USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.15 K(o=-2.1,f=-2.8!) USER MOD Set 2.1: A 68 SER OG : rot -71:sc= -0.35 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.4 K(o=0.05,f=-2.5!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -2.39 K(o=-1.6,f=-1) USER MOD Set 3.2: A 40 SER OG : rot -89:sc= 0.776 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0178 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 80:sc= -1.48 USER MOD Single : A 30 THR OG1 : rot 79:sc= 0.78 USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00136) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -30:sc= 0.00195 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -0.104 (180deg=-0.609) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.815 X(o=-0.82,f=-0.93) USER MOD Single : A 67 MET CE :methyl -167:sc= -4.52! (180deg=-5.39!) USER MOD Single : A 74 LYS NZ :NH3+ -98:sc= -0.121 (180deg=-0.886) USER MOD Single : A 77 CYS SG : rot 140:sc=-0.000965 USER MOD Single : A 78 SER OG : rot 180:sc= -0.467 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -21:sc= 1.57 USER MOD Single : A 88 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.4) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.331 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.488 -0.482 0.369 1.00 0.00 N ATOM 2 CA MET A 1 1.991 -0.093 -0.943 1.00 0.00 C ATOM 3 C MET A 1 1.422 -0.996 -2.033 1.00 0.00 C ATOM 4 O MET A 1 1.288 -2.205 -1.844 1.00 0.00 O ATOM 5 CB MET A 1 3.520 -0.150 -0.964 1.00 0.00 C ATOM 6 CG MET A 1 4.137 0.554 -2.162 1.00 0.00 C ATOM 7 SD MET A 1 5.939 0.476 -2.160 1.00 0.00 S ATOM 8 CE MET A 1 6.213 -1.034 -3.084 1.00 0.00 C ATOM 0 H1 MET A 1 2.259 -0.431 1.065 1.00 0.00 H new ATOM 0 H2 MET A 1 0.723 0.162 0.652 1.00 0.00 H new ATOM 0 H3 MET A 1 1.123 -1.455 0.326 1.00 0.00 H new ATOM 0 HA MET A 1 1.670 0.930 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.905 0.301 -0.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.837 -1.193 -0.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.758 0.102 -3.079 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.822 1.598 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.284 -1.220 -3.169 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.740 -1.868 -2.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.782 -0.934 -4.080 1.00 0.00 H new ATOM 18 N GLY A 2 1.088 -0.401 -3.174 1.00 0.00 N ATOM 19 CA GLY A 2 0.537 -1.167 -4.277 1.00 0.00 C ATOM 20 C GLY A 2 -0.977 -1.110 -4.323 1.00 0.00 C ATOM 21 O GLY A 2 -1.587 -1.414 -5.348 1.00 0.00 O ATOM 0 H GLY A 2 1.189 0.598 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.940 -0.788 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.856 -2.206 -4.189 1.00 0.00 H new ATOM 25 N VAL A 3 -1.587 -0.720 -3.208 1.00 0.00 N ATOM 26 CA VAL A 3 -3.040 -0.624 -3.124 1.00 0.00 C ATOM 27 C VAL A 3 -3.464 0.487 -2.171 1.00 0.00 C ATOM 28 O VAL A 3 -3.072 0.500 -1.004 1.00 0.00 O ATOM 29 CB VAL A 3 -3.664 -1.952 -2.657 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.050 -2.396 -1.338 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.174 -1.816 -2.532 1.00 0.00 C ATOM 0 H VAL A 3 -1.097 -0.465 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.400 -0.395 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.451 -2.716 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.503 -3.336 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.976 -2.535 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.230 -1.635 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.599 -2.764 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.410 -1.039 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.597 -1.548 -3.500 1.00 0.00 H new ATOM 41 N GLN A 4 -4.267 1.418 -2.675 1.00 0.00 N ATOM 42 CA GLN A 4 -4.744 2.535 -1.868 1.00 0.00 C ATOM 43 C GLN A 4 -6.261 2.493 -1.723 1.00 0.00 C ATOM 44 O GLN A 4 -6.979 2.202 -2.680 1.00 0.00 O ATOM 45 CB GLN A 4 -4.316 3.864 -2.493 1.00 0.00 C ATOM 46 CG GLN A 4 -3.081 4.470 -1.847 1.00 0.00 C ATOM 47 CD GLN A 4 -1.798 3.800 -2.297 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.326 4.022 -3.413 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.225 2.974 -1.429 1.00 0.00 N ATOM 0 H GLN A 4 -4.601 1.421 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.300 2.449 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.123 3.711 -3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.140 4.573 -2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.035 5.532 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.167 4.391 -0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.651 2.819 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.359 2.494 -1.676 1.00 0.00 H new ATOM 58 N VAL A 5 -6.744 2.785 -0.519 1.00 0.00 N ATOM 59 CA VAL A 5 -8.177 2.781 -0.249 1.00 0.00 C ATOM 60 C VAL A 5 -8.657 4.159 0.193 1.00 0.00 C ATOM 61 O VAL A 5 -8.175 4.708 1.184 1.00 0.00 O ATOM 62 CB VAL A 5 -8.541 1.750 0.836 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.730 1.997 2.100 1.00 0.00 C ATOM 64 CG2 VAL A 5 -10.032 1.793 1.133 1.00 0.00 C ATOM 0 H VAL A 5 -6.164 3.027 0.284 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.674 2.508 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.297 0.755 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.000 1.259 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.667 1.911 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.941 2.997 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.271 1.058 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.304 2.788 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.591 1.564 0.226 1.00 0.00 H new ATOM 74 N VAL A 6 -9.610 4.713 -0.549 1.00 0.00 N ATOM 75 CA VAL A 6 -10.157 6.028 -0.233 1.00 0.00 C ATOM 76 C VAL A 6 -11.632 5.933 0.141 1.00 0.00 C ATOM 77 O VAL A 6 -12.484 5.667 -0.708 1.00 0.00 O ATOM 78 CB VAL A 6 -10.000 7.000 -1.417 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.236 8.434 -0.966 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.625 6.851 -2.049 1.00 0.00 C ATOM 0 H VAL A 6 -10.020 4.272 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.593 6.410 0.618 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.749 6.753 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.121 9.106 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.245 8.527 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.512 8.697 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.531 7.545 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.858 7.070 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.499 5.830 -2.410 1.00 0.00 H new ATOM 90 N THR A 7 -11.929 6.155 1.418 1.00 0.00 N ATOM 91 CA THR A 7 -13.301 6.094 1.905 1.00 0.00 C ATOM 92 C THR A 7 -14.211 7.017 1.103 1.00 0.00 C ATOM 93 O THR A 7 -13.854 8.160 0.813 1.00 0.00 O ATOM 94 CB THR A 7 -13.385 6.477 3.395 1.00 0.00 C ATOM 95 OG1 THR A 7 -12.527 5.630 4.167 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.814 6.359 3.904 1.00 0.00 C ATOM 0 H THR A 7 -11.237 6.379 2.133 1.00 0.00 H new ATOM 0 HA THR A 7 -13.635 5.064 1.782 1.00 0.00 H new ATOM 0 HB THR A 7 -13.063 7.513 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.585 5.881 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.849 6.634 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.460 7.026 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.159 5.332 3.786 1.00 0.00 H new ATOM 104 N LEU A 8 -15.388 6.516 0.746 1.00 0.00 N ATOM 105 CA LEU A 8 -16.351 7.297 -0.024 1.00 0.00 C ATOM 106 C LEU A 8 -17.656 7.464 0.747 1.00 0.00 C ATOM 107 O LEU A 8 -18.228 8.553 0.790 1.00 0.00 O ATOM 108 CB LEU A 8 -16.623 6.624 -1.370 1.00 0.00 C ATOM 109 CG LEU A 8 -15.395 6.322 -2.230 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.675 5.160 -3.171 1.00 0.00 C ATOM 111 CD2 LEU A 8 -14.977 7.557 -3.014 1.00 0.00 C ATOM 0 H LEU A 8 -15.699 5.573 0.977 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.924 8.285 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.151 5.689 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.295 7.262 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.574 6.039 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.790 4.960 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.926 4.273 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.510 5.414 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.102 7.324 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.795 7.870 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.734 8.363 -2.321 1.00 0.00 H new ATOM 123 N ALA A 9 -18.121 6.378 1.357 1.00 0.00 N ATOM 124 CA ALA A 9 -19.356 6.406 2.130 1.00 0.00 C ATOM 125 C ALA A 9 -19.230 5.566 3.396 1.00 0.00 C ATOM 126 O ALA A 9 -19.302 4.338 3.348 1.00 0.00 O ATOM 127 CB ALA A 9 -20.520 5.914 1.282 1.00 0.00 C ATOM 0 H ALA A 9 -17.661 5.468 1.330 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.547 7.437 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.436 5.940 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.632 6.557 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.327 4.892 0.957 1.00 0.00 H new ATOM 133 N ALA A 10 -19.042 6.236 4.528 1.00 0.00 N ATOM 134 CA ALA A 10 -18.907 5.551 5.808 1.00 0.00 C ATOM 135 C ALA A 10 -20.052 4.568 6.027 1.00 0.00 C ATOM 136 O ALA A 10 -21.171 4.790 5.567 1.00 0.00 O ATOM 137 CB ALA A 10 -18.851 6.561 6.944 1.00 0.00 C ATOM 0 H ALA A 10 -18.980 7.253 4.585 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.975 4.986 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.750 6.035 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.995 7.221 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.767 7.151 6.952 1.00 0.00 H new ATOM 143 N GLY A 11 -19.764 3.479 6.734 1.00 0.00 N ATOM 144 CA GLY A 11 -20.780 2.477 7.001 1.00 0.00 C ATOM 145 C GLY A 11 -20.876 2.127 8.472 1.00 0.00 C ATOM 146 O GLY A 11 -21.051 3.006 9.317 1.00 0.00 O ATOM 0 H GLY A 11 -18.845 3.273 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.746 2.842 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.556 1.576 6.430 1.00 0.00 H new ATOM 150 N ASP A 12 -20.763 0.840 8.781 1.00 0.00 N ATOM 151 CA ASP A 12 -20.838 0.375 10.161 1.00 0.00 C ATOM 152 C ASP A 12 -19.544 0.678 10.908 1.00 0.00 C ATOM 153 O ASP A 12 -19.546 0.857 12.126 1.00 0.00 O ATOM 154 CB ASP A 12 -21.125 -1.127 10.201 1.00 0.00 C ATOM 155 CG ASP A 12 -21.587 -1.593 11.568 1.00 0.00 C ATOM 156 OD1 ASP A 12 -22.177 -0.775 12.304 1.00 0.00 O ATOM 157 OD2 ASP A 12 -21.357 -2.774 11.901 1.00 0.00 O ATOM 0 H ASP A 12 -20.619 0.100 8.094 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.653 0.906 10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.889 -1.368 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.225 -1.673 9.919 1.00 0.00 H new ATOM 162 N GLU A 13 -18.439 0.733 10.170 1.00 0.00 N ATOM 163 CA GLU A 13 -17.137 1.013 10.765 1.00 0.00 C ATOM 164 C GLU A 13 -16.989 0.303 12.108 1.00 0.00 C ATOM 165 O GLU A 13 -16.466 0.870 13.067 1.00 0.00 O ATOM 166 CB GLU A 13 -16.949 2.520 10.948 1.00 0.00 C ATOM 167 CG GLU A 13 -17.934 3.143 11.924 1.00 0.00 C ATOM 168 CD GLU A 13 -17.472 4.493 12.437 1.00 0.00 C ATOM 169 OE1 GLU A 13 -17.343 5.427 11.618 1.00 0.00 O ATOM 170 OE2 GLU A 13 -17.241 4.615 13.658 1.00 0.00 O ATOM 0 H GLU A 13 -18.419 0.588 9.161 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.368 0.638 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.934 2.711 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.050 3.010 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.902 3.256 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.080 2.468 12.768 1.00 0.00 H new ATOM 177 N ALA A 14 -17.454 -0.940 12.168 1.00 0.00 N ATOM 178 CA ALA A 14 -17.372 -1.728 13.392 1.00 0.00 C ATOM 179 C ALA A 14 -17.149 -3.204 13.080 1.00 0.00 C ATOM 180 O ALA A 14 -16.360 -3.877 13.743 1.00 0.00 O ATOM 181 CB ALA A 14 -18.634 -1.546 14.222 1.00 0.00 C ATOM 0 H ALA A 14 -17.891 -1.423 11.384 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.518 -1.372 13.968 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.559 -2.140 15.133 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.749 -0.494 14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.499 -1.873 13.645 1.00 0.00 H new ATOM 187 N THR A 15 -17.851 -3.703 12.067 1.00 0.00 N ATOM 188 CA THR A 15 -17.731 -5.100 11.669 1.00 0.00 C ATOM 189 C THR A 15 -16.800 -5.253 10.472 1.00 0.00 C ATOM 190 O THR A 15 -17.132 -4.843 9.359 1.00 0.00 O ATOM 191 CB THR A 15 -19.104 -5.703 11.318 1.00 0.00 C ATOM 192 OG1 THR A 15 -20.113 -5.161 12.177 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.079 -7.218 11.450 1.00 0.00 C ATOM 0 H THR A 15 -18.509 -3.160 11.507 1.00 0.00 H new ATOM 0 HA THR A 15 -17.313 -5.637 12.521 1.00 0.00 H new ATOM 0 HB THR A 15 -19.334 -5.447 10.284 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.399 -4.288 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.059 -7.621 11.197 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.331 -7.630 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.828 -7.490 12.475 1.00 0.00 H new ATOM 201 N TYR A 16 -15.635 -5.845 10.707 1.00 0.00 N ATOM 202 CA TYR A 16 -14.655 -6.051 9.647 1.00 0.00 C ATOM 203 C TYR A 16 -14.451 -7.538 9.375 1.00 0.00 C ATOM 204 O TYR A 16 -14.657 -8.388 10.240 1.00 0.00 O ATOM 205 CB TYR A 16 -13.321 -5.403 10.025 1.00 0.00 C ATOM 206 CG TYR A 16 -13.409 -3.905 10.216 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.994 -3.364 11.354 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.907 -3.032 9.259 1.00 0.00 C ATOM 209 CE1 TYR A 16 -14.077 -1.996 11.533 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.984 -1.664 9.430 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.570 -1.150 10.568 1.00 0.00 C ATOM 212 OH TYR A 16 -13.650 0.212 10.742 1.00 0.00 O ATOM 0 H TYR A 16 -15.346 -6.191 11.622 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.035 -5.583 8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.954 -5.857 10.945 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.588 -5.620 9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.391 -4.024 12.112 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.449 -3.430 8.366 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.536 -1.592 12.423 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.587 -1.000 8.676 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.246 0.664 9.972 1.00 0.00 H new ATOM 222 N PRO A 17 -14.035 -7.860 8.141 1.00 0.00 N ATOM 223 CA PRO A 17 -13.792 -9.244 7.724 1.00 0.00 C ATOM 224 C PRO A 17 -12.566 -9.847 8.401 1.00 0.00 C ATOM 225 O PRO A 17 -11.518 -9.208 8.496 1.00 0.00 O ATOM 226 CB PRO A 17 -13.565 -9.126 6.215 1.00 0.00 C ATOM 227 CG PRO A 17 -13.080 -7.732 6.013 1.00 0.00 C ATOM 228 CD PRO A 17 -13.768 -6.898 7.058 1.00 0.00 C ATOM 0 HA PRO A 17 -14.618 -9.901 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.833 -9.854 5.867 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.485 -9.309 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.997 -7.676 6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.319 -7.377 5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.136 -6.077 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.689 -6.456 6.677 1.00 0.00 H new ATOM 236 N LYS A 18 -12.703 -11.083 8.871 1.00 0.00 N ATOM 237 CA LYS A 18 -11.607 -11.774 9.539 1.00 0.00 C ATOM 238 C LYS A 18 -10.749 -12.533 8.531 1.00 0.00 C ATOM 239 O LYS A 18 -11.258 -13.071 7.549 1.00 0.00 O ATOM 240 CB LYS A 18 -12.152 -12.742 10.591 1.00 0.00 C ATOM 241 CG LYS A 18 -11.208 -12.965 11.760 1.00 0.00 C ATOM 242 CD LYS A 18 -11.931 -13.559 12.956 1.00 0.00 C ATOM 243 CE LYS A 18 -10.988 -13.768 14.131 1.00 0.00 C ATOM 244 NZ LYS A 18 -11.726 -13.901 15.418 1.00 0.00 N ATOM 0 H LYS A 18 -13.563 -11.627 8.801 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.985 -11.026 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.100 -12.359 10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.362 -13.701 10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.401 -13.631 11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.750 -12.018 12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.745 -12.899 13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.380 -14.512 12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.389 -14.663 13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.295 -12.929 14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.048 -14.042 16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.278 -13.037 15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.368 -14.717 15.367 1.00 0.00 H new ATOM 258 N ALA A 19 -9.444 -12.572 8.783 1.00 0.00 N ATOM 259 CA ALA A 19 -8.517 -13.268 7.900 1.00 0.00 C ATOM 260 C ALA A 19 -8.892 -14.739 7.758 1.00 0.00 C ATOM 261 O ALA A 19 -8.796 -15.509 8.713 1.00 0.00 O ATOM 262 CB ALA A 19 -7.092 -13.133 8.418 1.00 0.00 C ATOM 0 H ALA A 19 -9.006 -12.130 9.591 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.579 -12.807 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.410 -13.658 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.819 -12.079 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.025 -13.566 9.416 1.00 0.00 H new ATOM 268 N GLY A 20 -9.322 -15.123 6.560 1.00 0.00 N ATOM 269 CA GLY A 20 -9.706 -16.501 6.316 1.00 0.00 C ATOM 270 C GLY A 20 -11.209 -16.675 6.220 1.00 0.00 C ATOM 271 O GLY A 20 -11.692 -17.716 5.775 1.00 0.00 O ATOM 0 H GLY A 20 -9.411 -14.504 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.244 -16.846 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.321 -17.130 7.119 1.00 0.00 H new ATOM 275 N GLN A 21 -11.949 -15.654 6.638 1.00 0.00 N ATOM 276 CA GLN A 21 -13.406 -15.700 6.599 1.00 0.00 C ATOM 277 C GLN A 21 -13.930 -15.232 5.246 1.00 0.00 C ATOM 278 O GLN A 21 -13.206 -14.604 4.472 1.00 0.00 O ATOM 279 CB GLN A 21 -13.995 -14.835 7.715 1.00 0.00 C ATOM 280 CG GLN A 21 -14.321 -15.612 8.980 1.00 0.00 C ATOM 281 CD GLN A 21 -14.733 -14.712 10.128 1.00 0.00 C ATOM 282 OE1 GLN A 21 -14.280 -14.883 11.260 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.598 -13.746 9.842 1.00 0.00 N ATOM 0 H GLN A 21 -11.564 -14.785 7.008 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.715 -16.734 6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.289 -14.041 7.958 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.903 -14.354 7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.124 -16.319 8.771 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.451 -16.197 9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.948 -13.640 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.912 -13.110 10.575 1.00 0.00 H new ATOM 292 N VAL A 22 -15.192 -15.541 4.965 1.00 0.00 N ATOM 293 CA VAL A 22 -15.813 -15.150 3.705 1.00 0.00 C ATOM 294 C VAL A 22 -16.640 -13.881 3.870 1.00 0.00 C ATOM 295 O VAL A 22 -17.435 -13.763 4.803 1.00 0.00 O ATOM 296 CB VAL A 22 -16.715 -16.270 3.153 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.886 -16.523 4.090 1.00 0.00 C ATOM 298 CG2 VAL A 22 -17.205 -15.920 1.757 1.00 0.00 C ATOM 0 H VAL A 22 -15.805 -16.061 5.593 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.005 -14.963 2.998 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.128 -17.186 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.512 -17.317 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.511 -16.822 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -18.475 -15.612 4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.841 -16.722 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -17.776 -14.992 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.350 -15.794 1.092 1.00 0.00 H new ATOM 308 N ALA A 23 -16.449 -12.934 2.958 1.00 0.00 N ATOM 309 CA ALA A 23 -17.180 -11.673 3.001 1.00 0.00 C ATOM 310 C ALA A 23 -17.783 -11.342 1.640 1.00 0.00 C ATOM 311 O ALA A 23 -17.277 -11.772 0.604 1.00 0.00 O ATOM 312 CB ALA A 23 -16.265 -10.548 3.463 1.00 0.00 C ATOM 0 H ALA A 23 -15.794 -13.016 2.180 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.997 -11.779 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.824 -9.613 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.886 -10.774 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.429 -10.451 2.770 1.00 0.00 H new ATOM 318 N VAL A 24 -18.869 -10.575 1.650 1.00 0.00 N ATOM 319 CA VAL A 24 -19.541 -10.185 0.417 1.00 0.00 C ATOM 320 C VAL A 24 -19.523 -8.672 0.235 1.00 0.00 C ATOM 321 O VAL A 24 -19.906 -7.923 1.134 1.00 0.00 O ATOM 322 CB VAL A 24 -21.001 -10.676 0.394 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.605 -10.493 -0.990 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.080 -12.131 0.831 1.00 0.00 C ATOM 0 H VAL A 24 -19.302 -10.212 2.499 1.00 0.00 H new ATOM 0 HA VAL A 24 -18.995 -10.653 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.579 -10.077 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.636 -10.845 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.583 -9.437 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.029 -11.065 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.118 -12.462 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.489 -12.747 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.690 -12.228 1.844 1.00 0.00 H new ATOM 334 N VAL A 25 -19.075 -8.227 -0.935 1.00 0.00 N ATOM 335 CA VAL A 25 -19.007 -6.802 -1.236 1.00 0.00 C ATOM 336 C VAL A 25 -19.326 -6.534 -2.703 1.00 0.00 C ATOM 337 O VAL A 25 -19.402 -7.460 -3.511 1.00 0.00 O ATOM 338 CB VAL A 25 -17.617 -6.224 -0.910 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.094 -6.797 0.398 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.646 -6.501 -2.049 1.00 0.00 C ATOM 0 H VAL A 25 -18.754 -8.833 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.752 -6.311 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.709 -5.144 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.111 -6.377 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.780 -6.544 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.015 -7.881 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.669 -6.086 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.557 -7.577 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.017 -6.038 -2.964 1.00 0.00 H new ATOM 350 N HIS A 26 -19.512 -5.262 -3.040 1.00 0.00 N ATOM 351 CA HIS A 26 -19.822 -4.872 -4.411 1.00 0.00 C ATOM 352 C HIS A 26 -18.624 -4.190 -5.065 1.00 0.00 C ATOM 353 O HIS A 26 -18.086 -3.217 -4.538 1.00 0.00 O ATOM 354 CB HIS A 26 -21.032 -3.938 -4.436 1.00 0.00 C ATOM 355 CG HIS A 26 -22.317 -4.632 -4.767 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.541 -5.270 -5.968 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.451 -4.787 -4.043 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.757 -5.786 -5.971 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.330 -5.507 -4.814 1.00 0.00 N ATOM 0 H HIS A 26 -19.454 -4.484 -2.383 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.057 -5.774 -4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.129 -3.456 -3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.856 -3.148 -5.167 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.872 -5.334 -6.735 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.630 -4.414 -3.045 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.206 -6.341 -6.781 1.00 0.00 H new ATOM 367 N TYR A 27 -18.211 -4.709 -6.216 1.00 0.00 N ATOM 368 CA TYR A 27 -17.074 -4.153 -6.941 1.00 0.00 C ATOM 369 C TYR A 27 -17.542 -3.323 -8.133 1.00 0.00 C ATOM 370 O TYR A 27 -18.477 -3.700 -8.840 1.00 0.00 O ATOM 371 CB TYR A 27 -16.148 -5.273 -7.417 1.00 0.00 C ATOM 372 CG TYR A 27 -16.773 -6.173 -8.460 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.770 -5.819 -9.803 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.365 -7.377 -8.100 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.340 -6.638 -10.758 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.936 -8.203 -9.049 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.922 -7.829 -10.377 1.00 0.00 C ATOM 378 OH TYR A 27 -18.489 -8.649 -11.325 1.00 0.00 O ATOM 0 H TYR A 27 -18.646 -5.514 -6.667 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.525 -3.502 -6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.239 -4.832 -7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.851 -5.877 -6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.314 -4.888 -10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.379 -7.672 -7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.330 -6.347 -11.798 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.391 -9.137 -8.753 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.854 -9.448 -10.890 1.00 0.00 H new ATOM 388 N THR A 28 -16.883 -2.189 -8.351 1.00 0.00 N ATOM 389 CA THR A 28 -17.230 -1.304 -9.456 1.00 0.00 C ATOM 390 C THR A 28 -15.988 -0.877 -10.229 1.00 0.00 C ATOM 391 O THR A 28 -15.050 -0.321 -9.659 1.00 0.00 O ATOM 392 CB THR A 28 -17.969 -0.047 -8.959 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.195 -0.420 -8.320 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.259 0.901 -10.112 1.00 0.00 C ATOM 0 H THR A 28 -16.106 -1.862 -7.777 1.00 0.00 H new ATOM 0 HA THR A 28 -17.890 -1.867 -10.116 1.00 0.00 H new ATOM 0 HB THR A 28 -17.328 0.465 -8.242 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.009 -0.721 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.781 1.781 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.321 1.206 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.883 0.396 -10.850 1.00 0.00 H new ATOM 402 N GLY A 29 -15.988 -1.140 -11.533 1.00 0.00 N ATOM 403 CA GLY A 29 -14.855 -0.775 -12.363 1.00 0.00 C ATOM 404 C GLY A 29 -14.656 0.726 -12.447 1.00 0.00 C ATOM 405 O GLY A 29 -15.624 1.487 -12.489 1.00 0.00 O ATOM 0 H GLY A 29 -16.752 -1.599 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.952 -1.236 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.000 -1.176 -13.366 1.00 0.00 H new ATOM 409 N THR A 30 -13.398 1.154 -12.468 1.00 0.00 N ATOM 410 CA THR A 30 -13.075 2.574 -12.544 1.00 0.00 C ATOM 411 C THR A 30 -11.591 2.786 -12.820 1.00 0.00 C ATOM 412 O THR A 30 -10.741 2.079 -12.279 1.00 0.00 O ATOM 413 CB THR A 30 -13.454 3.306 -11.243 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.028 2.383 -10.311 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.439 4.431 -11.522 1.00 0.00 C ATOM 0 H THR A 30 -12.586 0.538 -12.433 1.00 0.00 H new ATOM 0 HA THR A 30 -13.657 2.988 -13.368 1.00 0.00 H new ATOM 0 HB THR A 30 -12.547 3.736 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.314 1.872 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.692 4.933 -10.588 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.988 5.147 -12.209 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.344 4.020 -11.969 1.00 0.00 H new ATOM 423 N LEU A 31 -11.286 3.765 -13.665 1.00 0.00 N ATOM 424 CA LEU A 31 -9.903 4.071 -14.013 1.00 0.00 C ATOM 425 C LEU A 31 -9.373 5.228 -13.171 1.00 0.00 C ATOM 426 O LEU A 31 -10.145 6.015 -12.624 1.00 0.00 O ATOM 427 CB LEU A 31 -9.794 4.416 -15.500 1.00 0.00 C ATOM 428 CG LEU A 31 -9.791 3.230 -16.465 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.707 3.714 -17.904 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.639 2.288 -16.148 1.00 0.00 C ATOM 0 H LEU A 31 -11.977 4.360 -14.121 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.299 3.188 -13.806 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.625 5.070 -15.763 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.878 4.987 -15.654 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.725 2.682 -16.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.706 2.856 -18.577 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.566 4.348 -18.125 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.789 4.285 -18.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.652 1.450 -16.845 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.694 2.824 -16.243 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.744 1.915 -15.129 1.00 0.00 H new ATOM 442 N ALA A 32 -8.052 5.326 -13.074 1.00 0.00 N ATOM 443 CA ALA A 32 -7.419 6.388 -12.303 1.00 0.00 C ATOM 444 C ALA A 32 -7.831 7.762 -12.820 1.00 0.00 C ATOM 445 O ALA A 32 -7.758 8.756 -12.098 1.00 0.00 O ATOM 446 CB ALA A 32 -5.905 6.239 -12.342 1.00 0.00 C ATOM 0 H ALA A 32 -7.399 4.682 -13.520 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.755 6.302 -11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.446 7.039 -11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.623 5.275 -11.918 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.560 6.296 -13.375 1.00 0.00 H new ATOM 452 N ASP A 33 -8.263 7.811 -14.076 1.00 0.00 N ATOM 453 CA ASP A 33 -8.687 9.064 -14.690 1.00 0.00 C ATOM 454 C ASP A 33 -10.127 9.395 -14.310 1.00 0.00 C ATOM 455 O ASP A 33 -10.585 10.522 -14.495 1.00 0.00 O ATOM 456 CB ASP A 33 -8.555 8.981 -16.211 1.00 0.00 C ATOM 457 CG ASP A 33 -7.125 8.743 -16.656 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.354 9.723 -16.728 1.00 0.00 O ATOM 459 OD2 ASP A 33 -6.776 7.575 -16.930 1.00 0.00 O ATOM 0 H ASP A 33 -8.329 6.998 -14.688 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.040 9.859 -14.319 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.187 8.175 -16.584 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.922 9.906 -16.656 1.00 0.00 H new ATOM 464 N GLY A 34 -10.837 8.405 -13.778 1.00 0.00 N ATOM 465 CA GLY A 34 -12.217 8.611 -13.381 1.00 0.00 C ATOM 466 C GLY A 34 -13.193 7.859 -14.265 1.00 0.00 C ATOM 467 O GLY A 34 -14.356 7.676 -13.904 1.00 0.00 O ATOM 0 H GLY A 34 -10.481 7.463 -13.615 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.346 8.290 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.447 9.676 -13.415 1.00 0.00 H new ATOM 471 N LYS A 35 -12.720 7.422 -15.427 1.00 0.00 N ATOM 472 CA LYS A 35 -13.558 6.686 -16.367 1.00 0.00 C ATOM 473 C LYS A 35 -14.252 5.517 -15.676 1.00 0.00 C ATOM 474 O LYS A 35 -13.599 4.586 -15.203 1.00 0.00 O ATOM 475 CB LYS A 35 -12.718 6.175 -17.539 1.00 0.00 C ATOM 476 CG LYS A 35 -13.239 6.611 -18.897 1.00 0.00 C ATOM 477 CD LYS A 35 -14.634 6.069 -19.159 1.00 0.00 C ATOM 478 CE LYS A 35 -15.569 7.157 -19.665 1.00 0.00 C ATOM 479 NZ LYS A 35 -16.611 7.504 -18.659 1.00 0.00 N ATOM 0 H LYS A 35 -11.760 7.565 -15.741 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.321 7.366 -16.745 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.693 6.528 -17.422 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.686 5.086 -17.504 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.255 7.700 -18.949 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.561 6.264 -19.677 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.581 5.264 -19.892 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.037 5.639 -18.242 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.991 8.048 -19.911 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.049 6.824 -20.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.239 8.237 -19.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.169 6.656 -18.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.155 7.862 -17.796 1.00 0.00 H new ATOM 493 N VAL A 36 -15.579 5.569 -15.622 1.00 0.00 N ATOM 494 CA VAL A 36 -16.361 4.513 -14.992 1.00 0.00 C ATOM 495 C VAL A 36 -16.418 3.270 -15.873 1.00 0.00 C ATOM 496 O VAL A 36 -16.473 3.368 -17.099 1.00 0.00 O ATOM 497 CB VAL A 36 -17.797 4.981 -14.691 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.597 5.114 -15.978 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.479 4.023 -13.726 1.00 0.00 C ATOM 0 H VAL A 36 -16.135 6.332 -16.008 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.862 4.268 -14.054 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.749 5.962 -14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.609 5.446 -15.745 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.117 5.843 -16.631 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.639 4.148 -16.482 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.493 4.370 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.517 3.027 -14.168 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.917 3.985 -12.793 1.00 0.00 H new ATOM 509 N PHE A 37 -16.405 2.102 -15.240 1.00 0.00 N ATOM 510 CA PHE A 37 -16.455 0.838 -15.967 1.00 0.00 C ATOM 511 C PHE A 37 -17.596 -0.037 -15.458 1.00 0.00 C ATOM 512 O PHE A 37 -18.388 0.384 -14.615 1.00 0.00 O ATOM 513 CB PHE A 37 -15.125 0.094 -15.829 1.00 0.00 C ATOM 514 CG PHE A 37 -14.149 0.401 -16.928 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.538 1.642 -17.004 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.843 -0.552 -17.887 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.639 1.928 -18.014 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.945 -0.272 -18.899 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.343 0.970 -18.964 1.00 0.00 C ATOM 0 H PHE A 37 -16.360 2.004 -14.226 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.632 1.059 -17.020 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.673 0.350 -14.871 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.318 -0.979 -15.815 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.767 2.395 -16.265 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.312 -1.524 -17.843 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.169 2.899 -18.060 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.714 -1.024 -19.639 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.643 1.191 -19.756 1.00 0.00 H new ATOM 529 N ASP A 38 -17.674 -1.257 -15.977 1.00 0.00 N ATOM 530 CA ASP A 38 -18.718 -2.194 -15.576 1.00 0.00 C ATOM 531 C ASP A 38 -18.705 -2.407 -14.066 1.00 0.00 C ATOM 532 O ASP A 38 -17.659 -2.674 -13.475 1.00 0.00 O ATOM 533 CB ASP A 38 -18.536 -3.532 -16.294 1.00 0.00 C ATOM 534 CG ASP A 38 -19.847 -4.265 -16.495 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.790 -3.655 -17.042 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.931 -5.448 -16.107 1.00 0.00 O ATOM 0 H ASP A 38 -17.027 -1.621 -16.676 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.681 -1.769 -15.857 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.067 -3.360 -17.263 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.857 -4.160 -15.718 1.00 0.00 H new ATOM 541 N SER A 39 -19.875 -2.286 -13.447 1.00 0.00 N ATOM 542 CA SER A 39 -19.998 -2.460 -12.004 1.00 0.00 C ATOM 543 C SER A 39 -21.028 -3.537 -11.673 1.00 0.00 C ATOM 544 O SER A 39 -22.023 -3.697 -12.379 1.00 0.00 O ATOM 545 CB SER A 39 -20.394 -1.139 -11.341 1.00 0.00 C ATOM 546 OG SER A 39 -21.786 -0.907 -11.459 1.00 0.00 O ATOM 0 H SER A 39 -20.751 -2.068 -13.922 1.00 0.00 H new ATOM 0 HA SER A 39 -19.029 -2.776 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.113 -1.158 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.845 -0.318 -11.802 1.00 0.00 H new ATOM 0 HG SER A 39 -22.014 -0.058 -11.026 1.00 0.00 H new ATOM 552 N SER A 40 -20.780 -4.272 -10.594 1.00 0.00 N ATOM 553 CA SER A 40 -21.682 -5.336 -10.170 1.00 0.00 C ATOM 554 C SER A 40 -22.901 -4.762 -9.456 1.00 0.00 C ATOM 555 O SER A 40 -23.973 -5.368 -9.448 1.00 0.00 O ATOM 556 CB SER A 40 -20.952 -6.316 -9.249 1.00 0.00 C ATOM 557 OG SER A 40 -20.126 -5.629 -8.325 1.00 0.00 O ATOM 0 H SER A 40 -19.962 -4.150 -9.997 1.00 0.00 H new ATOM 0 HA SER A 40 -22.020 -5.868 -11.059 1.00 0.00 H new ATOM 0 HB2 SER A 40 -21.679 -6.923 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.346 -6.998 -9.846 1.00 0.00 H new ATOM 0 HG SER A 40 -19.238 -5.494 -8.718 1.00 0.00 H new ATOM 563 N ARG A 41 -22.730 -3.588 -8.856 1.00 0.00 N ATOM 564 CA ARG A 41 -23.815 -2.931 -8.138 1.00 0.00 C ATOM 565 C ARG A 41 -25.050 -2.794 -9.025 1.00 0.00 C ATOM 566 O ARG A 41 -26.160 -3.142 -8.621 1.00 0.00 O ATOM 567 CB ARG A 41 -23.370 -1.552 -7.649 1.00 0.00 C ATOM 568 CG ARG A 41 -22.118 -1.586 -6.788 1.00 0.00 C ATOM 569 CD ARG A 41 -21.549 -0.192 -6.578 1.00 0.00 C ATOM 570 NE ARG A 41 -22.508 0.700 -5.931 1.00 0.00 N ATOM 571 CZ ARG A 41 -22.394 2.023 -5.927 1.00 0.00 C ATOM 572 NH1 ARG A 41 -21.368 2.606 -6.532 1.00 0.00 N ATOM 573 NH2 ARG A 41 -23.308 2.767 -5.316 1.00 0.00 N ATOM 0 H ARG A 41 -21.850 -3.073 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 41 -24.073 -3.548 -7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -23.190 -0.911 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -24.181 -1.099 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -22.351 -2.034 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -21.367 -2.219 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -20.647 -0.257 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -21.255 0.228 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 41 -23.309 0.284 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.663 2.038 -7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.283 3.622 -6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -24.098 2.322 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -23.220 3.783 -5.313 1.00 0.00 H new ATOM 587 N THR A 42 -24.848 -2.285 -10.236 1.00 0.00 N ATOM 588 CA THR A 42 -25.944 -2.100 -11.179 1.00 0.00 C ATOM 589 C THR A 42 -26.630 -3.425 -11.491 1.00 0.00 C ATOM 590 O THR A 42 -27.776 -3.451 -11.941 1.00 0.00 O ATOM 591 CB THR A 42 -25.452 -1.468 -12.495 1.00 0.00 C ATOM 592 OG1 THR A 42 -26.570 -1.125 -13.321 1.00 0.00 O ATOM 593 CG2 THR A 42 -24.535 -2.422 -13.244 1.00 0.00 C ATOM 0 H THR A 42 -23.936 -1.994 -10.587 1.00 0.00 H new ATOM 0 HA THR A 42 -26.658 -1.426 -10.705 1.00 0.00 H new ATOM 0 HB THR A 42 -24.890 -0.566 -12.252 1.00 0.00 H new ATOM 0 HG1 THR A 42 -27.306 -1.749 -13.151 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.201 -1.954 -14.170 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.670 -2.658 -12.624 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.076 -3.339 -13.476 1.00 0.00 H new ATOM 601 N ARG A 43 -25.923 -4.524 -11.248 1.00 0.00 N ATOM 602 CA ARG A 43 -26.465 -5.853 -11.504 1.00 0.00 C ATOM 603 C ARG A 43 -26.985 -6.485 -10.216 1.00 0.00 C ATOM 604 O ARG A 43 -27.465 -7.618 -10.218 1.00 0.00 O ATOM 605 CB ARG A 43 -25.397 -6.751 -12.130 1.00 0.00 C ATOM 606 CG ARG A 43 -24.789 -6.180 -13.400 1.00 0.00 C ATOM 607 CD ARG A 43 -23.515 -6.914 -13.787 1.00 0.00 C ATOM 608 NE ARG A 43 -23.795 -8.175 -14.469 1.00 0.00 N ATOM 609 CZ ARG A 43 -24.125 -8.258 -15.753 1.00 0.00 C ATOM 610 NH1 ARG A 43 -24.215 -7.160 -16.491 1.00 0.00 N ATOM 611 NH2 ARG A 43 -24.366 -9.442 -16.302 1.00 0.00 N ATOM 0 H ARG A 43 -24.974 -4.520 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 43 -27.297 -5.751 -12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -24.604 -6.920 -11.402 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -25.837 -7.723 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -25.511 -6.249 -14.213 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -24.571 -5.122 -13.256 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -22.913 -6.277 -14.435 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.923 -7.109 -12.893 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.734 -9.039 -13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.031 -6.248 -16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -24.469 -7.227 -17.477 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -24.298 -10.289 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -24.619 -9.505 -17.288 1.00 0.00 H new ATOM 625 N GLY A 44 -26.886 -5.744 -9.116 1.00 0.00 N ATOM 626 CA GLY A 44 -27.349 -6.248 -7.837 1.00 0.00 C ATOM 627 C GLY A 44 -26.759 -7.603 -7.499 1.00 0.00 C ATOM 628 O GLY A 44 -27.350 -8.377 -6.746 1.00 0.00 O ATOM 0 H GLY A 44 -26.493 -4.803 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -27.088 -5.536 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.436 -6.322 -7.851 1.00 0.00 H new ATOM 632 N LYS A 45 -25.589 -7.892 -8.059 1.00 0.00 N ATOM 633 CA LYS A 45 -24.917 -9.163 -7.815 1.00 0.00 C ATOM 634 C LYS A 45 -23.538 -8.940 -7.201 1.00 0.00 C ATOM 635 O LYS A 45 -22.527 -8.860 -7.899 1.00 0.00 O ATOM 636 CB LYS A 45 -24.785 -9.953 -9.119 1.00 0.00 C ATOM 637 CG LYS A 45 -25.000 -11.447 -8.950 1.00 0.00 C ATOM 638 CD LYS A 45 -23.732 -12.144 -8.487 1.00 0.00 C ATOM 639 CE LYS A 45 -24.043 -13.304 -7.553 1.00 0.00 C ATOM 640 NZ LYS A 45 -24.671 -12.842 -6.285 1.00 0.00 N ATOM 0 H LYS A 45 -25.086 -7.263 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 45 -25.521 -9.735 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.507 -9.570 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.794 -9.782 -9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -25.797 -11.621 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -25.328 -11.878 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.180 -12.510 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.087 -11.428 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.710 -14.005 -8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.124 -13.845 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.459 -13.520 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.292 -11.907 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.701 -12.775 -6.412 1.00 0.00 H new ATOM 654 N PRO A 46 -23.494 -8.840 -5.864 1.00 0.00 N ATOM 655 CA PRO A 46 -22.245 -8.627 -5.127 1.00 0.00 C ATOM 656 C PRO A 46 -21.335 -9.851 -5.163 1.00 0.00 C ATOM 657 O PRO A 46 -21.807 -10.987 -5.201 1.00 0.00 O ATOM 658 CB PRO A 46 -22.718 -8.355 -3.697 1.00 0.00 C ATOM 659 CG PRO A 46 -24.043 -9.030 -3.602 1.00 0.00 C ATOM 660 CD PRO A 46 -24.660 -8.927 -4.969 1.00 0.00 C ATOM 0 HA PRO A 46 -21.652 -7.819 -5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.016 -8.755 -2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -22.804 -7.285 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -23.929 -10.072 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -24.672 -8.550 -2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -25.278 -9.795 -5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.300 -8.049 -5.056 1.00 0.00 H new ATOM 668 N PHE A 47 -20.028 -9.611 -5.151 1.00 0.00 N ATOM 669 CA PHE A 47 -19.052 -10.694 -5.183 1.00 0.00 C ATOM 670 C PHE A 47 -18.607 -11.067 -3.772 1.00 0.00 C ATOM 671 O PHE A 47 -18.279 -10.199 -2.963 1.00 0.00 O ATOM 672 CB PHE A 47 -17.838 -10.290 -6.022 1.00 0.00 C ATOM 673 CG PHE A 47 -17.093 -11.459 -6.600 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.563 -12.106 -7.732 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.923 -11.912 -6.012 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.880 -13.182 -8.267 1.00 0.00 C ATOM 677 CE2 PHE A 47 -15.236 -12.987 -6.542 1.00 0.00 C ATOM 678 CZ PHE A 47 -15.715 -13.623 -7.670 1.00 0.00 C ATOM 0 H PHE A 47 -19.620 -8.677 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 47 -19.526 -11.564 -5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.167 -9.642 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.157 -9.705 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.474 -11.765 -8.202 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.544 -11.419 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.256 -13.677 -9.150 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.325 -13.330 -6.074 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.180 -14.464 -8.085 1.00 0.00 H new ATOM 688 N ARG A 48 -18.600 -12.364 -3.484 1.00 0.00 N ATOM 689 CA ARG A 48 -18.198 -12.853 -2.170 1.00 0.00 C ATOM 690 C ARG A 48 -17.020 -13.816 -2.286 1.00 0.00 C ATOM 691 O ARG A 48 -16.907 -14.561 -3.260 1.00 0.00 O ATOM 692 CB ARG A 48 -19.373 -13.548 -1.480 1.00 0.00 C ATOM 693 CG ARG A 48 -19.771 -14.863 -2.130 1.00 0.00 C ATOM 694 CD ARG A 48 -19.183 -16.052 -1.387 1.00 0.00 C ATOM 695 NE ARG A 48 -18.206 -16.775 -2.198 1.00 0.00 N ATOM 696 CZ ARG A 48 -18.526 -17.482 -3.276 1.00 0.00 C ATOM 697 NH1 ARG A 48 -19.789 -17.560 -3.671 1.00 0.00 N ATOM 698 NH2 ARG A 48 -17.581 -18.113 -3.962 1.00 0.00 N ATOM 0 H ARG A 48 -18.868 -13.095 -4.142 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.888 -11.997 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.114 -13.732 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.232 -12.877 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.858 -14.946 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.431 -14.876 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.708 -15.707 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.985 -16.730 -1.095 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.225 -16.735 -1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.518 -17.076 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.032 -18.104 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.608 -18.055 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.828 -18.656 -4.790 1.00 0.00 H new ATOM 712 N PHE A 49 -16.146 -13.795 -1.286 1.00 0.00 N ATOM 713 CA PHE A 49 -14.975 -14.665 -1.276 1.00 0.00 C ATOM 714 C PHE A 49 -14.291 -14.641 0.088 1.00 0.00 C ATOM 715 O PHE A 49 -14.691 -13.896 0.984 1.00 0.00 O ATOM 716 CB PHE A 49 -13.986 -14.237 -2.362 1.00 0.00 C ATOM 717 CG PHE A 49 -13.425 -12.860 -2.153 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.270 -12.674 -1.410 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.051 -11.752 -2.700 1.00 0.00 C ATOM 720 CE1 PHE A 49 -11.752 -11.408 -1.215 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.537 -10.483 -2.509 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.385 -10.311 -1.767 1.00 0.00 C ATOM 0 H PHE A 49 -16.226 -13.186 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.308 -15.683 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.165 -14.953 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.484 -14.275 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.769 -13.528 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -14.951 -11.881 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.853 -11.276 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.036 -9.627 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 49 -11.980 -9.321 -1.619 1.00 0.00 H new ATOM 732 N THR A 50 -13.257 -15.463 0.240 1.00 0.00 N ATOM 733 CA THR A 50 -12.518 -15.538 1.494 1.00 0.00 C ATOM 734 C THR A 50 -11.378 -14.527 1.521 1.00 0.00 C ATOM 735 O THR A 50 -10.417 -14.639 0.760 1.00 0.00 O ATOM 736 CB THR A 50 -11.945 -16.949 1.724 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.007 -17.907 1.778 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.141 -17.002 3.014 1.00 0.00 C ATOM 0 H THR A 50 -12.913 -16.086 -0.490 1.00 0.00 H new ATOM 0 HA THR A 50 -13.224 -15.306 2.292 1.00 0.00 H new ATOM 0 HB THR A 50 -11.283 -17.189 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.634 -18.801 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.746 -18.008 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.315 -16.293 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.785 -16.743 3.855 1.00 0.00 H new ATOM 746 N VAL A 51 -11.489 -13.540 2.404 1.00 0.00 N ATOM 747 CA VAL A 51 -10.465 -12.509 2.532 1.00 0.00 C ATOM 748 C VAL A 51 -9.147 -13.102 3.016 1.00 0.00 C ATOM 749 O VAL A 51 -8.968 -13.358 4.206 1.00 0.00 O ATOM 750 CB VAL A 51 -10.905 -11.400 3.506 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.948 -10.219 3.437 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.329 -10.960 3.204 1.00 0.00 C ATOM 0 H VAL A 51 -12.278 -13.432 3.042 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.324 -12.077 1.541 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.880 -11.800 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.274 -9.445 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.944 -10.548 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.939 -9.817 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.623 -10.176 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.383 -10.578 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.003 -11.811 3.309 1.00 0.00 H new ATOM 762 N GLY A 52 -8.224 -13.318 2.083 1.00 0.00 N ATOM 763 CA GLY A 52 -6.932 -13.879 2.434 1.00 0.00 C ATOM 764 C GLY A 52 -6.605 -15.125 1.635 1.00 0.00 C ATOM 765 O GLY A 52 -5.464 -15.588 1.634 1.00 0.00 O ATOM 0 H GLY A 52 -8.348 -13.115 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.157 -13.131 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.920 -14.119 3.497 1.00 0.00 H new ATOM 769 N ARG A 53 -7.608 -15.671 0.956 1.00 0.00 N ATOM 770 CA ARG A 53 -7.422 -16.873 0.152 1.00 0.00 C ATOM 771 C ARG A 53 -6.759 -16.538 -1.181 1.00 0.00 C ATOM 772 O ARG A 53 -6.624 -15.370 -1.543 1.00 0.00 O ATOM 773 CB ARG A 53 -8.766 -17.561 -0.094 1.00 0.00 C ATOM 774 CG ARG A 53 -9.111 -18.612 0.949 1.00 0.00 C ATOM 775 CD ARG A 53 -8.232 -19.845 0.810 1.00 0.00 C ATOM 776 NE ARG A 53 -8.833 -21.019 1.436 1.00 0.00 N ATOM 777 CZ ARG A 53 -9.880 -21.664 0.934 1.00 0.00 C ATOM 778 NH1 ARG A 53 -10.439 -21.251 -0.195 1.00 0.00 N ATOM 779 NH2 ARG A 53 -10.371 -22.726 1.562 1.00 0.00 N ATOM 0 H ARG A 53 -8.558 -15.300 0.946 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.770 -17.551 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.553 -16.807 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.750 -18.029 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.991 -18.189 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.158 -18.897 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.056 -20.048 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.260 -19.650 1.263 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.427 -21.363 2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.065 -20.436 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.243 -21.749 -0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.944 -23.047 2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.175 -23.220 1.176 1.00 0.00 H new ATOM 793 N GLY A 54 -6.345 -17.573 -1.907 1.00 0.00 N ATOM 794 CA GLY A 54 -5.700 -17.368 -3.191 1.00 0.00 C ATOM 795 C GLY A 54 -6.685 -17.383 -4.343 1.00 0.00 C ATOM 796 O GLY A 54 -6.296 -17.557 -5.497 1.00 0.00 O ATOM 0 H GLY A 54 -6.445 -18.549 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.172 -16.415 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.952 -18.145 -3.347 1.00 0.00 H new ATOM 800 N GLU A 55 -7.964 -17.201 -4.029 1.00 0.00 N ATOM 801 CA GLU A 55 -9.007 -17.197 -5.048 1.00 0.00 C ATOM 802 C GLU A 55 -9.184 -15.802 -5.640 1.00 0.00 C ATOM 803 O GLU A 55 -9.672 -15.647 -6.759 1.00 0.00 O ATOM 804 CB GLU A 55 -10.331 -17.684 -4.456 1.00 0.00 C ATOM 805 CG GLU A 55 -10.216 -19.003 -3.711 1.00 0.00 C ATOM 806 CD GLU A 55 -11.568 -19.599 -3.369 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.285 -20.017 -4.303 1.00 0.00 O ATOM 808 OE2 GLU A 55 -11.909 -19.648 -2.169 1.00 0.00 O ATOM 0 H GLU A 55 -8.302 -17.055 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.703 -17.875 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.716 -16.925 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.060 -17.792 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.654 -19.712 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.648 -18.850 -2.793 1.00 0.00 H new ATOM 815 N VAL A 56 -8.784 -14.787 -4.879 1.00 0.00 N ATOM 816 CA VAL A 56 -8.897 -13.405 -5.327 1.00 0.00 C ATOM 817 C VAL A 56 -7.522 -12.774 -5.517 1.00 0.00 C ATOM 818 O VAL A 56 -6.497 -13.429 -5.328 1.00 0.00 O ATOM 819 CB VAL A 56 -9.706 -12.555 -4.329 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.188 -12.885 -4.425 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.195 -12.769 -2.912 1.00 0.00 C ATOM 0 H VAL A 56 -8.379 -14.897 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.420 -13.425 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.575 -11.503 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.743 -12.275 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.542 -12.677 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.341 -13.940 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.777 -12.161 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.295 -13.821 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.146 -12.479 -2.856 1.00 0.00 H new ATOM 831 N ILE A 57 -7.509 -11.499 -5.890 1.00 0.00 N ATOM 832 CA ILE A 57 -6.260 -10.779 -6.104 1.00 0.00 C ATOM 833 C ILE A 57 -5.819 -10.055 -4.836 1.00 0.00 C ATOM 834 O ILE A 57 -6.633 -9.768 -3.958 1.00 0.00 O ATOM 835 CB ILE A 57 -6.388 -9.755 -7.247 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.560 -8.808 -6.984 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.565 -10.469 -8.579 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.324 -7.401 -7.486 1.00 0.00 C ATOM 0 H ILE A 57 -8.349 -10.943 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.510 -11.522 -6.376 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.472 -9.165 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.455 -9.209 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.756 -8.775 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.654 -9.733 -9.378 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.701 -11.106 -8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.467 -11.080 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.196 -6.785 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.448 -6.980 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.158 -7.422 -8.563 1.00 0.00 H new ATOM 850 N ARG A 58 -4.525 -9.762 -4.748 1.00 0.00 N ATOM 851 CA ARG A 58 -3.976 -9.070 -3.588 1.00 0.00 C ATOM 852 C ARG A 58 -4.755 -7.791 -3.298 1.00 0.00 C ATOM 853 O ARG A 58 -5.085 -7.500 -2.149 1.00 0.00 O ATOM 854 CB ARG A 58 -2.500 -8.740 -3.816 1.00 0.00 C ATOM 855 CG ARG A 58 -1.641 -9.960 -4.107 1.00 0.00 C ATOM 856 CD ARG A 58 -1.185 -10.639 -2.825 1.00 0.00 C ATOM 857 NE ARG A 58 -0.019 -11.491 -3.042 1.00 0.00 N ATOM 858 CZ ARG A 58 0.464 -12.323 -2.126 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.117 -12.415 -0.938 1.00 0.00 N ATOM 860 NH2 ARG A 58 1.529 -13.065 -2.398 1.00 0.00 N ATOM 0 H ARG A 58 -3.838 -9.993 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.065 -9.732 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.417 -8.041 -4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.109 -8.233 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.206 -10.668 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.771 -9.662 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.946 -9.881 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.002 -11.238 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 58 0.450 -11.445 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.937 -11.846 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.256 -13.055 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.978 -12.997 -3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.899 -13.704 -1.694 1.00 0.00 H new ATOM 874 N GLY A 59 -5.047 -7.030 -4.349 1.00 0.00 N ATOM 875 CA GLY A 59 -5.784 -5.791 -4.186 1.00 0.00 C ATOM 876 C GLY A 59 -7.044 -5.970 -3.361 1.00 0.00 C ATOM 877 O GLY A 59 -7.181 -5.380 -2.290 1.00 0.00 O ATOM 0 H GLY A 59 -4.786 -7.250 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.143 -5.050 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.049 -5.397 -5.167 1.00 0.00 H new ATOM 881 N TRP A 60 -7.965 -6.785 -3.862 1.00 0.00 N ATOM 882 CA TRP A 60 -9.221 -7.038 -3.165 1.00 0.00 C ATOM 883 C TRP A 60 -8.965 -7.561 -1.755 1.00 0.00 C ATOM 884 O TRP A 60 -9.627 -7.150 -0.802 1.00 0.00 O ATOM 885 CB TRP A 60 -10.069 -8.041 -3.948 1.00 0.00 C ATOM 886 CG TRP A 60 -10.857 -7.414 -5.058 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.771 -6.124 -5.496 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.852 -8.050 -5.868 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.653 -5.919 -6.530 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.327 -7.085 -6.778 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.386 -9.340 -5.914 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.310 -7.372 -7.721 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.362 -9.624 -6.851 1.00 0.00 C ATOM 894 CH2 TRP A 60 -13.816 -8.644 -7.744 1.00 0.00 C ATOM 0 H TRP A 60 -7.866 -7.282 -4.747 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.763 -6.095 -3.090 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.418 -8.810 -4.364 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.754 -8.540 -3.263 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.108 -5.375 -5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.784 -5.041 -7.031 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.043 -10.102 -5.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.661 -6.618 -8.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -13.782 -10.618 -6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.580 -8.897 -8.464 1.00 0.00 H new ATOM 905 N ASP A 61 -8.002 -8.467 -1.631 1.00 0.00 N ATOM 906 CA ASP A 61 -7.658 -9.045 -0.337 1.00 0.00 C ATOM 907 C ASP A 61 -7.464 -7.953 0.711 1.00 0.00 C ATOM 908 O ASP A 61 -8.208 -7.880 1.689 1.00 0.00 O ATOM 909 CB ASP A 61 -6.388 -9.889 -0.452 1.00 0.00 C ATOM 910 CG ASP A 61 -6.368 -11.043 0.531 1.00 0.00 C ATOM 911 OD1 ASP A 61 -6.523 -10.790 1.744 1.00 0.00 O ATOM 912 OD2 ASP A 61 -6.197 -12.198 0.088 1.00 0.00 O ATOM 0 H ASP A 61 -7.445 -8.817 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.482 -9.685 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.305 -10.279 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.518 -9.255 -0.282 1.00 0.00 H new ATOM 917 N GLU A 62 -6.460 -7.108 0.500 1.00 0.00 N ATOM 918 CA GLU A 62 -6.168 -6.022 1.428 1.00 0.00 C ATOM 919 C GLU A 62 -7.306 -5.005 1.451 1.00 0.00 C ATOM 920 O GLU A 62 -7.734 -4.561 2.515 1.00 0.00 O ATOM 921 CB GLU A 62 -4.859 -5.330 1.042 1.00 0.00 C ATOM 922 CG GLU A 62 -3.628 -6.196 1.252 1.00 0.00 C ATOM 923 CD GLU A 62 -3.198 -6.256 2.705 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.587 -5.278 3.184 1.00 0.00 O ATOM 925 OE2 GLU A 62 -3.473 -7.281 3.363 1.00 0.00 O ATOM 0 H GLU A 62 -5.835 -7.155 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.065 -6.449 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.910 -5.033 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.754 -4.416 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.833 -7.205 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.807 -5.806 0.650 1.00 0.00 H new ATOM 932 N GLY A 63 -7.791 -4.641 0.267 1.00 0.00 N ATOM 933 CA GLY A 63 -8.873 -3.680 0.173 1.00 0.00 C ATOM 934 C GLY A 63 -10.044 -4.035 1.068 1.00 0.00 C ATOM 935 O GLY A 63 -10.398 -3.276 1.970 1.00 0.00 O ATOM 0 H GLY A 63 -7.453 -4.995 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.501 -2.691 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.214 -3.622 -0.861 1.00 0.00 H new ATOM 939 N VAL A 64 -10.648 -5.193 0.818 1.00 0.00 N ATOM 940 CA VAL A 64 -11.786 -5.647 1.608 1.00 0.00 C ATOM 941 C VAL A 64 -11.380 -5.919 3.052 1.00 0.00 C ATOM 942 O VAL A 64 -12.168 -5.723 3.977 1.00 0.00 O ATOM 943 CB VAL A 64 -12.408 -6.924 1.013 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.471 -8.109 1.191 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.761 -7.204 1.649 1.00 0.00 C ATOM 0 H VAL A 64 -10.368 -5.833 0.075 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.525 -4.846 1.586 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.559 -6.769 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.928 -9.002 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.528 -7.906 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.285 -8.269 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.186 -8.110 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.637 -7.338 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.431 -6.365 1.463 1.00 0.00 H new ATOM 955 N ALA A 65 -10.144 -6.370 3.238 1.00 0.00 N ATOM 956 CA ALA A 65 -9.631 -6.666 4.570 1.00 0.00 C ATOM 957 C ALA A 65 -9.711 -5.440 5.474 1.00 0.00 C ATOM 958 O ALA A 65 -10.002 -5.554 6.664 1.00 0.00 O ATOM 959 CB ALA A 65 -8.197 -7.169 4.484 1.00 0.00 C ATOM 0 H ALA A 65 -9.479 -6.538 2.483 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.253 -7.448 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.827 -7.386 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.165 -8.076 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.571 -6.405 4.023 1.00 0.00 H new ATOM 965 N GLN A 66 -9.449 -4.270 4.901 1.00 0.00 N ATOM 966 CA GLN A 66 -9.490 -3.024 5.656 1.00 0.00 C ATOM 967 C GLN A 66 -10.805 -2.288 5.422 1.00 0.00 C ATOM 968 O GLN A 66 -10.868 -1.063 5.521 1.00 0.00 O ATOM 969 CB GLN A 66 -8.314 -2.127 5.266 1.00 0.00 C ATOM 970 CG GLN A 66 -8.335 -1.697 3.808 1.00 0.00 C ATOM 971 CD GLN A 66 -6.993 -1.172 3.335 1.00 0.00 C ATOM 972 OE1 GLN A 66 -6.426 -0.257 3.933 1.00 0.00 O ATOM 973 NE2 GLN A 66 -6.478 -1.750 2.256 1.00 0.00 N ATOM 0 H GLN A 66 -9.206 -4.159 3.917 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.415 -3.269 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.320 -1.239 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.382 -2.656 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.629 -2.544 3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.092 -0.924 3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.983 -2.505 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.578 -1.439 1.891 1.00 0.00 H new ATOM 982 N MET A 67 -11.853 -3.044 5.111 1.00 0.00 N ATOM 983 CA MET A 67 -13.168 -2.463 4.864 1.00 0.00 C ATOM 984 C MET A 67 -14.150 -2.853 5.963 1.00 0.00 C ATOM 985 O MET A 67 -13.945 -3.840 6.670 1.00 0.00 O ATOM 986 CB MET A 67 -13.701 -2.915 3.503 1.00 0.00 C ATOM 987 CG MET A 67 -13.079 -2.175 2.330 1.00 0.00 C ATOM 988 SD MET A 67 -14.030 -0.722 1.842 1.00 0.00 S ATOM 989 CE MET A 67 -15.571 -1.481 1.335 1.00 0.00 C ATOM 0 H MET A 67 -11.817 -4.060 5.024 1.00 0.00 H new ATOM 0 HA MET A 67 -13.064 -1.378 4.863 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.517 -3.983 3.387 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.781 -2.773 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.066 -1.870 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.997 -2.853 1.480 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.175 -0.752 0.795 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.362 -2.331 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 67 -16.115 -1.822 2.215 1.00 0.00 H new ATOM 999 N SER A 68 -15.217 -2.073 6.101 1.00 0.00 N ATOM 1000 CA SER A 68 -16.230 -2.335 7.118 1.00 0.00 C ATOM 1001 C SER A 68 -17.598 -2.553 6.479 1.00 0.00 C ATOM 1002 O SER A 68 -17.920 -1.951 5.454 1.00 0.00 O ATOM 1003 CB SER A 68 -16.297 -1.174 8.112 1.00 0.00 C ATOM 1004 OG SER A 68 -16.305 0.073 7.439 1.00 0.00 O ATOM 0 H SER A 68 -15.403 -1.254 5.522 1.00 0.00 H new ATOM 0 HA SER A 68 -15.949 -3.244 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.194 -1.266 8.724 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.444 -1.220 8.788 1.00 0.00 H new ATOM 0 HG SER A 68 -15.418 0.246 7.059 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.399 -3.418 7.091 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.733 -3.716 6.584 1.00 0.00 C ATOM 1012 C VAL A 69 -20.542 -2.440 6.382 1.00 0.00 C ATOM 1013 O VAL A 69 -20.632 -1.601 7.277 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.501 -4.651 7.538 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.905 -4.912 7.015 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.742 -5.956 7.729 1.00 0.00 C ATOM 0 H VAL A 69 -18.147 -3.925 7.939 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.602 -4.216 5.624 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.587 -4.162 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.432 -5.574 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.445 -3.968 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.846 -5.381 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.298 -6.605 8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.624 -6.452 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.760 -5.747 8.153 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.130 -2.299 5.197 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.924 -1.122 4.898 1.00 0.00 C ATOM 1028 C GLY A 70 -21.070 0.076 4.534 1.00 0.00 C ATOM 1029 O GLY A 70 -21.572 1.195 4.433 1.00 0.00 O ATOM 0 H GLY A 70 -21.070 -2.979 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.602 -1.345 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.542 -0.875 5.762 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.777 -0.159 4.336 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.852 0.912 3.983 1.00 0.00 C ATOM 1035 C GLN A 71 -18.440 0.814 2.518 1.00 0.00 C ATOM 1036 O GLN A 71 -18.169 -0.274 2.011 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.613 0.859 4.878 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.877 2.186 4.978 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.371 2.025 4.909 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.714 1.789 5.923 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.816 2.152 3.709 1.00 0.00 N ATOM 0 H GLN A 71 -19.346 -1.080 4.414 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.361 1.864 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.910 0.542 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.929 0.102 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.206 2.841 4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.144 2.675 5.915 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.399 2.348 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.807 2.054 3.601 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.397 1.958 1.843 1.00 0.00 N ATOM 1051 CA ARG A 72 -18.020 2.001 0.436 1.00 0.00 C ATOM 1052 C ARG A 72 -16.787 2.876 0.229 1.00 0.00 C ATOM 1053 O ARG A 72 -16.706 3.985 0.757 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.181 2.529 -0.409 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.809 2.792 -1.859 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.043 3.010 -2.721 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.790 4.198 -2.316 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.455 5.433 -2.672 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.392 5.641 -3.436 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.185 6.463 -2.264 1.00 0.00 N ATOM 0 H ARG A 72 -18.619 2.867 2.248 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.781 0.986 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.999 1.809 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.552 3.453 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.164 3.669 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.237 1.949 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.744 3.108 -3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.690 2.135 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.614 4.072 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.829 4.852 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.137 6.591 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.004 6.307 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.927 7.411 -2.538 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.831 2.370 -0.541 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.603 3.105 -0.819 1.00 0.00 C ATOM 1076 C ALA A 73 -13.975 2.651 -2.132 1.00 0.00 C ATOM 1077 O ALA A 73 -14.328 1.601 -2.670 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.616 2.936 0.327 1.00 0.00 C ATOM 0 H ALA A 73 -15.883 1.453 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.855 4.161 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.704 3.490 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.058 3.317 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.378 1.879 0.449 1.00 0.00 H new ATOM 1084 N LYS A 74 -13.043 3.448 -2.644 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.365 3.128 -3.894 1.00 0.00 C ATOM 1086 C LYS A 74 -11.060 2.383 -3.630 1.00 0.00 C ATOM 1087 O LYS A 74 -10.297 2.746 -2.734 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.084 4.406 -4.687 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.794 5.100 -4.284 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.774 6.549 -4.741 1.00 0.00 C ATOM 1091 CE LYS A 74 -10.833 6.656 -6.257 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.234 6.735 -6.754 1.00 0.00 N ATOM 0 H LYS A 74 -12.740 4.321 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.020 2.482 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.040 4.163 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.916 5.097 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.680 5.058 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.945 4.570 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.619 7.081 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.869 7.034 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.283 7.540 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.338 5.792 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.546 5.793 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.855 7.070 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.282 7.397 -7.554 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.810 1.342 -4.416 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.595 0.547 -4.268 1.00 0.00 C ATOM 1108 C LEU A 75 -8.678 0.724 -5.474 1.00 0.00 C ATOM 1109 O LEU A 75 -8.845 0.060 -6.497 1.00 0.00 O ATOM 1110 CB LEU A 75 -9.948 -0.932 -4.095 1.00 0.00 C ATOM 1111 CG LEU A 75 -8.845 -1.823 -3.524 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.541 -1.440 -2.083 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.242 -3.289 -3.616 1.00 0.00 C ATOM 0 H LEU A 75 -11.431 1.028 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.068 0.896 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.819 -1.003 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.243 -1.330 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.942 -1.674 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.753 -2.085 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.212 -0.402 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.440 -1.559 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.445 -3.908 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.158 -3.454 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.408 -3.556 -4.660 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.708 1.623 -5.345 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.761 1.886 -6.423 1.00 0.00 C ATOM 1127 C VAL A 76 -5.446 1.150 -6.191 1.00 0.00 C ATOM 1128 O VAL A 76 -4.615 1.581 -5.391 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.476 3.393 -6.564 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.105 3.995 -5.218 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.374 3.632 -7.586 1.00 0.00 C ATOM 0 H VAL A 76 -7.557 2.182 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.219 1.523 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.382 3.885 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.907 5.060 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.928 3.855 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.213 3.502 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.185 4.702 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.463 3.128 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.684 3.238 -8.554 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.264 0.039 -6.896 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.049 -0.758 -6.767 1.00 0.00 C ATOM 1143 C CYS A 77 -3.409 -0.998 -8.130 1.00 0.00 C ATOM 1144 O CYS A 77 -4.048 -0.819 -9.167 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.361 -2.095 -6.094 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.615 -3.077 -6.948 1.00 0.00 S ATOM 0 H CYS A 77 -5.942 -0.330 -7.563 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.344 -0.203 -6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.443 -2.678 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.695 -1.907 -5.074 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.270 -4.330 -6.932 1.00 0.00 H new ATOM 1152 N SER A 78 -2.143 -1.402 -8.121 1.00 0.00 N ATOM 1153 CA SER A 78 -1.414 -1.662 -9.357 1.00 0.00 C ATOM 1154 C SER A 78 -1.805 -3.014 -9.944 1.00 0.00 C ATOM 1155 O SER A 78 -2.436 -3.845 -9.290 1.00 0.00 O ATOM 1156 CB SER A 78 0.094 -1.620 -9.102 1.00 0.00 C ATOM 1157 OG SER A 78 0.692 -0.518 -9.763 1.00 0.00 O ATOM 0 H SER A 78 -1.600 -1.556 -7.271 1.00 0.00 H new ATOM 0 HA SER A 78 -1.676 -0.885 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.283 -1.552 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.551 -2.547 -9.448 1.00 0.00 H new ATOM 0 HG SER A 78 1.655 -0.512 -9.583 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.422 -3.242 -11.209 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.720 -4.492 -11.914 1.00 0.00 C ATOM 1165 C PRO A 79 -0.931 -5.673 -11.359 1.00 0.00 C ATOM 1166 O PRO A 79 -1.349 -6.825 -11.483 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.297 -4.197 -13.355 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.266 -3.128 -13.236 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.667 -2.297 -12.049 1.00 0.00 C ATOM 0 HA PRO A 79 -2.767 -4.777 -11.813 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.892 -5.086 -13.838 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.144 -3.865 -13.956 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.726 -3.557 -13.095 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.226 -2.522 -14.141 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.202 -1.900 -11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.279 -1.444 -12.344 1.00 0.00 H new ATOM 1177 N ASP A 80 0.211 -5.380 -10.746 1.00 0.00 N ATOM 1178 CA ASP A 80 1.058 -6.419 -10.170 1.00 0.00 C ATOM 1179 C ASP A 80 0.322 -7.168 -9.063 1.00 0.00 C ATOM 1180 O ASP A 80 0.586 -8.345 -8.815 1.00 0.00 O ATOM 1181 CB ASP A 80 2.347 -5.807 -9.620 1.00 0.00 C ATOM 1182 CG ASP A 80 3.329 -5.443 -10.716 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.136 -4.390 -11.360 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.291 -6.209 -10.930 1.00 0.00 O ATOM 0 H ASP A 80 0.571 -4.432 -10.635 1.00 0.00 H new ATOM 0 HA ASP A 80 1.309 -7.129 -10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.105 -4.915 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.817 -6.512 -8.935 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.599 -6.478 -8.401 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.370 -7.076 -7.318 1.00 0.00 C ATOM 1191 C TYR A 81 -2.793 -7.389 -7.770 1.00 0.00 C ATOM 1192 O TYR A 81 -3.675 -7.645 -6.951 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.402 -6.141 -6.108 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.267 -6.371 -5.135 1.00 0.00 C ATOM 1195 CD1 TYR A 81 1.008 -6.688 -5.586 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.471 -6.270 -3.764 1.00 0.00 C ATOM 1197 CE1 TYR A 81 2.046 -6.900 -4.700 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.562 -6.479 -2.871 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.819 -6.794 -3.344 1.00 0.00 C ATOM 1200 OH TYR A 81 2.851 -7.002 -2.458 1.00 0.00 O ATOM 0 H TYR A 81 -0.830 -5.504 -8.595 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.884 -8.010 -7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.368 -5.109 -6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.350 -6.270 -5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.191 -6.770 -6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.454 -6.024 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.031 -7.148 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.387 -6.396 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 81 2.523 -6.888 -1.541 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.008 -7.367 -9.081 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.323 -7.650 -9.645 1.00 0.00 C ATOM 1212 C ALA A 82 -4.203 -8.290 -11.024 1.00 0.00 C ATOM 1213 O ALA A 82 -3.124 -8.729 -11.423 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.149 -6.375 -9.723 1.00 0.00 C ATOM 0 H ALA A 82 -2.289 -7.156 -9.773 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.828 -8.358 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.128 -6.601 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.273 -5.960 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.639 -5.649 -10.356 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.316 -8.340 -11.746 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.336 -8.930 -13.080 1.00 0.00 C ATOM 1222 C TYR A 83 -5.086 -7.870 -14.148 1.00 0.00 C ATOM 1223 O TYR A 83 -5.353 -8.087 -15.329 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.676 -9.621 -13.334 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.870 -8.818 -12.869 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.128 -7.556 -13.387 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.740 -9.323 -11.910 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.217 -6.819 -12.964 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.832 -8.594 -11.482 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.066 -7.342 -12.011 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.153 -6.612 -11.588 1.00 0.00 O ATOM 0 H TYR A 83 -6.217 -7.979 -11.431 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.537 -9.670 -13.135 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.776 -9.820 -14.401 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.679 -10.586 -12.828 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.466 -7.143 -14.134 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.559 -10.302 -11.492 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.403 -5.839 -13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.499 -9.002 -10.737 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.009 -5.664 -11.789 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.571 -6.720 -13.723 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.293 -5.642 -14.654 1.00 0.00 C ATOM 1243 C GLY A 84 -3.172 -5.982 -15.616 1.00 0.00 C ATOM 1244 O GLY A 84 -3.083 -5.410 -16.703 1.00 0.00 O ATOM 0 H GLY A 84 -4.341 -6.516 -12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.196 -5.413 -15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.029 -4.743 -14.096 1.00 0.00 H new ATOM 1248 N SER A 85 -2.313 -6.914 -15.216 1.00 0.00 N ATOM 1249 CA SER A 85 -1.189 -7.325 -16.049 1.00 0.00 C ATOM 1250 C SER A 85 -1.658 -7.683 -17.456 1.00 0.00 C ATOM 1251 O SER A 85 -1.402 -6.952 -18.412 1.00 0.00 O ATOM 1252 CB SER A 85 -0.470 -8.520 -15.419 1.00 0.00 C ATOM 1253 OG SER A 85 0.446 -8.097 -14.424 1.00 0.00 O ATOM 0 H SER A 85 -2.374 -7.399 -14.321 1.00 0.00 H new ATOM 0 HA SER A 85 -0.495 -6.488 -16.118 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.201 -9.198 -14.980 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.059 -9.079 -16.191 1.00 0.00 H new ATOM 0 HG SER A 85 0.891 -8.879 -14.036 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.345 -8.815 -17.574 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.849 -9.272 -18.863 1.00 0.00 C ATOM 1261 C ARG A 86 -3.925 -8.328 -19.392 1.00 0.00 C ATOM 1262 O ARG A 86 -3.904 -7.937 -20.558 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.413 -10.689 -18.741 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.424 -10.847 -17.618 1.00 0.00 C ATOM 1265 CD ARG A 86 -5.848 -10.875 -18.150 1.00 0.00 C ATOM 1266 NE ARG A 86 -6.681 -11.838 -17.435 1.00 0.00 N ATOM 1267 CZ ARG A 86 -6.639 -13.148 -17.650 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -5.809 -13.648 -18.555 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -7.428 -13.961 -16.960 1.00 0.00 N ATOM 0 H ARG A 86 -2.565 -9.432 -16.792 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.018 -9.279 -19.568 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.884 -10.966 -19.684 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.591 -11.386 -18.579 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.221 -11.768 -17.071 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.315 -10.025 -16.910 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.287 -9.881 -18.063 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.834 -11.125 -19.211 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.331 -11.485 -16.732 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.201 -13.026 -19.088 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.779 -14.654 -18.718 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.068 -13.580 -16.263 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.395 -14.967 -17.126 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.866 -7.967 -18.525 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.938 -7.073 -18.923 1.00 0.00 C ATOM 1285 C GLY A 87 -6.716 -7.596 -20.114 1.00 0.00 C ATOM 1286 O GLY A 87 -6.558 -8.751 -20.510 1.00 0.00 O ATOM 0 H GLY A 87 -4.905 -8.278 -17.554 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.618 -6.929 -18.083 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.521 -6.096 -19.166 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.560 -6.744 -20.688 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.367 -7.126 -21.841 1.00 0.00 C ATOM 1292 C HIS A 88 -8.655 -5.918 -22.727 1.00 0.00 C ATOM 1293 O HIS A 88 -8.627 -4.770 -22.283 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.680 -7.762 -21.383 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.624 -9.256 -21.298 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -9.099 -10.048 -22.297 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -10.031 -10.103 -20.324 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -9.186 -11.317 -21.942 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.747 -11.378 -20.748 1.00 0.00 N ATOM 0 H HIS A 88 -7.703 -5.784 -20.373 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.803 -7.855 -22.423 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.947 -7.360 -20.406 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.473 -7.475 -22.073 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.493 -9.827 -19.388 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.855 -12.161 -22.528 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.938 -12.233 -20.226 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.937 -6.180 -24.012 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.235 -5.127 -24.988 1.00 0.00 C ATOM 1309 C PRO A 89 -10.580 -4.459 -24.727 1.00 0.00 C ATOM 1310 O PRO A 89 -11.628 -5.097 -24.810 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.260 -5.877 -26.322 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.604 -7.281 -25.961 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.988 -7.524 -24.611 1.00 0.00 C ATOM 0 HA PRO A 89 -8.505 -4.319 -24.952 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.998 -5.451 -27.002 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.294 -5.823 -26.825 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.684 -7.422 -25.928 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.214 -7.981 -26.700 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.589 -8.208 -24.012 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.994 -7.964 -24.696 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.543 -3.168 -24.411 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.766 -2.434 -24.143 1.00 0.00 C ATOM 1323 C GLY A 90 -12.300 -2.687 -22.747 1.00 0.00 C ATOM 1324 O GLY A 90 -13.412 -2.276 -22.416 1.00 0.00 O ATOM 0 H GLY A 90 -9.688 -2.617 -24.336 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.581 -1.367 -24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.523 -2.716 -24.875 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.506 -3.367 -21.926 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.905 -3.676 -20.558 1.00 0.00 C ATOM 1330 C VAL A 91 -10.820 -3.275 -19.565 1.00 0.00 C ATOM 1331 O VAL A 91 -11.053 -2.463 -18.669 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.213 -5.175 -20.387 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.784 -5.450 -19.004 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.170 -5.648 -21.471 1.00 0.00 C ATOM 0 H VAL A 91 -10.583 -3.714 -22.185 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.809 -3.102 -20.356 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.282 -5.733 -20.486 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.995 -6.515 -18.903 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.061 -5.150 -18.246 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.706 -4.883 -18.872 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.377 -6.710 -21.336 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.101 -5.085 -21.405 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.718 -5.489 -22.450 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.633 -3.849 -19.730 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.511 -3.551 -18.849 1.00 0.00 C ATOM 1346 C ILE A 92 -7.245 -3.265 -19.650 1.00 0.00 C ATOM 1347 O ILE A 92 -6.901 -3.979 -20.591 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.237 -4.711 -17.874 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.469 -4.978 -17.006 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -7.028 -4.398 -17.005 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.312 -6.167 -16.084 1.00 0.00 C ATOM 0 H ILE A 92 -9.424 -4.523 -20.466 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.785 -2.664 -18.277 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.021 -5.609 -18.452 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.682 -4.091 -16.409 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.331 -5.141 -17.653 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.847 -5.227 -16.321 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.153 -4.252 -17.638 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.217 -3.490 -16.432 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.223 -6.297 -15.499 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.129 -7.064 -16.675 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.471 -5.998 -15.412 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.532 -2.195 -19.267 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.291 -1.790 -19.934 1.00 0.00 C ATOM 1365 C PRO A 93 -4.149 -2.767 -19.674 1.00 0.00 C ATOM 1366 O PRO A 93 -4.166 -3.540 -18.716 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.981 -0.427 -19.310 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.647 -0.460 -17.978 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.883 -1.298 -18.153 1.00 0.00 C ATOM 0 HA PRO A 93 -5.401 -1.762 -21.018 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.907 -0.272 -19.212 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.366 0.387 -19.925 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.988 -0.889 -17.223 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.902 0.546 -17.644 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.122 -1.856 -17.248 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.753 -0.686 -18.389 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.130 -2.732 -20.546 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.960 -3.607 -20.431 1.00 0.00 C ATOM 1379 C PRO A 94 -1.080 -3.245 -19.239 1.00 0.00 C ATOM 1380 O PRO A 94 -0.313 -2.285 -19.292 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.208 -3.369 -21.743 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.621 -2.003 -22.173 1.00 0.00 C ATOM 1383 CD PRO A 94 -3.042 -1.836 -21.711 1.00 0.00 C ATOM 0 HA PRO A 94 -2.244 -4.647 -20.269 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.129 -3.429 -21.598 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.471 -4.116 -22.492 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.975 -1.243 -21.732 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.547 -1.895 -23.255 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.258 -0.802 -21.440 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.753 -2.117 -22.488 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.197 -4.021 -18.166 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.412 -3.781 -16.961 1.00 0.00 C ATOM 1393 C ASN A 95 -0.476 -2.312 -16.553 1.00 0.00 C ATOM 1394 O ASN A 95 0.542 -1.621 -16.522 1.00 0.00 O ATOM 1395 CB ASN A 95 1.043 -4.197 -17.184 1.00 0.00 C ATOM 1396 CG ASN A 95 1.165 -5.421 -18.071 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.257 -6.548 -17.585 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.167 -5.204 -19.382 1.00 0.00 N ATOM 0 H ASN A 95 -1.827 -4.821 -18.107 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.835 -4.382 -16.156 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.590 -3.369 -17.635 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.511 -4.401 -16.221 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.247 -5.989 -20.029 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.089 -4.253 -19.742 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.679 -1.842 -16.241 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.875 -0.456 -15.833 1.00 0.00 C ATOM 1407 C ALA A 96 -2.670 -0.374 -14.534 1.00 0.00 C ATOM 1408 O ALA A 96 -3.490 -1.244 -14.239 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.578 0.324 -16.934 1.00 0.00 C ATOM 0 H ALA A 96 -2.532 -2.400 -16.263 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.895 -0.012 -15.658 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.718 1.357 -16.616 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.972 0.302 -17.839 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.549 -0.128 -17.137 1.00 0.00 H new ATOM 1415 N THR A 97 -2.421 0.677 -13.759 1.00 0.00 N ATOM 1416 CA THR A 97 -3.111 0.871 -12.490 1.00 0.00 C ATOM 1417 C THR A 97 -4.624 0.848 -12.678 1.00 0.00 C ATOM 1418 O THR A 97 -5.145 1.367 -13.666 1.00 0.00 O ATOM 1419 CB THR A 97 -2.708 2.203 -11.829 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.283 2.343 -11.840 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.218 2.273 -10.398 1.00 0.00 C ATOM 0 H THR A 97 -1.746 1.407 -13.988 1.00 0.00 H new ATOM 0 HA THR A 97 -2.815 0.047 -11.840 1.00 0.00 H new ATOM 0 HB THR A 97 -3.158 3.017 -12.398 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.035 3.193 -11.420 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.921 3.222 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.305 2.195 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.794 1.452 -9.820 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.324 0.244 -11.725 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.779 0.155 -11.785 1.00 0.00 C ATOM 1431 C LEU A 98 -7.405 0.545 -10.449 1.00 0.00 C ATOM 1432 O LEU A 98 -6.820 0.322 -9.389 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.207 -1.264 -12.166 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.442 -1.907 -13.324 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.858 -3.359 -13.497 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.669 -1.128 -14.611 1.00 0.00 C ATOM 0 H LEU A 98 -4.908 -0.191 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.130 0.852 -12.547 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.102 -1.902 -11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.266 -1.246 -12.422 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.378 -1.881 -13.090 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.304 -3.800 -14.325 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.643 -3.911 -12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.926 -3.409 -13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.117 -1.600 -15.424 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.732 -1.122 -14.850 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.320 -0.103 -14.482 1.00 0.00 H new ATOM 1448 N THR A 99 -8.599 1.126 -10.508 1.00 0.00 N ATOM 1449 CA THR A 99 -9.305 1.546 -9.304 1.00 0.00 C ATOM 1450 C THR A 99 -10.720 0.981 -9.271 1.00 0.00 C ATOM 1451 O THR A 99 -11.617 1.486 -9.946 1.00 0.00 O ATOM 1452 CB THR A 99 -9.375 3.081 -9.201 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.053 3.633 -9.203 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.105 3.506 -7.936 1.00 0.00 C ATOM 0 H THR A 99 -9.098 1.316 -11.377 1.00 0.00 H new ATOM 0 HA THR A 99 -8.742 1.157 -8.456 1.00 0.00 H new ATOM 0 HB THR A 99 -9.927 3.456 -10.063 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.106 4.609 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.142 4.594 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.120 3.109 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.577 3.120 -7.064 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.914 -0.070 -8.481 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.222 -0.704 -8.360 1.00 0.00 C ATOM 1464 C PHE A 100 -12.896 -0.314 -7.048 1.00 0.00 C ATOM 1465 O PHE A 100 -12.333 -0.499 -5.969 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.084 -2.226 -8.443 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.516 -2.706 -9.749 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.146 -2.790 -9.935 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.354 -3.072 -10.790 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.621 -3.232 -11.134 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.835 -3.515 -11.992 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.466 -3.594 -12.165 1.00 0.00 C ATOM 0 H PHE A 100 -10.183 -0.501 -7.915 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.844 -0.357 -9.185 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.445 -2.570 -7.630 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.063 -2.680 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.480 -2.507 -9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.424 -3.010 -10.661 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.551 -3.294 -11.265 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.499 -3.799 -12.795 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.058 -3.938 -13.104 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.105 0.227 -7.149 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.858 0.643 -5.972 1.00 0.00 C ATOM 1484 C ASP A 101 -15.438 -0.565 -5.243 1.00 0.00 C ATOM 1485 O ASP A 101 -16.273 -1.289 -5.786 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.981 1.602 -6.370 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.822 2.972 -5.742 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.685 3.487 -5.721 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.835 3.529 -5.269 1.00 0.00 O ATOM 0 H ASP A 101 -14.585 0.388 -8.035 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.174 1.158 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.001 1.703 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.940 1.178 -6.072 1.00 0.00 H new ATOM 1494 N VAL A 102 -14.989 -0.778 -4.010 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.464 -1.898 -3.206 1.00 0.00 C ATOM 1496 C VAL A 102 -16.401 -1.424 -2.101 1.00 0.00 C ATOM 1497 O VAL A 102 -16.088 -0.485 -1.370 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.291 -2.672 -2.574 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.808 -3.800 -1.695 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.363 -3.208 -3.653 1.00 0.00 C ATOM 0 H VAL A 102 -14.297 -0.190 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.008 -2.562 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.722 -1.986 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.966 -4.335 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.428 -3.386 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.402 -4.488 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.540 -3.752 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.917 -3.879 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.965 -2.378 -4.236 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.551 -2.081 -1.985 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.533 -1.725 -0.968 1.00 0.00 C ATOM 1512 C GLU A 103 -18.954 -2.953 -0.166 1.00 0.00 C ATOM 1513 O GLU A 103 -19.599 -3.862 -0.692 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.760 -1.081 -1.616 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.894 -0.814 -0.641 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.048 -0.064 -1.278 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.166 -0.100 -2.521 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.833 0.560 -0.533 1.00 0.00 O ATOM 0 H GLU A 103 -17.825 -2.861 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.072 -1.008 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.463 -0.141 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.123 -1.731 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.257 -1.762 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.514 -0.239 0.203 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.585 -2.973 1.110 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.924 -4.089 1.987 1.00 0.00 C ATOM 1527 C LEU A 104 -20.433 -4.190 2.182 1.00 0.00 C ATOM 1528 O LEU A 104 -21.100 -3.197 2.475 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.232 -3.927 3.342 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.838 -5.221 4.053 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -19.005 -6.196 4.076 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.627 -5.852 3.381 1.00 0.00 C ATOM 0 H LEU A 104 -18.051 -2.230 1.561 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.576 -5.008 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.334 -3.326 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.892 -3.361 3.999 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.573 -4.980 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.705 -7.111 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.845 -5.745 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.303 -6.431 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.361 -6.772 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.864 -6.078 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.787 -5.158 3.419 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.966 -5.396 2.020 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.397 -5.628 2.181 1.00 0.00 C ATOM 1546 C LEU A 105 -22.673 -6.507 3.396 1.00 0.00 C ATOM 1547 O LEU A 105 -23.676 -6.330 4.088 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.972 -6.283 0.923 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.550 -5.331 -0.124 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.672 -4.496 0.474 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.459 -4.433 -0.690 1.00 0.00 C ATOM 0 H LEU A 105 -20.429 -6.228 1.777 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.881 -4.664 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.186 -6.874 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.755 -6.978 1.225 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.962 -5.926 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.071 -3.825 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.465 -5.154 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.285 -3.911 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -22.889 -3.762 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.017 -3.846 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.689 -5.047 -1.157 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.776 -7.453 3.652 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.922 -8.359 4.785 1.00 0.00 C ATOM 1565 C ARG A 106 -20.639 -9.153 5.016 1.00 0.00 C ATOM 1566 O ARG A 106 -19.816 -9.299 4.112 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.092 -9.316 4.552 1.00 0.00 C ATOM 1568 CG ARG A 106 -22.980 -10.113 3.263 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.196 -11.001 3.049 1.00 0.00 C ATOM 1570 NE ARG A 106 -24.022 -12.320 3.651 1.00 0.00 N ATOM 1571 CZ ARG A 106 -24.949 -13.272 3.615 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -26.107 -13.052 3.009 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -24.716 -14.447 4.185 1.00 0.00 N ATOM 0 H ARG A 106 -20.940 -7.612 3.090 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.123 -7.760 5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.158 -10.007 5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.020 -8.745 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -22.874 -9.430 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.080 -10.727 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -25.076 -10.520 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.381 -11.112 1.980 1.00 0.00 H new ATOM 0 HE ARG A 106 -23.142 -12.522 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.289 -12.150 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -26.816 -13.785 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -23.825 -14.620 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -25.428 -15.177 4.157 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.476 -9.664 6.232 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.295 -10.444 6.582 1.00 0.00 C ATOM 1589 C VAL A 107 -19.683 -11.782 7.201 1.00 0.00 C ATOM 1590 O VAL A 107 -20.677 -11.878 7.920 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.388 -9.679 7.564 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.161 -9.300 8.818 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.162 -10.509 7.913 1.00 0.00 C ATOM 0 H VAL A 107 -21.147 -9.552 6.992 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.747 -10.621 5.657 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.051 -8.761 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.505 -8.760 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -20.005 -8.665 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.528 -10.203 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.532 -9.953 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.476 -11.444 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.598 -10.725 7.005 1.00 0.00 H new ATOM 1603 N GLU A 108 -18.891 -12.811 6.917 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.153 -14.144 7.447 1.00 0.00 C ATOM 1605 C GLU A 108 -17.850 -14.851 7.811 1.00 0.00 C ATOM 1606 O GLU A 108 -17.056 -15.197 6.937 1.00 0.00 O ATOM 1607 CB GLU A 108 -19.931 -14.979 6.428 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.413 -14.648 6.375 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.257 -15.619 7.178 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.293 -15.487 8.419 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -22.881 -16.511 6.565 1.00 0.00 O ATOM 0 H GLU A 108 -18.064 -12.747 6.324 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.753 -14.036 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.498 -14.827 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -19.812 -16.035 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.570 -13.638 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.746 -14.655 5.337 1.00 0.00 H new TER 1618 GLU A 108