ATOM 1090 C LEU A 68 0.190 2.117 -4.236 1.00 1.00 C ATOM 1091 O LEU A 68 0.907 2.937 -4.798 1.00 1.00 O ATOM 1092 CB LEU A 68 1.813 0.615 -3.131 1.00 1.00 C ATOM 1093 CG LEU A 68 1.660 -0.407 -2.003 1.00 1.00 C ATOM 1094 CD1 LEU A 68 2.749 -0.114 -0.982 1.00 1.00 C ATOM 1095 CD2 LEU A 68 0.306 -0.340 -1.309 1.00 1.00 C ATOM 0 H LEU A 68 2.088 0.183 -5.544 1.00 1.00 H new ATOM 0 HA LEU A 68 -0.145 0.024 -3.768 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.726 0.389 -3.682 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.944 1.602 -2.688 1.00 1.00 H new ATOM 0 HG LEU A 68 1.741 -1.405 -2.433 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.675 -0.823 -0.158 1.00 1.00 H new ATOM 0 HD12 LEU A 68 3.726 -0.208 -1.455 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.627 0.900 -0.601 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.264 -1.091 -0.520 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.168 0.650 -0.875 1.00 1.00 H new ATOM 0 HD23 LEU A 68 -0.485 -0.532 -2.035 1.00 1.00 H new ATOM 1107 N GLN A 69 -0.973 2.447 -3.698 1.00 1.00 N ATOM 1108 CA GLN A 69 -1.572 3.752 -3.911 1.00 1.00 C ATOM 1109 C GLN A 69 -1.580 4.499 -2.576 1.00 1.00 C ATOM 1110 O GLN A 69 -2.178 4.009 -1.622 1.00 1.00 O ATOM 1111 CB GLN A 69 -3.018 3.539 -4.406 1.00 1.00 C ATOM 1112 CG GLN A 69 -3.154 2.711 -5.699 1.00 1.00 C ATOM 1113 CD GLN A 69 -4.210 1.595 -5.625 1.00 1.00 C ATOM 1114 OE1 GLN A 69 -5.326 1.782 -5.137 1.00 1.00 O ATOM 1115 NE2 GLN A 69 -3.910 0.415 -6.146 1.00 1.00 N ATOM 0 H GLN A 69 -1.523 1.824 -3.107 1.00 1.00 H new ATOM 0 HA GLN A 69 -1.014 4.330 -4.647 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.586 3.047 -3.617 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.477 4.514 -4.568 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.406 3.381 -6.521 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -2.187 2.266 -5.936 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -2.987 0.256 -6.551 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -4.602 -0.335 -6.142 1.00 1.00 H new ATOM 1124 N PHE A 70 -0.923 5.661 -2.467 1.00 1.00 N ATOM 1125 CA PHE A 70 -0.820 6.359 -1.181 1.00 1.00 C ATOM 1126 C PHE A 70 -1.694 7.599 -1.174 1.00 1.00 C ATOM 1127 O PHE A 70 -1.273 8.668 -0.752 1.00 1.00 O ATOM 1128 CB PHE A 70 0.642 6.739 -0.893 1.00 1.00 C ATOM 1129 CG PHE A 70 1.573 5.556 -0.859 1.00 1.00 C ATOM 1130 CD1 PHE A 70 2.069 5.101 -2.075 1.00 1.00 C ATOM 1131 CD2 PHE A 70 1.879 4.851 0.313 1.00 1.00 C ATOM 1132 CE1 PHE A 70 2.807 3.926 -2.161 1.00 1.00 C ATOM 1133 CE2 PHE A 70 2.716 3.726 0.255 1.00 1.00 C ATOM 1134 CZ PHE A 70 3.182 3.261 -0.987 1.00 1.00 C ATOM 0 H PHE A 70 -0.460 6.132 -3.244 1.00 1.00 H new ATOM 0 HA PHE A 70 -1.168 5.686 -0.398 1.00 1.00 H new ATOM 0 HB2 PHE A 70 0.984 7.439 -1.655 1.00 1.00 H new ATOM 0 HB3 PHE A 70 0.693 7.259 0.064 1.00 1.00 H new ATOM 0 HD1 PHE A 70 1.877 5.672 -2.971 1.00 1.00 H new ATOM 0 HD2 PHE A 70 1.471 5.173 1.260 1.00 1.00 H new ATOM 0 HE1 PHE A 70 3.089 3.529 -3.125 1.00 1.00 H new ATOM 0 HE2 PHE A 70 3.002 3.218 1.164 1.00 1.00 H new ATOM 0 HZ PHE A 70 3.826 2.395 -1.036 1.00 1.00 H new ATOM 1144 N PHE A 71 -2.963 7.435 -1.497 1.00 1.00 N ATOM 1145 CA PHE A 71 -3.930 8.504 -1.607 1.00 1.00 C ATOM 1146 C PHE A 71 -4.953 8.279 -0.497 1.00 1.00 C ATOM 1147 O PHE A 71 -5.865 7.462 -0.666 1.00 1.00 O ATOM 1148 CB PHE A 71 -4.536 8.511 -3.007 1.00 1.00 C ATOM 1149 CG PHE A 71 -3.681 9.150 -4.083 1.00 1.00 C ATOM 1150 CD1 PHE A 71 -2.666 8.414 -4.721 1.00 1.00 C ATOM 1151 CD2 PHE A 71 -3.948 10.467 -4.497 1.00 1.00 C ATOM 1152 CE1 PHE A 71 -1.922 8.999 -5.762 1.00 1.00 C ATOM 1153 CE2 PHE A 71 -3.209 11.052 -5.538 1.00 1.00 C ATOM 1154 CZ PHE A 71 -2.193 10.317 -6.170 1.00 1.00 C ATOM 0 H PHE A 71 -3.361 6.517 -1.697 1.00 1.00 H new ATOM 0 HA PHE A 71 -3.484 9.490 -1.479 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.747 7.482 -3.298 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.492 9.034 -2.968 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -2.458 7.400 -4.412 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -4.728 11.033 -4.010 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.141 8.434 -6.249 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -3.421 12.063 -5.851 1.00 1.00 H new ATOM 0 HZ PHE A 71 -1.620 10.764 -6.969 1.00 1.00 H new ATOM 1164 N PRO A 72 -4.793 8.946 0.660 1.00 1.00 N ATOM 1165 CA PRO A 72 -5.762 8.866 1.737 1.00 1.00 C ATOM 1166 C PRO A 72 -7.001 9.668 1.328 1.00 1.00 C ATOM 1167 O PRO A 72 -7.105 10.141 0.195 1.00 1.00 O ATOM 1168 CB PRO A 72 -5.039 9.450 2.952 1.00 1.00 C ATOM 1169 CG PRO A 72 -4.125 10.509 2.342 1.00 1.00 C ATOM 1170 CD PRO A 72 -3.771 9.940 0.973 1.00 1.00 C ATOM 0 HA PRO A 72 -6.110 7.858 1.963 1.00 1.00 H new ATOM 0 HB2 PRO A 72 -5.739 9.885 3.665 1.00 1.00 H new ATOM 0 HB3 PRO A 72 -4.471 8.688 3.487 1.00 1.00 H new ATOM 0 HG2 PRO A 72 -4.629 11.472 2.257 1.00 1.00 H new ATOM 0 HG3 PRO A 72 -3.235 10.668 2.951 1.00 1.00 H new ATOM 0 HD2 PRO A 72 -3.752 10.727 0.219 1.00 1.00 H new ATOM 0 HD3 PRO A 72 -2.780 9.486 0.986 1.00 1.00 H new ATOM 1178 N ALA A 73 -7.934 9.882 2.254 1.00 1.00 N ATOM 1179 CA ALA A 73 -9.073 10.742 1.967 1.00 1.00 C ATOM 1180 C ALA A 73 -8.652 12.193 1.680 1.00 1.00 C ATOM 1181 O ALA A 73 -9.426 12.913 1.050 1.00 1.00 O ATOM 1182 CB ALA A 73 -10.089 10.666 3.100 1.00 1.00 C ATOM 0 H ALA A 73 -7.923 9.479 3.191 1.00 1.00 H new ATOM 0 HA ALA A 73 -9.544 10.376 1.055 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.936 11.314 2.873 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -10.437 9.639 3.209 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -9.622 10.991 4.030 1.00 1.00 H new ATOM 1188 N SER A 74 -7.446 12.622 2.071 1.00 1.00 N ATOM 1189 CA SER A 74 -6.883 13.920 1.698 1.00 1.00 C ATOM 1190 C SER A 74 -6.211 13.913 0.313 1.00 1.00 C ATOM 1191 O SER A 74 -5.824 14.986 -0.155 1.00 1.00 O ATOM 1192 CB SER A 74 -5.870 14.362 2.766 1.00 1.00 C ATOM 1193 OG SER A 74 -5.810 15.772 2.864 1.00 1.00 O ATOM 0 H SER A 74 -6.827 12.068 2.663 1.00 1.00 H new ATOM 0 HA SER A 74 -7.712 14.625 1.640 1.00 1.00 H new ATOM 0 HB2 SER A 74 -6.148 13.940 3.731 1.00 1.00 H new ATOM 0 HB3 SER A 74 -4.883 13.970 2.519 1.00 1.00 H new ATOM 0 HG SER A 74 -5.159 16.025 3.552 1.00 1.00 H new ATOM 1199 N TRP A 75 -6.072 12.760 -0.360 1.00 1.00 N ATOM 1200 CA TRP A 75 -5.350 12.583 -1.611 1.00 1.00 C ATOM 1201 C TRP A 75 -3.905 13.114 -1.521 1.00 1.00 C ATOM 1202 O TRP A 75 -3.382 13.271 -0.414 1.00 1.00 O ATOM 1203 CB TRP A 75 -6.247 13.084 -2.754 1.00 1.00 C ATOM 1204 CG TRP A 75 -7.421 12.183 -3.043 1.00 1.00 C ATOM 1205 CD1 TRP A 75 -8.365 11.762 -2.170 1.00 1.00 C ATOM 1206 CD2 TRP A 75 -7.742 11.511 -4.289 1.00 1.00 C ATOM 1207 NE1 TRP A 75 -9.236 10.888 -2.790 1.00 1.00 N ATOM 1208 CE2 TRP A 75 -8.912 10.721 -4.115 1.00 1.00 C ATOM 1209 CE3 TRP A 75 -7.115 11.465 -5.543 1.00 1.00 C ATOM 1210 CZ2 TRP A 75 -9.458 9.953 -5.153 1.00 1.00 C ATOM 1211 CZ3 TRP A 75 -7.635 10.689 -6.594 1.00 1.00 C ATOM 1212 CH2 TRP A 75 -8.815 9.944 -6.400 1.00 1.00 C ATOM 0 H TRP A 75 -6.483 11.889 -0.023 1.00 1.00 H new ATOM 0 HA TRP A 75 -5.161 11.535 -1.842 1.00 1.00 H new ATOM 0 HB2 TRP A 75 -6.617 14.079 -2.505 1.00 1.00 H new ATOM 0 HB3 TRP A 75 -5.646 13.184 -3.658 1.00 1.00 H new ATOM 0 HD1 TRP A 75 -8.428 12.066 -1.136 1.00 1.00 H new ATOM 0 HE1 TRP A 75 -10.018 10.427 -2.325 1.00 1.00 H new ATOM 0 HE3 TRP A 75 -6.214 12.038 -5.705 1.00 1.00 H new ATOM 0 HZ2 TRP A 75 -10.358 9.378 -4.995 1.00 1.00 H new ATOM 0 HZ3 TRP A 75 -7.131 10.664 -7.549 1.00 1.00 H new ATOM 0 HH2 TRP A 75 -9.226 9.364 -7.213 1.00 1.00 H new ATOM 1223 N GLN A 76 -3.187 13.235 -2.643 1.00 1.00 N ATOM 1224 CA GLN A 76 -1.790 13.658 -2.690 1.00 1.00 C ATOM 1225 C GLN A 76 -1.599 14.588 -3.897 1.00 1.00 C ATOM 1226 O GLN A 76 -1.684 15.812 -3.764 1.00 1.00 O ATOM 1227 CB GLN A 76 -0.848 12.436 -2.779 1.00 1.00 C ATOM 1228 CG GLN A 76 -0.860 11.437 -1.624 1.00 1.00 C ATOM 1229 CD GLN A 76 -0.162 11.885 -0.342 1.00 1.00 C ATOM 1230 OE1 GLN A 76 1.016 11.617 -0.127 1.00 1.00 O ATOM 1231 NE2 GLN A 76 -0.854 12.552 0.564 1.00 1.00 N ATOM 0 H GLN A 76 -3.575 13.035 -3.565 1.00 1.00 H new ATOM 0 HA GLN A 76 -1.539 14.194 -1.775 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.090 11.893 -3.693 1.00 1.00 H new ATOM 0 HB3 GLN A 76 0.171 12.807 -2.889 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -1.897 11.201 -1.386 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.393 10.513 -1.964 1.00 1.00 H new ATOM 0 HE21 GLN A 76 -1.834 12.779 0.393 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -0.409 12.841 1.435 1.00 1.00 H new ATOM 1240 N GLY A 77 -1.333 13.997 -5.067 1.00 1.00 N ATOM 1241 CA GLY A 77 -0.906 14.686 -6.266 1.00 1.00 C ATOM 1242 C GLY A 77 0.516 15.224 -6.122 1.00 1.00 C ATOM 1243 O GLY A 77 0.673 16.403 -5.809 1.00 1.00 O ATOM 0 H GLY A 77 -1.415 12.989 -5.198 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -0.955 14.005 -7.116 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -1.589 15.509 -6.477 1.00 1.00 H new ATOM 1247 N GLU A 78 1.512 14.376 -6.414 1.00 1.00 N ATOM 1248 CA GLU A 78 2.951 14.651 -6.542 1.00 1.00 C ATOM 1249 C GLU A 78 3.661 14.946 -5.216 1.00 1.00 C ATOM 1250 O GLU A 78 3.312 15.870 -4.481 1.00 1.00 O ATOM 1251 CB GLU A 78 3.218 15.728 -7.607 1.00 1.00 C ATOM 1252 CG GLU A 78 4.697 16.134 -7.793 1.00 1.00 C ATOM 1253 CD GLU A 78 5.044 17.486 -7.144 1.00 1.00 C ATOM 1254 OE1 GLU A 78 4.326 18.479 -7.420 1.00 1.00 O ATOM 1255 OE2 GLU A 78 6.067 17.579 -6.428 1.00 1.00 O ATOM 0 H GLU A 78 1.313 13.390 -6.582 1.00 1.00 H new ATOM 0 HA GLU A 78 3.402 13.720 -6.885 1.00 1.00 H new ATOM 0 HB2 GLU A 78 2.836 15.370 -8.563 1.00 1.00 H new ATOM 0 HB3 GLU A 78 2.646 16.619 -7.348 1.00 1.00 H new ATOM 0 HG2 GLU A 78 5.335 15.360 -7.367 1.00 1.00 H new ATOM 0 HG3 GLU A 78 4.922 16.182 -8.858 1.00 1.00 H new ATOM 1262 N GLN A 79 4.702 14.153 -4.959 1.00 1.00 N ATOM 1263 CA GLN A 79 5.710 14.295 -3.917 1.00 1.00 C ATOM 1264 C GLN A 79 5.135 14.626 -2.531 1.00 1.00 C ATOM 1265 O GLN A 79 5.608 15.540 -1.850 1.00 1.00 O ATOM 1266 CB GLN A 79 6.836 15.236 -4.361 1.00 1.00 C ATOM 1267 CG GLN A 79 8.149 14.851 -3.652 1.00 1.00 C ATOM 1268 CD GLN A 79 8.880 16.066 -3.111 1.00 1.00 C ATOM 1269 OE1 GLN A 79 10.022 16.340 -3.490 1.00 1.00 O ATOM 1270 NE2 GLN A 79 8.272 16.780 -2.181 1.00 1.00 N ATOM 0 H GLN A 79 4.873 13.323 -5.527 1.00 1.00 H new ATOM 0 HA GLN A 79 6.156 13.310 -3.778 1.00 1.00 H new ATOM 0 HB2 GLN A 79 6.965 15.178 -5.442 1.00 1.00 H new ATOM 0 HB3 GLN A 79 6.574 16.268 -4.126 1.00 1.00 H new ATOM 0 HG2 GLN A 79 7.931 14.165 -2.834 1.00 1.00 H new ATOM 0 HG3 GLN A 79 8.796 14.320 -4.350 1.00 1.00 H new ATOM 0 HE21 GLN A 79 7.328 16.533 -1.885 1.00 1.00 H new ATOM 0 HE22 GLN A 79 8.747 17.578 -1.759 1.00 1.00 H new ATOM 1279 N ARG A 80 4.174 13.800 -2.115 1.00 1.00 N ATOM 1280 CA ARG A 80 3.375 13.780 -0.898 1.00 1.00 C ATOM 1281 C ARG A 80 2.604 15.058 -0.596 1.00 1.00 C ATOM 1282 O ARG A 80 3.028 16.161 -0.935 1.00 1.00 O ATOM 1283 CB ARG A 80 4.179 13.275 0.316 1.00 1.00 C ATOM 1284 CG ARG A 80 5.244 14.239 0.879 1.00 1.00 C ATOM 1285 CD ARG A 80 5.523 14.007 2.373 1.00 1.00 C ATOM 1286 NE ARG A 80 4.605 14.804 3.203 1.00 1.00 N ATOM 1287 CZ ARG A 80 4.736 15.142 4.490 1.00 1.00 C ATOM 1288 NH1 ARG A 80 5.656 14.566 5.249 1.00 1.00 N ATOM 1289 NH2 ARG A 80 3.920 16.052 5.011 1.00 1.00 N ATOM 0 H ARG A 80 3.904 13.020 -2.714 1.00 1.00 H new ATOM 0 HA ARG A 80 2.592 13.051 -1.106 1.00 1.00 H new ATOM 0 HB2 ARG A 80 3.478 13.035 1.115 1.00 1.00 H new ATOM 0 HB3 ARG A 80 4.673 12.345 0.036 1.00 1.00 H new ATOM 0 HG2 ARG A 80 6.170 14.119 0.318 1.00 1.00 H new ATOM 0 HG3 ARG A 80 4.913 15.267 0.731 1.00 1.00 H new ATOM 0 HD2 ARG A 80 5.409 12.949 2.609 1.00 1.00 H new ATOM 0 HD3 ARG A 80 6.554 14.276 2.602 1.00 1.00 H new ATOM 0 HE ARG A 80 3.762 15.141 2.737 1.00 1.00 H new ATOM 0 HH11 ARG A 80 6.273 13.857 4.853 1.00 1.00 H new ATOM 0 HH12 ARG A 80 5.747 14.831 6.230 1.00 1.00 H new ATOM 0 HH21 ARG A 80 3.202 16.485 4.430 1.00 1.00 H new ATOM 0 HH22 ARG A 80 4.011 16.317 5.992 1.00 1.00 H new ATOM 1303 N GLN A 81 1.506 14.892 0.146 1.00 1.00 N ATOM 1304 CA GLN A 81 0.905 15.988 0.883 1.00 1.00 C ATOM 1305 C GLN A 81 1.179 15.740 2.357 1.00 1.00 C ATOM 1306 O GLN A 81 2.254 16.131 2.796 1.00 1.00 O ATOM 1307 CB GLN A 81 -0.547 16.269 0.461 1.00 1.00 C ATOM 1308 CG GLN A 81 -0.989 17.667 0.926 1.00 1.00 C ATOM 1309 CD GLN A 81 -0.118 18.782 0.339 1.00 1.00 C ATOM 1310 OE1 GLN A 81 0.912 19.155 0.902 1.00 1.00 O ATOM 1311 NE2 GLN A 81 -0.450 19.277 -0.839 1.00 1.00 N ATOM 0 H GLN A 81 1.019 14.002 0.247 1.00 1.00 H new ATOM 0 HA GLN A 81 1.361 16.947 0.638 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -0.636 16.196 -0.623 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -1.207 15.513 0.887 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -2.027 17.831 0.637 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -0.949 17.714 2.014 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -1.304 18.965 -1.301 1.00 1.00 H new ATOM 0 HE22 GLN A 81 0.148 19.972 -1.287 1.00 1.00 H new ATOM 1320 N THR A 82 0.335 15.002 3.085 1.00 1.00 N ATOM 1321 CA THR A 82 0.642 14.566 4.455 1.00 1.00 C ATOM 1322 C THR A 82 0.160 13.124 4.702 1.00 1.00 C ATOM 1323 O THR A 82 -0.956 12.915 5.172 1.00 1.00 O ATOM 1324 CB THR A 82 0.087 15.586 5.468 1.00 1.00 C ATOM 1325 OG1 THR A 82 0.669 16.849 5.223 1.00 1.00 O ATOM 1326 CG2 THR A 82 0.415 15.235 6.918 1.00 1.00 C ATOM 0 H THR A 82 -0.575 14.691 2.746 1.00 1.00 H new ATOM 0 HA THR A 82 1.723 14.539 4.595 1.00 1.00 H new ATOM 0 HB THR A 82 -0.995 15.583 5.338 1.00 1.00 H new ATOM 0 HG1 THR A 82 0.317 17.501 5.864 1.00 1.00 H new ATOM 0 HG21 THR A 82 -0.004 15.993 7.580 1.00 1.00 H new ATOM 0 HG22 THR A 82 -0.013 14.263 7.163 1.00 1.00 H new ATOM 0 HG23 THR A 82 1.497 15.198 7.048 1.00 1.00 H new ATOM 1334 N PRO A 83 0.966 12.106 4.359 1.00 1.00 N ATOM 1335 CA PRO A 83 0.835 10.748 4.893 1.00 1.00 C ATOM 1336 C PRO A 83 1.025 10.715 6.420 1.00 1.00 C ATOM 1337 O PRO A 83 1.510 11.681 7.016 1.00 1.00 O ATOM 1338 CB PRO A 83 1.949 9.935 4.214 1.00 1.00 C ATOM 1339 CG PRO A 83 2.357 10.779 3.009 1.00 1.00 C ATOM 1340 CD PRO A 83 2.112 12.201 3.481 1.00 1.00 C ATOM 0 HA PRO A 83 -0.160 10.348 4.696 1.00 1.00 H new ATOM 0 HB2 PRO A 83 2.790 9.773 4.888 1.00 1.00 H new ATOM 0 HB3 PRO A 83 1.592 8.952 3.908 1.00 1.00 H new ATOM 0 HG2 PRO A 83 3.401 10.618 2.740 1.00 1.00 H new ATOM 0 HG3 PRO A 83 1.761 10.539 2.129 1.00 1.00 H new ATOM 0 HD2 PRO A 83 2.981 12.599 4.006 1.00 1.00 H new ATOM 0 HD3 PRO A 83 1.913 12.868 2.642 1.00 1.00 H new ATOM 1348 N SER A 84 0.738 9.576 7.057 1.00 1.00 N ATOM 1349 CA SER A 84 1.237 9.255 8.385 1.00 1.00 C ATOM 1350 C SER A 84 2.665 8.694 8.298 1.00 1.00 C ATOM 1351 O SER A 84 3.200 8.493 7.206 1.00 1.00 O ATOM 1352 CB SER A 84 0.328 8.202 9.000 1.00 1.00 C ATOM 1353 OG SER A 84 -1.046 8.557 9.010 1.00 1.00 O ATOM 0 H SER A 84 0.147 8.848 6.656 1.00 1.00 H new ATOM 0 HA SER A 84 1.249 10.158 8.995 1.00 1.00 H new ATOM 0 HB2 SER A 84 0.447 7.269 8.450 1.00 1.00 H new ATOM 0 HB3 SER A 84 0.651 8.012 10.024 1.00 1.00 H new ATOM 0 HG SER A 84 -1.568 7.834 9.417 1.00 1.00 H new ATOM 1359 N ARG A 85 3.268 8.370 9.443 1.00 1.00 N ATOM 1360 CA ARG A 85 4.595 7.741 9.521 1.00 1.00 C ATOM 1361 C ARG A 85 4.502 6.242 9.324 1.00 1.00 C ATOM 1362 O ARG A 85 5.391 5.640 8.741 1.00 1.00 O ATOM 1363 CB ARG A 85 5.247 8.031 10.880 1.00 1.00 C ATOM 1364 CG ARG A 85 6.079 9.307 10.790 1.00 1.00 C ATOM 1365 CD ARG A 85 6.637 9.707 12.153 1.00 1.00 C ATOM 1366 NE ARG A 85 7.876 8.977 12.475 1.00 1.00 N ATOM 1367 CZ ARG A 85 9.095 9.521 12.551 1.00 1.00 C ATOM 1368 NH1 ARG A 85 9.351 10.729 12.067 1.00 1.00 N ATOM 1369 NH2 ARG A 85 10.075 8.849 13.120 1.00 1.00 N ATOM 0 H ARG A 85 2.846 8.538 10.356 1.00 1.00 H new ATOM 0 HA ARG A 85 5.207 8.164 8.724 1.00 1.00 H new ATOM 0 HB2 ARG A 85 4.480 8.139 11.647 1.00 1.00 H new ATOM 0 HB3 ARG A 85 5.879 7.194 11.177 1.00 1.00 H new ATOM 0 HG2 ARG A 85 6.900 9.159 10.089 1.00 1.00 H new ATOM 0 HG3 ARG A 85 5.465 10.116 10.395 1.00 1.00 H new ATOM 0 HD2 ARG A 85 6.834 10.779 12.164 1.00 1.00 H new ATOM 0 HD3 ARG A 85 5.890 9.512 12.923 1.00 1.00 H new ATOM 0 HE ARG A 85 7.797 7.976 12.654 1.00 1.00 H new ATOM 0 HH11 ARG A 85 8.608 11.268 11.623 1.00 1.00 H new ATOM 0 HH12 ARG A 85 10.291 11.119 12.139 1.00 1.00 H new ATOM 0 HH21 ARG A 85 9.902 7.918 13.500 1.00 1.00 H new ATOM 0 HH22 ARG A 85 11.007 9.259 13.181 1.00 1.00 H new ATOM 1383 N GLU A 86 3.401 5.633 9.737 1.00 1.00 N ATOM 1384 CA GLU A 86 3.138 4.224 9.488 1.00 1.00 C ATOM 1385 C GLU A 86 2.895 3.943 7.994 1.00 1.00 C ATOM 1386 O GLU A 86 2.676 2.800 7.619 1.00 1.00 O ATOM 1387 CB GLU A 86 1.901 3.846 10.317 1.00 1.00 C ATOM 1388 CG GLU A 86 1.858 2.370 10.736 1.00 1.00 C ATOM 1389 CD GLU A 86 3.038 1.963 11.629 1.00 1.00 C ATOM 1390 OE1 GLU A 86 3.604 2.833 12.333 1.00 1.00 O ATOM 1391 OE2 GLU A 86 3.374 0.757 11.639 1.00 1.00 O ATOM 0 H GLU A 86 2.661 6.105 10.257 1.00 1.00 H new ATOM 0 HA GLU A 86 4.003 3.627 9.775 1.00 1.00 H new ATOM 0 HB2 GLU A 86 1.872 4.468 11.212 1.00 1.00 H new ATOM 0 HB3 GLU A 86 1.005 4.076 9.740 1.00 1.00 H new ATOM 0 HG2 GLU A 86 0.925 2.176 11.266 1.00 1.00 H new ATOM 0 HG3 GLU A 86 1.853 1.745 9.843 1.00 1.00 H new ATOM 1398 N TYR A 87 2.866 4.985 7.161 1.00 1.00 N ATOM 1399 CA TYR A 87 2.260 5.060 5.841 1.00 1.00 C ATOM 1400 C TYR A 87 3.358 5.437 4.846 1.00 1.00 C ATOM 1401 O TYR A 87 3.828 4.544 4.137 1.00 1.00 O ATOM 1402 CB TYR A 87 1.050 6.005 6.030 1.00 1.00 C ATOM 1403 CG TYR A 87 -0.025 6.147 4.974 1.00 1.00 C ATOM 1404 CD1 TYR A 87 0.310 6.146 3.617 1.00 1.00 C ATOM 1405 CD2 TYR A 87 -1.359 6.407 5.360 1.00 1.00 C ATOM 1406 CE1 TYR A 87 -0.657 6.452 2.653 1.00 1.00 C ATOM 1407 CE2 TYR A 87 -2.340 6.712 4.396 1.00 1.00 C ATOM 1408 CZ TYR A 87 -1.970 6.769 3.037 1.00 1.00 C ATOM 1409 OH TYR A 87 -2.873 7.121 2.090 1.00 1.00 O ATOM 0 H TYR A 87 3.304 5.869 7.419 1.00 1.00 H new ATOM 0 HA TYR A 87 1.859 4.143 5.410 1.00 1.00 H new ATOM 0 HB2 TYR A 87 0.551 5.697 6.949 1.00 1.00 H new ATOM 0 HB3 TYR A 87 1.453 7.002 6.205 1.00 1.00 H new ATOM 0 HD1 TYR A 87 1.318 5.908 3.312 1.00 1.00 H new ATOM 0 HD2 TYR A 87 -1.629 6.372 6.405 1.00 1.00 H new ATOM 0 HE1 TYR A 87 -0.392 6.444 1.606 1.00 1.00 H new ATOM 0 HE2 TYR A 87 -3.361 6.899 4.694 1.00 1.00 H new ATOM 0 HH TYR A 87 -2.568 6.806 1.214 1.00 1.00 H new ATOM 1419 N VAL A 88 3.828 6.691 4.820 1.00 1.00 N ATOM 1420 CA VAL A 88 5.022 7.059 4.054 1.00 1.00 C ATOM 1421 C VAL A 88 5.871 8.040 4.851 1.00 1.00 C ATOM 1422 O VAL A 88 5.372 9.085 5.257 1.00 1.00 O ATOM 1423 CB VAL A 88 4.684 7.672 2.677 1.00 1.00 C ATOM 1424 CG1 VAL A 88 5.964 7.992 1.892 1.00 1.00 C ATOM 1425 CG2 VAL A 88 3.797 6.772 1.817 1.00 1.00 C ATOM 0 H VAL A 88 3.398 7.468 5.322 1.00 1.00 H new ATOM 0 HA VAL A 88 5.577 6.138 3.874 1.00 1.00 H new ATOM 0 HB VAL A 88 4.129 8.585 2.891 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.700 8.423 0.926 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.567 8.705 2.454 1.00 1.00 H new ATOM 0 HG13 VAL A 88 6.535 7.076 1.737 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.597 7.262 0.864 1.00 1.00 H new ATOM 0 HG22 VAL A 88 4.305 5.824 1.639 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.855 6.588 2.334 1.00 1.00 H new ATOM 1435 N ASP A 89 7.170 7.753 4.938 1.00 1.00 N ATOM 1436 CA ASP A 89 8.239 8.604 5.457 1.00 1.00 C ATOM 1437 C ASP A 89 8.131 8.816 6.960 1.00 1.00 C ATOM 1438 O ASP A 89 7.212 9.437 7.491 1.00 1.00 O ATOM 1439 CB ASP A 89 8.412 9.931 4.711 1.00 1.00 C ATOM 1440 CG ASP A 89 9.740 10.613 5.068 1.00 1.00 C ATOM 1441 OD1 ASP A 89 10.294 10.422 6.178 1.00 1.00 O ATOM 1442 OD2 ASP A 89 10.285 11.303 4.183 1.00 1.00 O ATOM 0 H ASP A 89 7.528 6.851 4.624 1.00 1.00 H new ATOM 0 HA ASP A 89 9.153 8.043 5.264 1.00 1.00 H new ATOM 0 HB2 ASP A 89 8.372 9.753 3.636 1.00 1.00 H new ATOM 0 HB3 ASP A 89 7.584 10.596 4.955 1.00 1.00 H new ATOM 1447 N LEU A 90 9.114 8.245 7.638 1.00 1.00 N ATOM 1448 CA LEU A 90 9.281 8.162 9.066 1.00 1.00 C ATOM 1449 C LEU A 90 10.765 8.287 9.396 1.00 1.00 C ATOM 1450 O LEU A 90 11.243 7.748 10.385 1.00 1.00 O ATOM 1451 CB LEU A 90 8.588 6.886 9.585 1.00 1.00 C ATOM 1452 CG LEU A 90 8.833 5.544 8.869 1.00 1.00 C ATOM 1453 CD1 LEU A 90 8.264 5.449 7.443 1.00 1.00 C ATOM 1454 CD2 LEU A 90 10.316 5.221 8.787 1.00 1.00 C ATOM 0 H LEU A 90 9.883 7.787 7.149 1.00 1.00 H new ATOM 0 HA LEU A 90 8.794 8.984 9.590 1.00 1.00 H new ATOM 0 HB2 LEU A 90 8.879 6.758 10.628 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.514 7.070 9.574 1.00 1.00 H new ATOM 0 HG LEU A 90 8.296 4.827 9.490 1.00 1.00 H new ATOM 0 HD11 LEU A 90 8.489 4.467 7.026 1.00 1.00 H new ATOM 0 HD12 LEU A 90 7.184 5.592 7.472 1.00 1.00 H new ATOM 0 HD13 LEU A 90 8.716 6.220 6.819 1.00 1.00 H new ATOM 0 HD21 LEU A 90 10.453 4.268 8.276 1.00 1.00 H new ATOM 0 HD22 LEU A 90 10.829 6.007 8.233 1.00 1.00 H new ATOM 0 HD23 LEU A 90 10.730 5.156 9.793 1.00 1.00 H new ATOM 1466 N GLU A 91 11.509 9.001 8.540 1.00 1.00 N ATOM 1467 CA GLU A 91 12.916 9.374 8.669 1.00 1.00 C ATOM 1468 C GLU A 91 13.881 8.179 8.615 1.00 1.00 C ATOM 1469 O GLU A 91 15.075 8.399 8.413 1.00 1.00 O ATOM 1470 CB GLU A 91 13.041 10.205 9.958 1.00 1.00 C ATOM 1471 CG GLU A 91 14.315 11.031 10.134 1.00 1.00 C ATOM 1472 CD GLU A 91 14.160 11.833 11.425 1.00 1.00 C ATOM 1473 OE1 GLU A 91 14.323 11.244 12.521 1.00 1.00 O ATOM 1474 OE2 GLU A 91 13.730 13.007 11.373 1.00 1.00 O ATOM 0 H GLU A 91 11.107 9.358 7.673 1.00 1.00 H new ATOM 0 HA GLU A 91 13.222 9.968 7.808 1.00 1.00 H new ATOM 0 HB2 GLU A 91 12.189 10.883 10.007 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.958 9.527 10.807 1.00 1.00 H new ATOM 0 HG2 GLU A 91 15.189 10.382 10.187 1.00 1.00 H new ATOM 0 HG3 GLU A 91 14.463 11.696 9.283 1.00 1.00 H new ATOM 1481 N ARG A 92 13.361 6.945 8.684 1.00 1.00 N ATOM 1482 CA ARG A 92 13.900 5.599 8.658 1.00 1.00 C ATOM 1483 C ARG A 92 13.679 4.939 9.999 1.00 1.00 C ATOM 1484 O ARG A 92 14.053 5.523 11.020 1.00 1.00 O ATOM 1485 CB ARG A 92 15.363 5.522 8.333 1.00 1.00 C ATOM 1486 CG ARG A 92 15.591 5.727 6.840 1.00 1.00 C ATOM 1487 CD ARG A 92 15.707 4.344 6.206 1.00 1.00 C ATOM 1488 NE ARG A 92 16.070 4.434 4.805 1.00 1.00 N ATOM 1489 CZ ARG A 92 17.298 4.629 4.309 1.00 1.00 C ATOM 1490 NH1 ARG A 92 18.345 4.747 5.119 1.00 1.00 N ATOM 1491 NH2 ARG A 92 17.443 4.677 2.993 1.00 1.00 N ATOM 0 H ARG A 92 12.348 6.876 8.778 1.00 1.00 H new ATOM 0 HA ARG A 92 13.368 5.087 7.856 1.00 1.00 H new ATOM 0 HB2 ARG A 92 15.907 6.280 8.897 1.00 1.00 H new ATOM 0 HB3 ARG A 92 15.758 4.553 8.637 1.00 1.00 H new ATOM 0 HG2 ARG A 92 14.765 6.285 6.398 1.00 1.00 H new ATOM 0 HG3 ARG A 92 16.497 6.307 6.665 1.00 1.00 H new ATOM 0 HD2 ARG A 92 16.455 3.758 6.741 1.00 1.00 H new ATOM 0 HD3 ARG A 92 14.759 3.816 6.305 1.00 1.00 H new ATOM 0 HE ARG A 92 15.313 4.339 4.129 1.00 1.00 H new ATOM 0 HH11 ARG A 92 18.217 4.689 6.129 1.00 1.00 H new ATOM 0 HH12 ARG A 92 19.276 4.895 4.730 1.00 1.00 H new ATOM 0 HH21 ARG A 92 16.631 4.567 2.386 1.00 1.00 H new ATOM 0 HH22 ARG A 92 18.367 4.824 2.587 1.00 1.00 H new ATOM 1505 N GLU A 93 13.068 3.757 9.989 1.00 1.00 N ATOM 1506 CA GLU A 93 13.048 2.913 11.158 1.00 1.00 C ATOM 1507 C GLU A 93 14.344 2.091 11.212 1.00 1.00 C ATOM 1508 O GLU A 93 15.286 2.354 10.461 1.00 1.00 O ATOM 1509 CB GLU A 93 11.767 2.061 11.195 1.00 1.00 C ATOM 1510 CG GLU A 93 11.134 2.165 12.589 1.00 1.00 C ATOM 1511 CD GLU A 93 10.207 3.379 12.755 1.00 1.00 C ATOM 1512 OE1 GLU A 93 10.540 4.488 12.283 1.00 1.00 O ATOM 1513 OE2 GLU A 93 9.160 3.248 13.428 1.00 1.00 O ATOM 0 H GLU A 93 12.583 3.371 9.179 1.00 1.00 H new ATOM 0 HA GLU A 93 13.017 3.520 12.063 1.00 1.00 H new ATOM 0 HB2 GLU A 93 11.064 2.406 10.436 1.00 1.00 H new ATOM 0 HB3 GLU A 93 12.000 1.021 10.965 1.00 1.00 H new ATOM 0 HG2 GLU A 93 10.568 1.256 12.790 1.00 1.00 H new ATOM 0 HG3 GLU A 93 11.926 2.219 13.336 1.00 1.00 H new ATOM 1520 N ALA A 94 14.409 1.120 12.126 1.00 1.00 N ATOM 1521 CA ALA A 94 15.609 0.358 12.445 1.00 1.00 C ATOM 1522 C ALA A 94 16.020 -0.575 11.298 1.00 1.00 C ATOM 1523 O ALA A 94 15.703 -1.764 11.314 1.00 1.00 O ATOM 1524 CB ALA A 94 15.385 -0.410 13.757 1.00 1.00 C ATOM 0 H ALA A 94 13.600 0.837 12.679 1.00 1.00 H new ATOM 0 HA ALA A 94 16.440 1.051 12.578 1.00 1.00 H new ATOM 0 HB1 ALA A 94 16.280 -0.982 14.001 1.00 1.00 H new ATOM 0 HB2 ALA A 94 15.175 0.296 14.561 1.00 1.00 H new ATOM 0 HB3 ALA A 94 14.540 -1.089 13.641 1.00 1.00 H new ATOM 1530 N GLY A 95 16.729 -0.051 10.299 1.00 1.00 N ATOM 1531 CA GLY A 95 17.187 -0.794 9.127 1.00 1.00 C ATOM 1532 C GLY A 95 16.054 -1.215 8.185 1.00 1.00 C ATOM 1533 O GLY A 95 16.296 -1.868 7.171 1.00 1.00 O ATOM 0 H GLY A 95 17.008 0.930 10.283 1.00 1.00 H new ATOM 0 HA2 GLY A 95 17.899 -0.181 8.574 1.00 1.00 H new ATOM 0 HA3 GLY A 95 17.722 -1.684 9.458 1.00 1.00 H new ATOM 1537 N LYS A 96 14.814 -0.812 8.468 1.00 1.00 N ATOM 1538 CA LYS A 96 13.645 -0.988 7.631 1.00 1.00 C ATOM 1539 C LYS A 96 12.892 0.330 7.582 1.00 1.00 C ATOM 1540 O LYS A 96 13.186 1.259 8.336 1.00 1.00 O ATOM 1541 CB LYS A 96 12.788 -2.168 8.134 1.00 1.00 C ATOM 1542 CG LYS A 96 12.525 -2.216 9.638 1.00 1.00 C ATOM 1543 CD LYS A 96 11.627 -3.369 10.106 1.00 1.00 C ATOM 1544 CE LYS A 96 12.104 -4.783 9.729 1.00 1.00 C ATOM 1545 NZ LYS A 96 13.510 -5.062 10.092 1.00 1.00 N ATOM 0 H LYS A 96 14.596 -0.328 9.339 1.00 1.00 H new ATOM 0 HA LYS A 96 13.931 -1.250 6.612 1.00 1.00 H new ATOM 0 HB2 LYS A 96 11.828 -2.138 7.619 1.00 1.00 H new ATOM 0 HB3 LYS A 96 13.278 -3.097 7.842 1.00 1.00 H new ATOM 0 HG2 LYS A 96 13.481 -2.288 10.156 1.00 1.00 H new ATOM 0 HG3 LYS A 96 12.068 -1.274 9.941 1.00 1.00 H new ATOM 0 HD2 LYS A 96 11.533 -3.315 11.191 1.00 1.00 H new ATOM 0 HD3 LYS A 96 10.630 -3.220 9.692 1.00 1.00 H new ATOM 0 HE2 LYS A 96 11.461 -5.514 10.219 1.00 1.00 H new ATOM 0 HE3 LYS A 96 11.983 -4.921 8.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 13.580 -6.015 10.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 96 14.106 -5.007 9.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 96 13.835 -4.360 10.787 1.00 1.00 H new ATOM 1559 N VAL A 97 11.908 0.414 6.702 1.00 1.00 N ATOM 1560 CA VAL A 97 10.964 1.528 6.694 1.00 1.00 C ATOM 1561 C VAL A 97 9.557 0.953 6.785 1.00 1.00 C ATOM 1562 O VAL A 97 9.321 -0.182 6.367 1.00 1.00 O ATOM 1563 CB VAL A 97 11.227 2.430 5.472 1.00 1.00 C ATOM 1564 CG1 VAL A 97 10.457 1.999 4.229 1.00 1.00 C ATOM 1565 CG2 VAL A 97 10.880 3.887 5.729 1.00 1.00 C ATOM 0 H VAL A 97 11.738 -0.282 5.976 1.00 1.00 H new ATOM 0 HA VAL A 97 11.090 2.185 7.555 1.00 1.00 H new ATOM 0 HB VAL A 97 12.298 2.322 5.299 1.00 1.00 H new ATOM 0 HG11 VAL A 97 10.687 2.675 3.406 1.00 1.00 H new ATOM 0 HG12 VAL A 97 10.745 0.984 3.956 1.00 1.00 H new ATOM 0 HG13 VAL A 97 9.387 2.029 4.435 1.00 1.00 H new ATOM 0 HG21 VAL A 97 11.086 4.473 4.834 1.00 1.00 H new ATOM 0 HG22 VAL A 97 9.823 3.970 5.982 1.00 1.00 H new ATOM 0 HG23 VAL A 97 11.482 4.264 6.556 1.00 1.00 H new ATOM 1575 N TYR A 98 8.630 1.709 7.365 1.00 1.00 N ATOM 1576 CA TYR A 98 7.259 1.283 7.560 1.00 1.00 C ATOM 1577 C TYR A 98 6.471 1.752 6.348 1.00 1.00 C ATOM 1578 O TYR A 98 6.836 2.758 5.728 1.00 1.00 O ATOM 1579 CB TYR A 98 6.760 1.866 8.880 1.00 1.00 C ATOM 1580 CG TYR A 98 7.329 1.219 10.139 1.00 1.00 C ATOM 1581 CD1 TYR A 98 8.456 0.366 10.106 1.00 1.00 C ATOM 1582 CD2 TYR A 98 6.702 1.468 11.374 1.00 1.00 C ATOM 1583 CE1 TYR A 98 8.960 -0.208 11.275 1.00 1.00 C ATOM 1584 CE2 TYR A 98 7.168 0.853 12.550 1.00 1.00 C ATOM 1585 CZ TYR A 98 8.298 0.006 12.500 1.00 1.00 C ATOM 1586 OH TYR A 98 8.764 -0.594 13.622 1.00 1.00 O ATOM 0 H TYR A 98 8.819 2.648 7.716 1.00 1.00 H new ATOM 0 HA TYR A 98 7.148 0.201 7.634 1.00 1.00 H new ATOM 0 HB2 TYR A 98 6.997 2.930 8.900 1.00 1.00 H new ATOM 0 HB3 TYR A 98 5.674 1.781 8.908 1.00 1.00 H new ATOM 0 HD1 TYR A 98 8.935 0.155 9.161 1.00 1.00 H new ATOM 0 HD2 TYR A 98 5.856 2.137 11.419 1.00 1.00 H new ATOM 0 HE1 TYR A 98 9.854 -0.813 11.240 1.00 1.00 H new ATOM 0 HE2 TYR A 98 6.663 1.028 13.489 1.00 1.00 H new ATOM 0 HH TYR A 98 8.200 -0.346 14.384 1.00 1.00 H new ATOM 1596 N LEU A 99 5.480 0.964 5.938 1.00 1.00 N ATOM 1597 CA LEU A 99 4.944 1.073 4.598 1.00 1.00 C ATOM 1598 C LEU A 99 3.496 0.618 4.641 1.00 1.00 C ATOM 1599 O LEU A 99 3.186 -0.494 5.061 1.00 1.00 O ATOM 1600 CB LEU A 99 5.839 0.244 3.649 1.00 1.00 C ATOM 1601 CG LEU A 99 6.119 0.883 2.279 1.00 1.00 C ATOM 1602 CD1 LEU A 99 4.878 0.922 1.401 1.00 1.00 C ATOM 1603 CD2 LEU A 99 6.719 2.291 2.389 1.00 1.00 C ATOM 0 H LEU A 99 5.039 0.249 6.516 1.00 1.00 H new ATOM 0 HA LEU A 99 4.949 2.094 4.217 1.00 1.00 H new ATOM 0 HB2 LEU A 99 6.791 0.058 4.146 1.00 1.00 H new ATOM 0 HB3 LEU A 99 5.369 -0.726 3.489 1.00 1.00 H new ATOM 0 HG LEU A 99 6.861 0.238 1.808 1.00 1.00 H new ATOM 0 HD11 LEU A 99 5.124 1.382 0.444 1.00 1.00 H new ATOM 0 HD12 LEU A 99 4.518 -0.093 1.234 1.00 1.00 H new ATOM 0 HD13 LEU A 99 4.101 1.506 1.895 1.00 1.00 H new ATOM 0 HD21 LEU A 99 6.895 2.691 1.390 1.00 1.00 H new ATOM 0 HD22 LEU A 99 6.026 2.941 2.923 1.00 1.00 H new ATOM 0 HD23 LEU A 99 7.663 2.243 2.932 1.00 1.00 H new ATOM 1615 N LYS A 100 2.590 1.495 4.247 1.00 1.00 N ATOM 1616 CA LYS A 100 1.148 1.279 4.338 1.00 1.00 C ATOM 1617 C LYS A 100 0.518 2.189 3.311 1.00 1.00 C ATOM 1618 O LYS A 100 1.041 3.273 3.059 1.00 1.00 O ATOM 1619 CB LYS A 100 0.628 1.621 5.749 1.00 1.00 C ATOM 1620 CG LYS A 100 -0.804 1.194 6.081 1.00 1.00 C ATOM 1621 CD LYS A 100 -1.489 2.159 7.068 1.00 1.00 C ATOM 1622 CE LYS A 100 -0.790 2.270 8.429 1.00 1.00 C ATOM 1623 NZ LYS A 100 -1.570 3.127 9.350 1.00 1.00 N ATOM 0 H LYS A 100 2.837 2.399 3.845 1.00 1.00 H new ATOM 0 HA LYS A 100 0.898 0.234 4.153 1.00 1.00 H new ATOM 0 HB2 LYS A 100 1.296 1.162 6.477 1.00 1.00 H new ATOM 0 HB3 LYS A 100 0.701 2.700 5.885 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -1.388 1.143 5.162 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -0.792 0.191 6.507 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -1.537 3.149 6.615 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -2.516 1.830 7.226 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -0.669 1.278 8.863 1.00 1.00 H new ATOM 0 HE3 LYS A 100 0.209 2.685 8.297 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -1.080 3.189 10.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -1.664 4.079 8.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -2.515 2.716 9.491 1.00 1.00 H new ATOM 1637 N ALA A 101 -0.590 1.762 2.729 1.00 1.00 N ATOM 1638 CA ALA A 101 -1.316 2.547 1.751 1.00 1.00 C ATOM 1639 C ALA A 101 -2.735 1.976 1.652 1.00 1.00 C ATOM 1640 O ALA A 101 -2.884 0.762 1.490 1.00 1.00 O ATOM 1641 CB ALA A 101 -0.563 2.501 0.415 1.00 1.00 C ATOM 0 H ALA A 101 -1.012 0.854 2.925 1.00 1.00 H new ATOM 0 HA ALA A 101 -1.389 3.595 2.040 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -1.103 3.089 -0.327 1.00 1.00 H new ATOM 0 HB2 ALA A 101 0.438 2.913 0.547 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -0.488 1.468 0.075 1.00 1.00 H new ATOM 1647 N PRO A 102 -3.790 2.791 1.801 1.00 1.00 N ATOM 1648 CA PRO A 102 -5.142 2.348 1.551 1.00 1.00 C ATOM 1649 C PRO A 102 -5.336 2.196 0.050 1.00 1.00 C ATOM 1650 O PRO A 102 -5.100 3.123 -0.724 1.00 1.00 O ATOM 1651 CB PRO A 102 -6.055 3.411 2.133 1.00 1.00 C ATOM 1652 CG PRO A 102 -5.228 4.693 2.006 1.00 1.00 C ATOM 1653 CD PRO A 102 -3.779 4.207 2.098 1.00 1.00 C ATOM 0 HA PRO A 102 -5.362 1.383 2.008 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -6.993 3.481 1.582 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -6.310 3.198 3.171 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -5.420 5.200 1.061 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -5.463 5.401 2.801 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -3.146 4.745 1.392 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -3.373 4.390 3.093 1.00 1.00 H new ATOM 1661 N MET A 103 -5.780 1.023 -0.354 1.00 1.00 N ATOM 1662 CA MET A 103 -6.089 0.686 -1.725 1.00 1.00 C ATOM 1663 C MET A 103 -7.593 0.636 -1.841 1.00 1.00 C ATOM 1664 O MET A 103 -8.276 0.309 -0.872 1.00 1.00 O ATOM 1665 CB MET A 103 -5.569 -0.705 -2.076 1.00 1.00 C ATOM 1666 CG MET A 103 -4.235 -1.061 -1.421 1.00 1.00 C ATOM 1667 SD MET A 103 -2.889 -0.128 -2.166 1.00 1.00 S ATOM 1668 CE MET A 103 -2.733 -1.226 -3.578 1.00 1.00 C ATOM 0 H MET A 103 -5.941 0.249 0.291 1.00 1.00 H new ATOM 0 HA MET A 103 -5.633 1.421 -2.388 1.00 1.00 H new ATOM 0 HB2 MET A 103 -6.314 -1.444 -1.781 1.00 1.00 H new ATOM 0 HB3 MET A 103 -5.460 -0.777 -3.158 1.00 1.00 H new ATOM 0 HG2 MET A 103 -4.282 -0.851 -0.353 1.00 1.00 H new ATOM 0 HG3 MET A 103 -4.046 -2.129 -1.528 1.00 1.00 H new ATOM 0 HE1 MET A 103 -1.925 -0.878 -4.222 1.00 1.00 H new ATOM 0 HE2 MET A 103 -2.511 -2.235 -3.231 1.00 1.00 H new ATOM 0 HE3 MET A 103 -3.667 -1.232 -4.139 1.00 1.00 H new ATOM 1678 N ILE A 104 -8.100 0.818 -3.052 1.00 1.00 N ATOM 1679 CA ILE A 104 -9.513 0.643 -3.333 1.00 1.00 C ATOM 1680 C ILE A 104 -9.578 -0.255 -4.555 1.00 1.00 C ATOM 1681 O ILE A 104 -9.419 0.205 -5.688 1.00 1.00 O ATOM 1682 CB ILE A 104 -10.271 1.984 -3.423 1.00 1.00 C ATOM 1683 CG1 ILE A 104 -9.941 2.867 -2.195 1.00 1.00 C ATOM 1684 CG2 ILE A 104 -11.777 1.681 -3.519 1.00 1.00 C ATOM 1685 CD1 ILE A 104 -10.805 4.110 -1.974 1.00 1.00 C ATOM 0 H ILE A 104 -7.544 1.090 -3.863 1.00 1.00 H new ATOM 0 HA ILE A 104 -10.049 0.158 -2.517 1.00 1.00 H new ATOM 0 HB ILE A 104 -9.963 2.540 -4.309 1.00 1.00 H new ATOM 0 HG12 ILE A 104 -10.011 2.244 -1.303 1.00 1.00 H new ATOM 0 HG13 ILE A 104 -8.903 3.188 -2.279 1.00 1.00 H new ATOM 0 HG21 ILE A 104 -12.333 2.616 -3.584 1.00 1.00 H new ATOM 0 HG22 ILE A 104 -11.971 1.081 -4.408 1.00 1.00 H new ATOM 0 HG23 ILE A 104 -12.095 1.131 -2.633 1.00 1.00 H new ATOM 0 HD11 ILE A 104 -10.465 4.635 -1.081 1.00 1.00 H new ATOM 0 HD12 ILE A 104 -10.720 4.770 -2.837 1.00 1.00 H new ATOM 0 HD13 ILE A 104 -11.846 3.812 -1.846 1.00 1.00 H new ATOM 1697 N LEU A 105 -9.723 -1.557 -4.318 1.00 1.00 N ATOM 1698 CA LEU A 105 -9.669 -2.601 -5.333 1.00 1.00 C ATOM 1699 C LEU A 105 -11.037 -3.256 -5.370 1.00 1.00 C ATOM 1700 O LEU A 105 -11.569 -3.658 -4.336 1.00 1.00 O ATOM 1701 CB LEU A 105 -8.543 -3.608 -5.035 1.00 1.00 C ATOM 1702 CG LEU A 105 -7.248 -3.410 -5.848 1.00 1.00 C ATOM 1703 CD1 LEU A 105 -7.418 -3.755 -7.330 1.00 1.00 C ATOM 1704 CD2 LEU A 105 -6.682 -1.992 -5.723 1.00 1.00 C ATOM 0 H LEU A 105 -9.887 -1.924 -3.381 1.00 1.00 H new ATOM 0 HA LEU A 105 -9.434 -2.183 -6.312 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -8.299 -3.551 -3.974 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -8.919 -4.614 -5.222 1.00 1.00 H new ATOM 0 HG LEU A 105 -6.537 -4.110 -5.409 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -6.474 -3.596 -7.851 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -7.716 -4.799 -7.429 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -8.185 -3.116 -7.767 1.00 1.00 H new ATOM 0 HD21 LEU A 105 -5.771 -1.910 -6.316 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -7.417 -1.274 -6.086 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -6.455 -1.782 -4.678 1.00 1.00 H new ATOM 1716 N ASN A 106 -11.650 -3.255 -6.552 1.00 1.00 N ATOM 1717 CA ASN A 106 -13.031 -3.626 -6.870 1.00 1.00 C ATOM 1718 C ASN A 106 -14.067 -2.675 -6.266 1.00 1.00 C ATOM 1719 O ASN A 106 -15.162 -2.539 -6.800 1.00 1.00 O ATOM 1720 CB ASN A 106 -13.311 -5.093 -6.506 1.00 1.00 C ATOM 1721 CG ASN A 106 -14.557 -5.626 -7.201 1.00 1.00 C ATOM 1722 OD1 ASN A 106 -15.542 -5.978 -6.562 1.00 1.00 O ATOM 1723 ND2 ASN A 106 -14.527 -5.707 -8.524 1.00 1.00 N ATOM 0 H ASN A 106 -11.147 -2.968 -7.391 1.00 1.00 H new ATOM 0 HA ASN A 106 -13.138 -3.525 -7.950 1.00 1.00 H new ATOM 0 HB2 ASN A 106 -12.452 -5.705 -6.782 1.00 1.00 H new ATOM 0 HB3 ASN A 106 -13.432 -5.182 -5.426 1.00 1.00 H new ATOM 0 HD21 ASN A 106 -15.335 -6.068 -9.031 1.00 1.00 H new ATOM 0 HD22 ASN A 106 -13.696 -5.408 -9.035 1.00 1.00 H new ATOM 1730 N GLY A 107 -13.708 -1.959 -5.203 1.00 1.00 N ATOM 1731 CA GLY A 107 -14.588 -1.156 -4.369 1.00 1.00 C ATOM 1732 C GLY A 107 -14.395 -1.443 -2.884 1.00 1.00 C ATOM 1733 O GLY A 107 -15.058 -0.824 -2.055 1.00 1.00 O ATOM 0 H GLY A 107 -12.739 -1.924 -4.886 1.00 1.00 H new ATOM 0 HA2 GLY A 107 -14.402 -0.099 -4.560 1.00 1.00 H new ATOM 0 HA3 GLY A 107 -15.625 -1.352 -4.643 1.00 1.00 H new ATOM 1737 N VAL A 108 -13.524 -2.389 -2.527 1.00 1.00 N ATOM 1738 CA VAL A 108 -13.122 -2.638 -1.163 1.00 1.00 C ATOM 1739 C VAL A 108 -11.996 -1.666 -0.864 1.00 1.00 C ATOM 1740 O VAL A 108 -10.963 -1.720 -1.535 1.00 1.00 O ATOM 1741 CB VAL A 108 -12.665 -4.095 -0.976 1.00 1.00 C ATOM 1742 CG1 VAL A 108 -12.540 -4.425 0.517 1.00 1.00 C ATOM 1743 CG2 VAL A 108 -13.667 -5.057 -1.621 1.00 1.00 C ATOM 0 H VAL A 108 -13.076 -3.010 -3.201 1.00 1.00 H new ATOM 0 HA VAL A 108 -13.956 -2.491 -0.477 1.00 1.00 H new ATOM 0 HB VAL A 108 -11.694 -4.211 -1.457 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -12.216 -5.459 0.635 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -11.808 -3.761 0.976 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -13.507 -4.290 1.002 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -13.329 -6.083 -1.480 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -14.645 -4.930 -1.156 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -13.742 -4.843 -2.687 1.00 1.00 H new ATOM 1753 N CYS A 109 -12.192 -0.786 0.117 1.00 1.00 N ATOM 1754 CA CYS A 109 -11.106 -0.047 0.706 1.00 1.00 C ATOM 1755 C CYS A 109 -10.420 -1.018 1.658 1.00 1.00 C ATOM 1756 O CYS A 109 -10.927 -1.309 2.741 1.00 1.00 O ATOM 1757 CB CYS A 109 -11.576 1.230 1.403 1.00 1.00 C ATOM 1758 SG CYS A 109 -10.146 2.338 1.430 1.00 1.00 S ATOM 0 H CYS A 109 -13.107 -0.575 0.515 1.00 1.00 H new ATOM 0 HA CYS A 109 -10.413 0.311 -0.055 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -12.410 1.683 0.867 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -11.924 1.017 2.414 1.00 1.00 H new ATOM 0 HG CYS A 109 -10.431 3.431 0.786 1.00 1.00 H new ATOM 1764 N VAL A 110 -9.318 -1.582 1.199 1.00 1.00 N ATOM 1765 CA VAL A 110 -8.376 -2.306 2.042 1.00 1.00 C ATOM 1766 C VAL A 110 -7.266 -1.345 2.476 1.00 1.00 C ATOM 1767 O VAL A 110 -7.046 -0.307 1.852 1.00 1.00 O ATOM 1768 CB VAL A 110 -7.845 -3.570 1.325 1.00 1.00 C ATOM 1769 CG1 VAL A 110 -8.981 -4.565 1.054 1.00 1.00 C ATOM 1770 CG2 VAL A 110 -7.118 -3.267 0.014 1.00 1.00 C ATOM 0 H VAL A 110 -9.046 -1.551 0.217 1.00 1.00 H new ATOM 0 HA VAL A 110 -8.875 -2.670 2.940 1.00 1.00 H new ATOM 0 HB VAL A 110 -7.117 -4.009 2.008 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -8.582 -5.445 0.549 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -9.436 -4.864 1.998 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -9.734 -4.094 0.421 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -6.773 -4.199 -0.434 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -7.800 -2.765 -0.672 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -6.263 -2.621 0.213 1.00 1.00 H new ATOM 1780 N ILE A 111 -6.520 -1.717 3.507 1.00 1.00 N ATOM 1781 CA ILE A 111 -5.235 -1.141 3.851 1.00 1.00 C ATOM 1782 C ILE A 111 -4.227 -2.201 3.452 1.00 1.00 C ATOM 1783 O ILE A 111 -4.182 -3.272 4.052 1.00 1.00 O ATOM 1784 CB ILE A 111 -5.141 -0.753 5.344 1.00 1.00 C ATOM 1785 CG1 ILE A 111 -6.240 0.264 5.701 1.00 1.00 C ATOM 1786 CG2 ILE A 111 -3.755 -0.174 5.639 1.00 1.00 C ATOM 1787 CD1 ILE A 111 -6.004 1.145 6.931 1.00 1.00 C ATOM 0 H ILE A 111 -6.807 -2.456 4.148 1.00 1.00 H new ATOM 0 HA ILE A 111 -5.056 -0.199 3.332 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.289 -1.643 5.956 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -6.389 0.917 4.841 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -7.171 -0.283 5.851 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -3.691 0.099 6.692 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -2.993 -0.919 5.410 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -3.592 0.711 5.024 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.854 1.814 7.068 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -5.892 0.515 7.814 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -5.098 1.734 6.788 1.00 1.00 H new ATOM 1799 N TRP A 112 -3.426 -1.923 2.434 1.00 1.00 N ATOM 1800 CA TRP A 112 -2.180 -2.644 2.262 1.00 1.00 C ATOM 1801 C TRP A 112 -1.263 -2.131 3.366 1.00 1.00 C ATOM 1802 O TRP A 112 -1.122 -0.916 3.523 1.00 1.00 O ATOM 1803 CB TRP A 112 -1.651 -2.368 0.850 1.00 1.00 C ATOM 1804 CG TRP A 112 -0.398 -3.068 0.417 1.00 1.00 C ATOM 1805 CD1 TRP A 112 -0.342 -4.002 -0.556 1.00 1.00 C ATOM 1806 CD2 TRP A 112 0.983 -2.865 0.848 1.00 1.00 C ATOM 1807 NE1 TRP A 112 0.972 -4.330 -0.818 1.00 1.00 N ATOM 1808 CE2 TRP A 112 1.831 -3.652 0.013 1.00 1.00 C ATOM 1809 CE3 TRP A 112 1.620 -2.089 1.839 1.00 1.00 C ATOM 1810 CZ2 TRP A 112 3.225 -3.655 0.148 1.00 1.00 C ATOM 1811 CZ3 TRP A 112 3.008 -2.153 2.039 1.00 1.00 C ATOM 1812 CH2 TRP A 112 3.817 -2.913 1.183 1.00 1.00 C ATOM 0 H TRP A 112 -3.615 -1.214 1.726 1.00 1.00 H new ATOM 0 HA TRP A 112 -2.273 -3.727 2.345 1.00 1.00 H new ATOM 0 HB2 TRP A 112 -2.439 -2.626 0.142 1.00 1.00 H new ATOM 0 HB3 TRP A 112 -1.481 -1.295 0.761 1.00 1.00 H new ATOM 0 HD1 TRP A 112 -1.199 -4.429 -1.055 1.00 1.00 H new ATOM 0 HE1 TRP A 112 1.268 -4.991 -1.536 1.00 1.00 H new ATOM 0 HE3 TRP A 112 1.027 -1.431 2.457 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 3.838 -4.222 -0.537 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 3.456 -1.612 2.859 1.00 1.00 H new ATOM 0 HH2 TRP A 112 4.888 -2.928 1.318 1.00 1.00 H new ATOM 1823 N LYS A 113 -0.665 -3.013 4.164 1.00 1.00 N ATOM 1824 CA LYS A 113 0.182 -2.626 5.297 1.00 1.00 C ATOM 1825 C LYS A 113 1.443 -3.481 5.344 1.00 1.00 C ATOM 1826 O LYS A 113 1.448 -4.569 4.768 1.00 1.00 O ATOM 1827 CB LYS A 113 -0.659 -2.734 6.580 1.00 1.00 C ATOM 1828 CG LYS A 113 -1.038 -4.181 6.974 1.00 1.00 C ATOM 1829 CD LYS A 113 -0.305 -4.701 8.220 1.00 1.00 C ATOM 1830 CE LYS A 113 -1.083 -4.336 9.491 1.00 1.00 C ATOM 1831 NZ LYS A 113 -0.398 -4.810 10.708 1.00 1.00 N ATOM 0 H LYS A 113 -0.753 -4.022 4.045 1.00 1.00 H new ATOM 0 HA LYS A 113 0.524 -1.596 5.191 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -0.106 -2.279 7.402 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -1.573 -2.154 6.451 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -2.113 -4.229 7.151 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -0.823 -4.843 6.135 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -0.188 -5.783 8.156 1.00 1.00 H new ATOM 0 HD3 LYS A 113 0.697 -4.274 8.264 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -1.208 -3.254 9.542 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -2.081 -4.771 9.443 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -0.954 -4.544 11.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -0.301 -5.845 10.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 0.545 -4.376 10.767 1.00 1.00 H new ATOM 1845 N GLY A 114 2.483 -3.049 6.057 1.00 1.00 N ATOM 1846 CA GLY A 114 3.716 -3.809 6.188 1.00 1.00 C ATOM 1847 C GLY A 114 4.902 -2.933 6.573 1.00 1.00 C ATOM 1848 O GLY A 114 4.755 -1.786 7.009 1.00 1.00 O ATOM 0 H GLY A 114 2.490 -2.161 6.559 1.00 1.00 H new ATOM 0 HA2 GLY A 114 3.582 -4.586 6.941 1.00 1.00 H new ATOM 0 HA3 GLY A 114 3.931 -4.312 5.245 1.00 1.00 H new ATOM 1852 N TRP A 115 6.096 -3.489 6.441 1.00 1.00 N ATOM 1853 CA TRP A 115 7.360 -2.787 6.469 1.00 1.00 C ATOM 1854 C TRP A 115 8.240 -3.398 5.384 1.00 1.00 C ATOM 1855 O TRP A 115 8.048 -4.537 4.957 1.00 1.00 O ATOM 1856 CB TRP A 115 8.001 -2.898 7.859 1.00 1.00 C ATOM 1857 CG TRP A 115 8.390 -4.284 8.276 1.00 1.00 C ATOM 1858 CD1 TRP A 115 9.498 -4.940 7.863 1.00 1.00 C ATOM 1859 CD2 TRP A 115 7.648 -5.232 9.101 1.00 1.00 C ATOM 1860 NE1 TRP A 115 9.528 -6.196 8.430 1.00 1.00 N ATOM 1861 CE2 TRP A 115 8.430 -6.418 9.229 1.00 1.00 C ATOM 1862 CE3 TRP A 115 6.374 -5.237 9.711 1.00 1.00 C ATOM 1863 CZ2 TRP A 115 7.990 -7.541 9.941 1.00 1.00 C ATOM 1864 CZ3 TRP A 115 5.904 -6.377 10.393 1.00 1.00 C ATOM 1865 CH2 TRP A 115 6.712 -7.519 10.516 1.00 1.00 C ATOM 0 H TRP A 115 6.210 -4.493 6.305 1.00 1.00 H new ATOM 0 HA TRP A 115 7.226 -1.723 6.275 1.00 1.00 H new ATOM 0 HB2 TRP A 115 8.889 -2.266 7.883 1.00 1.00 H new ATOM 0 HB3 TRP A 115 7.305 -2.497 8.595 1.00 1.00 H new ATOM 0 HD1 TRP A 115 10.245 -4.541 7.192 1.00 1.00 H new ATOM 0 HE1 TRP A 115 10.272 -6.877 8.276 1.00 1.00 H new ATOM 0 HE3 TRP A 115 5.752 -4.356 9.654 1.00 1.00 H new ATOM 0 HZ2 TRP A 115 8.624 -8.409 10.045 1.00 1.00 H new ATOM 0 HZ3 TRP A 115 4.914 -6.372 10.825 1.00 1.00 H new ATOM 0 HH2 TRP A 115 6.348 -8.382 11.054 1.00 1.00 H new ATOM 1876 N ILE A 116 9.244 -2.652 4.955 1.00 1.00 N ATOM 1877 CA ILE A 116 10.136 -3.022 3.877 1.00 1.00 C ATOM 1878 C ILE A 116 11.535 -2.751 4.410 1.00 1.00 C ATOM 1879 O ILE A 116 11.900 -1.599 4.670 1.00 1.00 O ATOM 1880 CB ILE A 116 9.763 -2.211 2.620 1.00 1.00 C ATOM 1881 CG1 ILE A 116 8.446 -2.662 1.945 1.00 1.00 C ATOM 1882 CG2 ILE A 116 10.892 -2.250 1.594 1.00 1.00 C ATOM 1883 CD1 ILE A 116 8.508 -4.024 1.235 1.00 1.00 C ATOM 0 H ILE A 116 9.465 -1.744 5.363 1.00 1.00 H new ATOM 0 HA ILE A 116 10.069 -4.066 3.572 1.00 1.00 H new ATOM 0 HB ILE A 116 9.605 -1.192 2.974 1.00 1.00 H new ATOM 0 HG12 ILE A 116 7.663 -2.700 2.702 1.00 1.00 H new ATOM 0 HG13 ILE A 116 8.151 -1.905 1.219 1.00 1.00 H new ATOM 0 HG21 ILE A 116 10.606 -1.671 0.716 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.795 -1.824 2.031 1.00 1.00 H new ATOM 0 HG23 ILE A 116 11.082 -3.283 1.301 1.00 1.00 H new ATOM 0 HD11 ILE A 116 7.537 -4.249 0.795 1.00 1.00 H new ATOM 0 HD12 ILE A 116 9.263 -3.991 0.450 1.00 1.00 H new ATOM 0 HD13 ILE A 116 8.768 -4.799 1.956 1.00 1.00 H new ATOM 1895 N ASP A 117 12.288 -3.815 4.665 1.00 1.00 N ATOM 1896 CA ASP A 117 13.673 -3.725 5.070 1.00 1.00 C ATOM 1897 C ASP A 117 14.556 -3.197 3.950 1.00 1.00 C ATOM 1898 O ASP A 117 14.357 -3.477 2.767 1.00 1.00 O ATOM 1899 CB ASP A 117 14.188 -5.083 5.544 1.00 1.00 C ATOM 1900 CG ASP A 117 15.411 -4.888 6.430 1.00 1.00 C ATOM 1901 OD1 ASP A 117 16.529 -4.710 5.897 1.00 1.00 O ATOM 1902 OD2 ASP A 117 15.219 -4.887 7.671 1.00 1.00 O ATOM 0 H ASP A 117 11.943 -4.772 4.593 1.00 1.00 H new ATOM 0 HA ASP A 117 13.720 -3.017 5.898 1.00 1.00 H new ATOM 0 HB2 ASP A 117 13.407 -5.606 6.096 1.00 1.00 H new ATOM 0 HB3 ASP A 117 14.444 -5.705 4.686 1.00 1.00 H new ATOM 1907 N LEU A 118 15.569 -2.430 4.331 1.00 1.00 N ATOM 1908 CA LEU A 118 16.428 -1.699 3.418 1.00 1.00 C ATOM 1909 C LEU A 118 17.492 -2.624 2.810 1.00 1.00 C ATOM 1910 O LEU A 118 18.447 -2.121 2.218 1.00 1.00 O ATOM 1911 CB LEU A 118 17.064 -0.503 4.152 1.00 1.00 C ATOM 1912 CG LEU A 118 16.061 0.388 4.920 1.00 1.00 C ATOM 1913 CD1 LEU A 118 16.805 1.206 5.974 1.00 1.00 C ATOM 1914 CD2 LEU A 118 15.163 1.268 4.034 1.00 1.00 C ATOM 0 H LEU A 118 15.820 -2.298 5.311 1.00 1.00 H new ATOM 0 HA LEU A 118 15.830 -1.315 2.592 1.00 1.00 H new ATOM 0 HB2 LEU A 118 17.808 -0.879 4.854 1.00 1.00 H new ATOM 0 HB3 LEU A 118 17.594 0.112 3.425 1.00 1.00 H new ATOM 0 HG LEU A 118 15.358 -0.288 5.407 1.00 1.00 H new ATOM 0 HD11 LEU A 118 16.096 1.834 6.514 1.00 1.00 H new ATOM 0 HD12 LEU A 118 17.301 0.533 6.674 1.00 1.00 H new ATOM 0 HD13 LEU A 118 17.549 1.836 5.487 1.00 1.00 H new ATOM 0 HD21 LEU A 118 14.495 1.856 4.663 1.00 1.00 H new ATOM 0 HD22 LEU A 118 15.784 1.938 3.439 1.00 1.00 H new ATOM 0 HD23 LEU A 118 14.574 0.635 3.371 1.00 1.00 H new ATOM 1926 N HIS A 119 17.405 -3.948 2.986 1.00 1.00 N ATOM 1927 CA HIS A 119 18.351 -4.907 2.420 1.00 1.00 C ATOM 1928 C HIS A 119 18.276 -4.863 0.884 1.00 1.00 C ATOM 1929 O HIS A 119 19.259 -4.565 0.198 1.00 1.00 O ATOM 1930 CB HIS A 119 18.134 -6.303 3.049 1.00 1.00 C ATOM 1931 CG HIS A 119 17.321 -7.321 2.279 1.00 1.00 C ATOM 1932 ND1 HIS A 119 17.873 -8.371 1.576 1.00 1.00 N ATOM 1933 CD2 HIS A 119 15.953 -7.418 2.172 1.00 1.00 C ATOM 1934 CE1 HIS A 119 16.864 -9.091 1.064 1.00 1.00 C ATOM 1935 NE2 HIS A 119 15.682 -8.535 1.374 1.00 1.00 N ATOM 0 H HIS A 119 16.664 -4.386 3.534 1.00 1.00 H new ATOM 0 HA HIS A 119 19.378 -4.640 2.671 1.00 1.00 H new ATOM 0 HB2 HIS A 119 19.115 -6.737 3.240 1.00 1.00 H new ATOM 0 HB3 HIS A 119 17.655 -6.160 4.018 1.00 1.00 H new ATOM 0 HD1 HIS A 119 18.868 -8.565 1.465 1.00 1.00 H new ATOM 0 HD2 HIS A 119 15.226 -6.757 2.619 1.00 1.00 H new ATOM 0 HE1 HIS A 119 16.986 -9.993 0.483 1.00 1.00 H new ATOM 1943 N ARG A 120 17.080 -5.101 0.345 1.00 1.00 N ATOM 1944 CA ARG A 120 16.716 -5.120 -1.054 1.00 1.00 C ATOM 1945 C ARG A 120 15.381 -4.440 -1.280 1.00 1.00 C ATOM 1946 O ARG A 120 14.946 -4.378 -2.421 1.00 1.00 O ATOM 1947 CB ARG A 120 16.681 -6.599 -1.446 1.00 1.00 C ATOM 1948 CG ARG A 120 16.855 -6.833 -2.938 1.00 1.00 C ATOM 1949 CD ARG A 120 18.314 -7.065 -3.359 1.00 1.00 C ATOM 1950 NE ARG A 120 19.254 -6.119 -2.730 1.00 1.00 N ATOM 1951 CZ ARG A 120 20.581 -6.128 -2.853 1.00 1.00 C ATOM 1952 NH1 ARG A 120 21.177 -6.906 -3.751 1.00 1.00 N ATOM 1953 NH2 ARG A 120 21.295 -5.330 -2.075 1.00 1.00 N ATOM 0 H ARG A 120 16.275 -5.302 0.939 1.00 1.00 H new ATOM 0 HA ARG A 120 17.428 -4.569 -1.668 1.00 1.00 H new ATOM 0 HB2 ARG A 120 17.468 -7.128 -0.909 1.00 1.00 H new ATOM 0 HB3 ARG A 120 15.732 -7.029 -1.127 1.00 1.00 H new ATOM 0 HG2 ARG A 120 16.259 -7.696 -3.234 1.00 1.00 H new ATOM 0 HG3 ARG A 120 16.462 -5.973 -3.480 1.00 1.00 H new ATOM 0 HD2 ARG A 120 18.604 -8.083 -3.099 1.00 1.00 H new ATOM 0 HD3 ARG A 120 18.391 -6.979 -4.443 1.00 1.00 H new ATOM 0 HE ARG A 120 18.850 -5.388 -2.145 1.00 1.00 H new ATOM 0 HH11 ARG A 120 20.618 -7.506 -4.357 1.00 1.00 H new ATOM 0 HH12 ARG A 120 22.194 -6.903 -3.834 1.00 1.00 H new ATOM 0 HH21 ARG A 120 20.828 -4.725 -1.399 1.00 1.00 H new ATOM 0 HH22 ARG A 120 22.312 -5.320 -2.151 1.00 1.00 H new ATOM 1967 N LEU A 121 14.798 -3.837 -0.244 1.00 1.00 N ATOM 1968 CA LEU A 121 13.438 -3.340 -0.250 1.00 1.00 C ATOM 1969 C LEU A 121 12.483 -4.522 -0.359 1.00 1.00 C ATOM 1970 O LEU A 121 11.483 -4.462 -1.072 1.00 1.00 O ATOM 1971 CB LEU A 121 13.173 -2.208 -1.261 1.00 1.00 C ATOM 1972 CG LEU A 121 14.081 -0.967 -1.192 1.00 1.00 C ATOM 1973 CD1 LEU A 121 14.698 -0.680 0.187 1.00 1.00 C ATOM 1974 CD2 LEU A 121 15.194 -0.972 -2.241 1.00 1.00 C ATOM 0 H LEU A 121 15.278 -3.681 0.642 1.00 1.00 H new ATOM 0 HA LEU A 121 13.254 -2.836 0.699 1.00 1.00 H new ATOM 0 HB2 LEU A 121 13.252 -2.627 -2.264 1.00 1.00 H new ATOM 0 HB3 LEU A 121 12.142 -1.878 -1.134 1.00 1.00 H new ATOM 0 HG LEU A 121 13.382 -0.159 -1.407 1.00 1.00 H new ATOM 0 HD11 LEU A 121 15.320 0.214 0.129 1.00 1.00 H new ATOM 0 HD12 LEU A 121 13.903 -0.522 0.916 1.00 1.00 H new ATOM 0 HD13 LEU A 121 15.310 -1.528 0.496 1.00 1.00 H new ATOM 0 HD21 LEU A 121 15.796 -0.070 -2.137 1.00 1.00 H new ATOM 0 HD22 LEU A 121 15.826 -1.849 -2.097 1.00 1.00 H new ATOM 0 HD23 LEU A 121 14.754 -1.001 -3.238 1.00 1.00 H new ATOM 1986 N ASP A 122 12.761 -5.556 0.434 1.00 1.00 N ATOM 1987 CA ASP A 122 11.899 -6.708 0.633 1.00 1.00 C ATOM 1988 C ASP A 122 11.703 -6.799 2.147 1.00 1.00 C ATOM 1989 O ASP A 122 12.465 -6.203 2.917 1.00 1.00 O ATOM 1990 CB ASP A 122 12.417 -8.024 -0.008 1.00 1.00 C ATOM 1991 CG ASP A 122 13.096 -7.980 -1.388 1.00 1.00 C ATOM 1992 OD1 ASP A 122 13.235 -6.914 -2.019 1.00 1.00 O ATOM 1993 OD2 ASP A 122 13.507 -9.061 -1.882 1.00 1.00 O ATOM 0 H ASP A 122 13.625 -5.611 0.973 1.00 1.00 H new ATOM 0 HA ASP A 122 10.952 -6.573 0.111 1.00 1.00 H new ATOM 0 HB2 ASP A 122 13.125 -8.470 0.690 1.00 1.00 H new ATOM 0 HB3 ASP A 122 11.570 -8.706 -0.083 1.00 1.00 H new ATOM 1998 N GLY A 123 10.649 -7.460 2.607 1.00 1.00 N ATOM 1999 CA GLY A 123 10.190 -7.323 3.979 1.00 1.00 C ATOM 2000 C GLY A 123 8.835 -7.997 4.132 1.00 1.00 C ATOM 2001 O GLY A 123 8.592 -9.005 3.477 1.00 1.00 O ATOM 0 H GLY A 123 10.093 -8.102 2.042 1.00 1.00 H new ATOM 0 HA2 GLY A 123 10.911 -7.773 4.661 1.00 1.00 H new ATOM 0 HA3 GLY A 123 10.115 -6.269 4.245 1.00 1.00 H new ATOM 2005 N MET A 124 7.964 -7.499 5.006 1.00 1.00 N ATOM 2006 CA MET A 124 6.781 -8.229 5.464 1.00 1.00 C ATOM 2007 C MET A 124 5.559 -7.324 5.433 1.00 1.00 C ATOM 2008 O MET A 124 5.645 -6.160 5.814 1.00 1.00 O ATOM 2009 CB MET A 124 7.022 -8.693 6.900 1.00 1.00 C ATOM 2010 CG MET A 124 7.885 -9.950 7.018 1.00 1.00 C ATOM 2011 SD MET A 124 7.109 -11.500 6.482 1.00 1.00 S ATOM 2012 CE MET A 124 5.663 -11.540 7.570 1.00 1.00 C ATOM 0 H MET A 124 8.058 -6.572 5.420 1.00 1.00 H new ATOM 0 HA MET A 124 6.605 -9.082 4.809 1.00 1.00 H new ATOM 0 HB2 MET A 124 7.499 -7.885 7.455 1.00 1.00 H new ATOM 0 HB3 MET A 124 6.059 -8.881 7.375 1.00 1.00 H new ATOM 0 HG2 MET A 124 8.793 -9.800 6.433 1.00 1.00 H new ATOM 0 HG3 MET A 124 8.191 -10.061 8.058 1.00 1.00 H new ATOM 0 HE1 MET A 124 5.292 -12.562 7.645 1.00 1.00 H new ATOM 0 HE2 MET A 124 5.943 -11.182 8.561 1.00 1.00 H new ATOM 0 HE3 MET A 124 4.882 -10.900 7.160 1.00 1.00 H new ATOM 2022 N GLY A 125 4.411 -7.852 5.023 1.00 1.00 N ATOM 2023 CA GLY A 125 3.161 -7.117 4.966 1.00 1.00 C ATOM 2024 C GLY A 125 1.991 -8.026 4.622 1.00 1.00 C ATOM 2025 O GLY A 125 2.121 -9.246 4.647 1.00 1.00 O ATOM 0 H GLY A 125 4.326 -8.821 4.716 1.00 1.00 H new ATOM 0 HA2 GLY A 125 2.978 -6.635 5.926 1.00 1.00 H new ATOM 0 HA3 GLY A 125 3.238 -6.325 4.221 1.00 1.00 H new ATOM 2029 N CYS A 126 0.821 -7.439 4.386 1.00 1.00 N ATOM 2030 CA CYS A 126 -0.433 -8.098 4.069 1.00 1.00 C ATOM 2031 C CYS A 126 -1.482 -7.037 3.786 1.00 1.00 C ATOM 2032 O CYS A 126 -1.178 -5.857 3.583 1.00 1.00 O ATOM 2033 CB CYS A 126 -0.876 -9.046 5.196 1.00 1.00 C ATOM 2034 SG CYS A 126 -1.249 -8.219 6.776 1.00 1.00 S ATOM 0 H CYS A 126 0.722 -6.424 4.414 1.00 1.00 H new ATOM 0 HA CYS A 126 -0.300 -8.719 3.183 1.00 1.00 H new ATOM 0 HB2 CYS A 126 -1.761 -9.591 4.868 1.00 1.00 H new ATOM 0 HB3 CYS A 126 -0.091 -9.783 5.363 1.00 1.00 H new ATOM 0 HG CYS A 126 -2.479 -7.797 6.765 1.00 1.00 H new ATOM 2040 N LEU A 127 -2.735 -7.475 3.798 1.00 1.00 N ATOM 2041 CA LEU A 127 -3.879 -6.601 3.713 1.00 1.00 C ATOM 2042 C LEU A 127 -4.570 -6.571 5.060 1.00 1.00 C ATOM 2043 O LEU A 127 -4.480 -7.516 5.848 1.00 1.00 O ATOM 2044 CB LEU A 127 -4.837 -7.111 2.636 1.00 1.00 C ATOM 2045 CG LEU A 127 -4.207 -7.103 1.235 1.00 1.00 C ATOM 2046 CD1 LEU A 127 -5.199 -7.741 0.280 1.00 1.00 C ATOM 2047 CD2 LEU A 127 -3.853 -5.688 0.769 1.00 1.00 C ATOM 0 H LEU A 127 -2.979 -8.463 3.868 1.00 1.00 H new ATOM 0 HA LEU A 127 -3.562 -5.593 3.445 1.00 1.00 H new ATOM 0 HB2 LEU A 127 -5.150 -8.125 2.884 1.00 1.00 H new ATOM 0 HB3 LEU A 127 -5.735 -6.493 2.631 1.00 1.00 H new ATOM 0 HG LEU A 127 -3.272 -7.663 1.259 1.00 1.00 H new ATOM 0 HD11 LEU A 127 -4.781 -7.751 -0.726 1.00 1.00 H new ATOM 0 HD12 LEU A 127 -5.404 -8.763 0.598 1.00 1.00 H new ATOM 0 HD13 LEU A 127 -6.126 -7.168 0.282 1.00 1.00 H new ATOM 0 HD21 LEU A 127 -3.411 -5.733 -0.226 1.00 1.00 H new ATOM 0 HD22 LEU A 127 -4.756 -5.079 0.738 1.00 1.00 H new ATOM 0 HD23 LEU A 127 -3.140 -5.244 1.463 1.00 1.00 H new ATOM 2059 N GLU A 128 -5.314 -5.503 5.261 1.00 1.00 N ATOM 2060 CA GLU A 128 -6.359 -5.337 6.256 1.00 1.00 C ATOM 2061 C GLU A 128 -7.507 -4.585 5.569 1.00 1.00 C ATOM 2062 O GLU A 128 -7.386 -4.197 4.407 1.00 1.00 O ATOM 2063 CB GLU A 128 -5.764 -4.589 7.466 1.00 1.00 C ATOM 2064 CG GLU A 128 -6.657 -4.452 8.705 1.00 1.00 C ATOM 2065 CD GLU A 128 -7.322 -5.760 9.107 1.00 1.00 C ATOM 2066 OE1 GLU A 128 -8.348 -6.113 8.489 1.00 1.00 O ATOM 2067 OE2 GLU A 128 -6.852 -6.414 10.066 1.00 1.00 O ATOM 0 H GLU A 128 -5.197 -4.665 4.692 1.00 1.00 H new ATOM 0 HA GLU A 128 -6.751 -6.280 6.637 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -4.848 -5.099 7.763 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -5.480 -3.588 7.140 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -6.058 -4.084 9.538 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -7.426 -3.705 8.511 1.00 1.00 H new ATOM 2074 N PHE A 129 -8.626 -4.377 6.249 1.00 1.00 N ATOM 2075 CA PHE A 129 -9.729 -3.544 5.783 1.00 1.00 C ATOM 2076 C PHE A 129 -9.536 -2.088 6.234 1.00 1.00 C ATOM 2077 O PHE A 129 -8.835 -1.841 7.223 1.00 1.00 O ATOM 2078 CB PHE A 129 -11.035 -4.127 6.329 1.00 1.00 C ATOM 2079 CG PHE A 129 -12.263 -3.460 5.753 1.00 1.00 C ATOM 2080 CD1 PHE A 129 -12.564 -3.622 4.390 1.00 1.00 C ATOM 2081 CD2 PHE A 129 -13.073 -2.636 6.556 1.00 1.00 C ATOM 2082 CE1 PHE A 129 -13.665 -2.956 3.832 1.00 1.00 C ATOM 2083 CE2 PHE A 129 -14.194 -2.002 5.995 1.00 1.00 C ATOM 2084 CZ PHE A 129 -14.495 -2.159 4.635 1.00 1.00 C ATOM 0 H PHE A 129 -8.797 -4.793 7.164 1.00 1.00 H new ATOM 0 HA PHE A 129 -9.761 -3.539 4.693 1.00 1.00 H new ATOM 0 HB2 PHE A 129 -11.071 -5.194 6.109 1.00 1.00 H new ATOM 0 HB3 PHE A 129 -11.047 -4.024 7.414 1.00 1.00 H new ATOM 0 HD1 PHE A 129 -11.948 -4.259 3.773 1.00 1.00 H new ATOM 0 HD2 PHE A 129 -12.834 -2.492 7.599 1.00 1.00 H new ATOM 0 HE1 PHE A 129 -13.875 -3.057 2.778 1.00 1.00 H new ATOM 0 HE2 PHE A 129 -14.829 -1.389 6.617 1.00 1.00 H new ATOM 0 HZ PHE A 129 -15.359 -1.671 4.209 1.00 1.00 H new ATOM 2094 N ASP A 130 -10.204 -1.130 5.581 1.00 1.00 N ATOM 2095 CA ASP A 130 -10.202 0.288 5.953 1.00 1.00 C ATOM 2096 C ASP A 130 -11.633 0.804 6.112 1.00 1.00 C ATOM 2097 O ASP A 130 -12.234 1.306 5.164 1.00 1.00 O ATOM 2098 CB ASP A 130 -9.440 1.138 4.928 1.00 1.00 C ATOM 2099 CG ASP A 130 -8.979 2.471 5.529 1.00 1.00 C ATOM 2100 OD1 ASP A 130 -9.498 2.917 6.584 1.00 1.00 O ATOM 2101 OD2 ASP A 130 -8.057 3.089 4.955 1.00 1.00 O ATOM 0 H ASP A 130 -10.775 -1.325 4.759 1.00 1.00 H new ATOM 0 HA ASP A 130 -9.687 0.377 6.910 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.574 0.583 4.566 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -10.079 1.329 4.066 1.00 1.00 H new ATOM 2106 N GLU A 131 -12.206 0.661 7.304 1.00 1.00 N ATOM 2107 CA GLU A 131 -13.559 1.036 7.638 1.00 1.00 C ATOM 2108 C GLU A 131 -13.793 2.522 7.399 1.00 1.00 C ATOM 2109 O GLU A 131 -14.719 2.890 6.679 1.00 1.00 O ATOM 2110 CB GLU A 131 -13.786 0.555 9.081 1.00 1.00 C ATOM 2111 CG GLU A 131 -15.021 1.147 9.750 1.00 1.00 C ATOM 2112 CD GLU A 131 -15.589 0.186 10.800 1.00 1.00 C ATOM 2113 OE1 GLU A 131 -15.070 0.142 11.939 1.00 1.00 O ATOM 2114 OE2 GLU A 131 -16.487 -0.620 10.448 1.00 1.00 O ATOM 0 H GLU A 131 -11.706 0.259 8.097 1.00 1.00 H new ATOM 0 HA GLU A 131 -14.303 0.565 6.995 1.00 1.00 H new ATOM 0 HB2 GLU A 131 -13.873 -0.532 9.080 1.00 1.00 H new ATOM 0 HB3 GLU A 131 -12.909 0.805 9.678 1.00 1.00 H new ATOM 0 HG2 GLU A 131 -14.765 2.096 10.221 1.00 1.00 H new ATOM 0 HG3 GLU A 131 -15.780 1.360 8.997 1.00 1.00 H new ATOM 2121 N GLU A 132 -12.951 3.387 7.957 1.00 1.00 N ATOM 2122 CA GLU A 132 -13.209 4.817 7.897 1.00 1.00 C ATOM 2123 C GLU A 132 -13.061 5.356 6.481 1.00 1.00 C ATOM 2124 O GLU A 132 -13.781 6.275 6.074 1.00 1.00 O ATOM 2125 CB GLU A 132 -12.241 5.542 8.843 1.00 1.00 C ATOM 2126 CG GLU A 132 -12.793 6.878 9.347 1.00 1.00 C ATOM 2127 CD GLU A 132 -14.007 6.653 10.245 1.00 1.00 C ATOM 2128 OE1 GLU A 132 -15.140 6.594 9.724 1.00 1.00 O ATOM 2129 OE2 GLU A 132 -13.830 6.532 11.480 1.00 1.00 O ATOM 0 H GLU A 132 -12.096 3.125 8.449 1.00 1.00 H new ATOM 0 HA GLU A 132 -14.239 4.996 8.207 1.00 1.00 H new ATOM 0 HB2 GLU A 132 -12.024 4.899 9.696 1.00 1.00 H new ATOM 0 HB3 GLU A 132 -11.297 5.716 8.326 1.00 1.00 H new ATOM 0 HG2 GLU A 132 -12.020 7.412 9.899 1.00 1.00 H new ATOM 0 HG3 GLU A 132 -13.071 7.505 8.500 1.00 1.00 H new ATOM 2136 N ARG A 133 -12.114 4.811 5.720 1.00 1.00 N ATOM 2137 CA ARG A 133 -11.925 5.200 4.338 1.00 1.00 C ATOM 2138 C ARG A 133 -13.011 4.607 3.449 1.00 1.00 C ATOM 2139 O ARG A 133 -13.455 5.308 2.547 1.00 1.00 O ATOM 2140 CB ARG A 133 -10.542 4.743 3.921 1.00 1.00 C ATOM 2141 CG ARG A 133 -10.014 5.398 2.644 1.00 1.00 C ATOM 2142 CD ARG A 133 -9.524 6.828 2.869 1.00 1.00 C ATOM 2143 NE ARG A 133 -8.331 6.846 3.740 1.00 1.00 N ATOM 2144 CZ ARG A 133 -8.171 7.549 4.870 1.00 1.00 C ATOM 2145 NH1 ARG A 133 -9.128 8.330 5.351 1.00 1.00 N ATOM 2146 NH2 ARG A 133 -7.022 7.506 5.529 1.00 1.00 N ATOM 0 H ARG A 133 -11.465 4.095 6.047 1.00 1.00 H new ATOM 0 HA ARG A 133 -12.003 6.282 4.230 1.00 1.00 H new ATOM 0 HB2 ARG A 133 -9.845 4.948 4.734 1.00 1.00 H new ATOM 0 HB3 ARG A 133 -10.558 3.662 3.780 1.00 1.00 H new ATOM 0 HG2 ARG A 133 -9.197 4.798 2.245 1.00 1.00 H new ATOM 0 HG3 ARG A 133 -10.803 5.403 1.891 1.00 1.00 H new ATOM 0 HD2 ARG A 133 -9.287 7.290 1.911 1.00 1.00 H new ATOM 0 HD3 ARG A 133 -10.318 7.422 3.321 1.00 1.00 H new ATOM 0 HE ARG A 133 -7.546 6.262 3.451 1.00 1.00 H new ATOM 0 HH11 ARG A 133 -10.018 8.409 4.858 1.00 1.00 H new ATOM 0 HH12 ARG A 133 -8.975 8.852 6.214 1.00 1.00 H new ATOM 0 HH21 ARG A 133 -6.253 6.936 5.177 1.00 1.00 H new ATOM 0 HH22 ARG A 133 -6.907 8.043 6.388 1.00 1.00 H new ATOM 2160 N ALA A 134 -13.482 3.381 3.703 1.00 1.00 N ATOM 2161 CA ALA A 134 -14.643 2.833 3.013 1.00 1.00 C ATOM 2162 C ALA A 134 -15.858 3.717 3.278 1.00 1.00 C ATOM 2163 O ALA A 134 -16.546 4.040 2.314 1.00 1.00 O ATOM 2164 CB ALA A 134 -14.902 1.375 3.424 1.00 1.00 C ATOM 0 H ALA A 134 -13.069 2.749 4.389 1.00 1.00 H new ATOM 0 HA ALA A 134 -14.446 2.825 1.941 1.00 1.00 H new ATOM 0 HB1 ALA A 134 -15.774 0.996 2.891 1.00 1.00 H new ATOM 0 HB2 ALA A 134 -14.033 0.767 3.175 1.00 1.00 H new ATOM 0 HB3 ALA A 134 -15.083 1.326 4.498 1.00 1.00 H new ATOM 2170 N GLN A 135 -16.088 4.176 4.520 1.00 1.00 N ATOM 2171 CA GLN A 135 -17.158 5.137 4.777 1.00 1.00 C ATOM 2172 C GLN A 135 -16.936 6.417 3.965 1.00 1.00 C ATOM 2173 O GLN A 135 -17.902 7.014 3.485 1.00 1.00 O ATOM 2174 CB GLN A 135 -17.261 5.504 6.268 1.00 1.00 C ATOM 2175 CG GLN A 135 -17.792 4.400 7.189 1.00 1.00 C ATOM 2176 CD GLN A 135 -18.423 5.022 8.434 1.00 1.00 C ATOM 2177 OE1 GLN A 135 -19.636 5.213 8.490 1.00 1.00 O ATOM 2178 NE2 GLN A 135 -17.659 5.422 9.431 1.00 1.00 N ATOM 0 H GLN A 135 -15.554 3.899 5.344 1.00 1.00 H new ATOM 0 HA GLN A 135 -18.090 4.659 4.475 1.00 1.00 H new ATOM 0 HB2 GLN A 135 -16.273 5.801 6.619 1.00 1.00 H new ATOM 0 HB3 GLN A 135 -17.909 6.375 6.365 1.00 1.00 H new ATOM 0 HG2 GLN A 135 -18.529 3.796 6.660 1.00 1.00 H new ATOM 0 HG3 GLN A 135 -16.980 3.732 7.477 1.00 1.00 H new ATOM 0 HE21 GLN A 135 -16.651 5.268 9.395 1.00 1.00 H new ATOM 0 HE22 GLN A 135 -18.076 5.885 10.239 1.00 1.00 H new ATOM 2187 N GLN A 136 -15.686 6.881 3.843 1.00 1.00 N ATOM 2188 CA GLN A 136 -15.392 8.118 3.128 1.00 1.00 C ATOM 2189 C GLN A 136 -15.739 7.952 1.654 1.00 1.00 C ATOM 2190 O GLN A 136 -16.389 8.814 1.070 1.00 1.00 O ATOM 2191 CB GLN A 136 -13.913 8.498 3.307 1.00 1.00 C ATOM 2192 CG GLN A 136 -13.735 9.932 3.813 1.00 1.00 C ATOM 2193 CD GLN A 136 -14.159 10.999 2.812 1.00 1.00 C ATOM 2194 OE1 GLN A 136 -15.062 11.785 3.088 1.00 1.00 O ATOM 2195 NE2 GLN A 136 -13.502 11.101 1.670 1.00 1.00 N ATOM 0 H GLN A 136 -14.866 6.415 4.232 1.00 1.00 H new ATOM 0 HA GLN A 136 -15.998 8.926 3.539 1.00 1.00 H new ATOM 0 HB2 GLN A 136 -13.446 7.807 4.009 1.00 1.00 H new ATOM 0 HB3 GLN A 136 -13.394 8.385 2.355 1.00 1.00 H new ATOM 0 HG2 GLN A 136 -14.313 10.058 4.729 1.00 1.00 H new ATOM 0 HG3 GLN A 136 -12.688 10.087 4.073 1.00 1.00 H new ATOM 0 HE21 GLN A 136 -12.754 10.443 1.451 1.00 1.00 H new ATOM 0 HE22 GLN A 136 -13.743 11.838 1.007 1.00 1.00 H new ATOM 2204 N GLU A 137 -15.311 6.850 1.049 1.00 1.00 N ATOM 2205 CA GLU A 137 -15.509 6.617 -0.359 1.00 1.00 C ATOM 2206 C GLU A 137 -16.968 6.315 -0.674 1.00 1.00 C ATOM 2207 O GLU A 137 -17.420 6.649 -1.767 1.00 1.00 O ATOM 2208 CB GLU A 137 -14.579 5.476 -0.801 1.00 1.00 C ATOM 2209 CG GLU A 137 -14.162 5.691 -2.258 1.00 1.00 C ATOM 2210 CD GLU A 137 -13.503 7.060 -2.483 1.00 1.00 C ATOM 2211 OE1 GLU A 137 -12.743 7.525 -1.599 1.00 1.00 O ATOM 2212 OE2 GLU A 137 -13.815 7.697 -3.511 1.00 1.00 O ATOM 0 H GLU A 137 -14.817 6.098 1.530 1.00 1.00 H new ATOM 0 HA GLU A 137 -15.259 7.519 -0.918 1.00 1.00 H new ATOM 0 HB2 GLU A 137 -13.698 5.443 -0.161 1.00 1.00 H new ATOM 0 HB3 GLU A 137 -15.087 4.517 -0.695 1.00 1.00 H new ATOM 0 HG2 GLU A 137 -13.469 4.904 -2.554 1.00 1.00 H new ATOM 0 HG3 GLU A 137 -15.038 5.603 -2.901 1.00 1.00 H new ATOM 2219 N ASP A 138 -17.709 5.741 0.280 1.00 1.00 N ATOM 2220 CA ASP A 138 -19.152 5.548 0.182 1.00 1.00 C ATOM 2221 C ASP A 138 -19.833 6.905 0.099 1.00 1.00 C ATOM 2222 O ASP A 138 -20.703 7.086 -0.748 1.00 1.00 O ATOM 2223 CB ASP A 138 -19.711 4.746 1.374 1.00 1.00 C ATOM 2224 CG ASP A 138 -20.049 3.296 1.016 1.00 1.00 C ATOM 2225 OD1 ASP A 138 -20.641 3.051 -0.060 1.00 1.00 O ATOM 2226 OD2 ASP A 138 -19.767 2.382 1.821 1.00 1.00 O ATOM 0 H ASP A 138 -17.313 5.394 1.153 1.00 1.00 H new ATOM 0 HA ASP A 138 -19.357 4.970 -0.719 1.00 1.00 H new ATOM 0 HB2 ASP A 138 -18.981 4.754 2.184 1.00 1.00 H new ATOM 0 HB3 ASP A 138 -20.608 5.240 1.748 1.00 1.00 H new ATOM 2231 N ALA A 139 -19.438 7.860 0.948 1.00 1.00 N ATOM 2232 CA ALA A 139 -19.925 9.238 0.898 1.00 1.00 C ATOM 2233 C ALA A 139 -19.589 9.882 -0.455 1.00 1.00 C ATOM 2234 O ALA A 139 -20.441 10.485 -1.112 1.00 1.00 O ATOM 2235 CB ALA A 139 -19.345 10.044 2.062 1.00 1.00 C ATOM 0 H ALA A 139 -18.764 7.694 1.696 1.00 1.00 H new ATOM 0 HA ALA A 139 -21.010 9.234 0.998 1.00 1.00 H new ATOM 0 HB1 ALA A 139 -19.714 11.068 2.015 1.00 1.00 H new ATOM 0 HB2 ALA A 139 -19.650 9.591 3.006 1.00 1.00 H new ATOM 0 HB3 ALA A 139 -18.257 10.047 1.996 1.00 1.00 H new ATOM 2241 N LEU A 140 -18.334 9.750 -0.890 1.00 1.00 N ATOM 2242 CA LEU A 140 -17.867 10.282 -2.160 1.00 1.00 C ATOM 2243 C LEU A 140 -18.592 9.657 -3.352 1.00 1.00 C ATOM 2244 O LEU A 140 -18.765 10.328 -4.375 1.00 1.00 O ATOM 2245 CB LEU A 140 -16.341 10.121 -2.283 1.00 1.00 C ATOM 2246 CG LEU A 140 -15.504 11.064 -1.394 1.00 1.00 C ATOM 2247 CD1 LEU A 140 -14.045 11.056 -1.868 1.00 1.00 C ATOM 2248 CD2 LEU A 140 -16.023 12.510 -1.388 1.00 1.00 C ATOM 0 H LEU A 140 -17.610 9.264 -0.360 1.00 1.00 H new ATOM 0 HA LEU A 140 -18.104 11.346 -2.177 1.00 1.00 H new ATOM 0 HB2 LEU A 140 -16.080 9.091 -2.038 1.00 1.00 H new ATOM 0 HB3 LEU A 140 -16.058 10.283 -3.323 1.00 1.00 H new ATOM 0 HG LEU A 140 -15.586 10.688 -0.374 1.00 1.00 H new ATOM 0 HD11 LEU A 140 -13.455 11.723 -1.239 1.00 1.00 H new ATOM 0 HD12 LEU A 140 -13.646 10.044 -1.799 1.00 1.00 H new ATOM 0 HD13 LEU A 140 -13.997 11.396 -2.903 1.00 1.00 H new ATOM 0 HD21 LEU A 140 -15.390 13.121 -0.744 1.00 1.00 H new ATOM 0 HD22 LEU A 140 -16.001 12.909 -2.402 1.00 1.00 H new ATOM 0 HD23 LEU A 140 -17.046 12.528 -1.013 1.00 1.00 H new ATOM 2260 N ALA A 141 -19.069 8.418 -3.221 1.00 1.00 N ATOM 2261 CA ALA A 141 -19.899 7.710 -4.183 1.00 1.00 C ATOM 2262 C ALA A 141 -21.349 8.216 -4.111 1.00 1.00 C ATOM 2263 O ALA A 141 -22.287 7.440 -3.911 1.00 1.00 O ATOM 2264 CB ALA A 141 -19.773 6.201 -3.938 1.00 1.00 C ATOM 0 H ALA A 141 -18.873 7.855 -2.393 1.00 1.00 H new ATOM 0 HA ALA A 141 -19.559 7.907 -5.200 1.00 1.00 H new ATOM 0 HB1 ALA A 141 -20.393 5.663 -4.655 1.00 1.00 H new ATOM 0 HB2 ALA A 141 -18.733 5.898 -4.058 1.00 1.00 H new ATOM 0 HB3 ALA A 141 -20.104 5.968 -2.926 1.00 1.00 H new ATOM 2270 N GLN A 142 -21.517 9.521 -4.348 1.00 1.00 N ATOM 2271 CA GLN A 142 -22.769 10.258 -4.456 1.00 1.00 C ATOM 2272 C GLN A 142 -23.720 9.948 -3.295 1.00 1.00 C ATOM 2273 O GLN A 142 -24.844 9.470 -3.491 1.00 1.00 O ATOM 2274 CB GLN A 142 -23.365 10.029 -5.859 1.00 1.00 C ATOM 2275 CG GLN A 142 -23.932 11.307 -6.498 1.00 1.00 C ATOM 2276 CD GLN A 142 -23.181 11.631 -7.783 1.00 1.00 C ATOM 2277 OE1 GLN A 142 -23.705 11.498 -8.892 1.00 1.00 O ATOM 2278 NE2 GLN A 142 -21.917 11.999 -7.676 1.00 1.00 N ATOM 0 H GLN A 142 -20.712 10.134 -4.479 1.00 1.00 H new ATOM 0 HA GLN A 142 -22.584 11.328 -4.358 1.00 1.00 H new ATOM 0 HB2 GLN A 142 -22.594 9.617 -6.510 1.00 1.00 H new ATOM 0 HB3 GLN A 142 -24.157 9.283 -5.792 1.00 1.00 H new ATOM 0 HG2 GLN A 142 -24.993 11.176 -6.712 1.00 1.00 H new ATOM 0 HG3 GLN A 142 -23.848 12.140 -5.799 1.00 1.00 H new ATOM 0 HE21 GLN A 142 -21.493 12.106 -6.754 1.00 1.00 H new ATOM 0 HE22 GLN A 142 -21.365 12.176 -8.515 1.00 1.00 H new ATOM 2287 N GLN A 143 -23.244 10.171 -2.072 1.00 1.00 N ATOM 2288 CA GLN A 143 -23.960 9.889 -0.841 1.00 1.00 C ATOM 2289 C GLN A 143 -23.572 10.944 0.190 1.00 1.00 C ATOM 2290 O GLN A 143 -22.924 11.950 -0.177 1.00 1.00 O ATOM 2291 CB GLN A 143 -23.569 8.458 -0.456 1.00 1.00 C ATOM 2292 CG GLN A 143 -24.425 7.744 0.591 1.00 1.00 C ATOM 2293 CD GLN A 143 -24.228 6.227 0.530 1.00 1.00 C ATOM 2294 OE1 GLN A 143 -25.165 5.455 0.719 1.00 1.00 O ATOM 2295 NE2 GLN A 143 -23.037 5.740 0.228 1.00 1.00 N ATOM 0 H GLN A 143 -22.318 10.566 -1.911 1.00 1.00 H new ATOM 0 HA GLN A 143 -25.045 9.941 -0.927 1.00 1.00 H new ATOM 0 HB2 GLN A 143 -23.575 7.853 -1.363 1.00 1.00 H new ATOM 0 HB3 GLN A 143 -22.542 8.477 -0.093 1.00 1.00 H new ATOM 0 HG2 GLN A 143 -24.165 8.107 1.585 1.00 1.00 H new ATOM 0 HG3 GLN A 143 -25.476 7.983 0.429 1.00 1.00 H new ATOM 0 HE21 GLN A 143 -22.253 6.372 0.069 1.00 1.00 H new ATOM 0 HE22 GLN A 143 -22.902 4.732 0.154 1.00 1.00 H new