USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 50 GLN : amide:sc= 0.355! C(o=1.3!,f=-6.5!) USER MOD Set 1.2: A 52 LYS NZ :NH3+ 165:sc= 0.962 (180deg=0) USER MOD Set 2.1: A 32 CYS SG : rot -150:sc= 0.199 USER MOD Set 2.2: A 35 CYS SG : rot 77:sc= 0.144 USER MOD Set 3.1: A 8 THR OG1 : rot -46:sc= 1.29 USER MOD Set 3.2: A 11 SER OG : rot 101:sc= 2.5 USER MOD Set 4.1: A 6 HIS : no HD1:sc= -0.184 K(o=-0.19,f=-0.78) USER MOD Set 4.2: A 57 LYS NZ :NH3+ 142:sc=-0.00235 (180deg=-0.865) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= -0.145 (180deg=-0.312) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0.762 (180deg=0.695) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 90:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 2.23 K(o=2.2,f=-8.4!) USER MOD Single : A 62 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.044) USER MOD Single : A 63 ASN : amide:sc= 1.29 K(o=1.3,f=-5.2!) USER MOD Single : A 66 THR OG1 : rot -54:sc= 1.34 USER MOD Single : A 69 LYS NZ :NH3+ -123:sc= -0.0046 (180deg=-0.722) USER MOD Single : A 70 TYR OH : rot -127:sc= 0.469 USER MOD Single : A 77 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= -0.0576 (180deg=-0.103) USER MOD Single : A 83 ASN : amide:sc= 0.477 K(o=0.48,f=-2.3!) USER MOD Single : A 89 THR OG1 : rot 38:sc= 1.16 USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= 1.98 (180deg=0.275) USER MOD Single : A 95 SER OG : rot 180:sc= 0.00577 USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0.572 (180deg=0.509) USER MOD Single : A 98 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= -0.164 (180deg=-0.193) USER MOD Single : A 106 ASN : amide:sc= 0.501 K(o=0.5,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.458 -2.800 -9.589 1.00 0.00 N ATOM 47 CA ILE A 4 -8.031 -2.912 -9.314 1.00 0.00 C ATOM 48 C ILE A 4 -7.464 -4.144 -10.006 1.00 0.00 C ATOM 49 O ILE A 4 -8.091 -5.204 -10.004 1.00 0.00 O ATOM 50 CB ILE A 4 -7.812 -2.960 -7.794 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.274 -1.621 -7.188 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.360 -3.290 -7.426 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.879 -1.433 -5.725 1.00 0.00 C ATOM 0 HA ILE A 4 -7.503 -2.043 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.408 -3.770 -7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.854 -0.804 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.358 -1.550 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.256 -3.312 -6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.093 -4.264 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.698 -2.529 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.240 -0.467 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.321 -2.228 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.793 -1.470 -5.634 1.00 0.00 H new ATOM 65 N ILE A 5 -6.267 -4.005 -10.580 1.00 0.00 N ATOM 66 CA ILE A 5 -5.580 -5.095 -11.255 1.00 0.00 C ATOM 67 C ILE A 5 -4.745 -5.869 -10.228 1.00 0.00 C ATOM 68 O ILE A 5 -3.720 -5.380 -9.754 1.00 0.00 O ATOM 69 CB ILE A 5 -4.718 -4.545 -12.409 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.478 -3.570 -13.330 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.127 -5.702 -13.226 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.775 -4.126 -13.925 1.00 0.00 C ATOM 0 H ILE A 5 -5.749 -3.126 -10.587 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.302 -5.783 -11.696 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.915 -3.969 -11.950 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.712 -2.667 -12.766 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.818 -3.274 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.520 -5.301 -14.038 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.505 -6.323 -12.581 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.935 -6.305 -13.640 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.239 -3.369 -14.558 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.552 -5.011 -14.521 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.459 -4.394 -13.120 1.00 0.00 H new ATOM 84 N HIS A 6 -5.166 -7.085 -9.875 1.00 0.00 N ATOM 85 CA HIS A 6 -4.410 -7.916 -8.947 1.00 0.00 C ATOM 86 C HIS A 6 -3.260 -8.572 -9.722 1.00 0.00 C ATOM 87 O HIS A 6 -3.512 -9.361 -10.628 1.00 0.00 O ATOM 88 CB HIS A 6 -5.325 -8.942 -8.270 1.00 0.00 C ATOM 89 CG HIS A 6 -6.105 -8.375 -7.105 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.033 -8.834 -5.802 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.976 -7.319 -7.131 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.862 -8.083 -5.060 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.464 -7.177 -5.848 1.00 0.00 N ATOM 0 H HIS A 6 -6.026 -7.512 -10.219 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.990 -7.311 -8.143 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.024 -9.337 -9.007 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.722 -9.780 -7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.231 -6.715 -7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.020 -8.190 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.164 -6.498 -5.548 1.00 0.00 H new ATOM 102 N LEU A 7 -2.009 -8.233 -9.393 1.00 0.00 N ATOM 103 CA LEU A 7 -0.819 -8.718 -10.077 1.00 0.00 C ATOM 104 C LEU A 7 -0.192 -9.915 -9.373 1.00 0.00 C ATOM 105 O LEU A 7 -0.465 -10.184 -8.202 1.00 0.00 O ATOM 106 CB LEU A 7 0.250 -7.617 -10.065 1.00 0.00 C ATOM 107 CG LEU A 7 -0.188 -6.264 -10.628 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.974 -5.288 -10.443 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.516 -6.360 -12.113 1.00 0.00 C ATOM 0 H LEU A 7 -1.797 -7.598 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.130 -9.002 -11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.585 -7.472 -9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.111 -7.966 -10.635 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.084 -5.931 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.694 -4.310 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.210 -5.200 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.848 -5.657 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.824 -5.381 -12.482 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.366 -6.693 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.326 -7.075 -12.261 1.00 0.00 H new ATOM 121 N THR A 8 0.728 -10.568 -10.084 1.00 0.00 N ATOM 122 CA THR A 8 1.581 -11.624 -9.581 1.00 0.00 C ATOM 123 C THR A 8 2.979 -11.342 -10.133 1.00 0.00 C ATOM 124 O THR A 8 3.115 -10.565 -11.077 1.00 0.00 O ATOM 125 CB THR A 8 1.079 -12.996 -10.035 1.00 0.00 C ATOM 126 OG1 THR A 8 1.264 -13.125 -11.435 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.396 -13.227 -9.693 1.00 0.00 C ATOM 0 H THR A 8 0.900 -10.360 -11.068 1.00 0.00 H new ATOM 0 HA THR A 8 1.584 -11.642 -8.491 1.00 0.00 H new ATOM 0 HB THR A 8 1.658 -13.748 -9.499 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.959 -12.308 -11.882 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.699 -14.216 -10.038 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.534 -13.161 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.006 -12.469 -10.184 1.00 0.00 H new ATOM 135 N ASP A 9 4.019 -11.972 -9.583 1.00 0.00 N ATOM 136 CA ASP A 9 5.383 -11.788 -10.054 1.00 0.00 C ATOM 137 C ASP A 9 5.484 -12.187 -11.524 1.00 0.00 C ATOM 138 O ASP A 9 6.051 -11.463 -12.338 1.00 0.00 O ATOM 139 CB ASP A 9 6.345 -12.615 -9.196 1.00 0.00 C ATOM 140 CG ASP A 9 7.794 -12.289 -9.545 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.274 -11.247 -9.045 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.391 -13.082 -10.304 1.00 0.00 O ATOM 0 H ASP A 9 3.934 -12.621 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 9 5.659 -10.737 -9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.165 -12.412 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.158 -13.677 -9.352 1.00 0.00 H new ATOM 147 N ASP A 10 4.899 -13.340 -11.852 1.00 0.00 N ATOM 148 CA ASP A 10 4.871 -13.874 -13.202 1.00 0.00 C ATOM 149 C ASP A 10 4.172 -12.913 -14.164 1.00 0.00 C ATOM 150 O ASP A 10 4.664 -12.668 -15.263 1.00 0.00 O ATOM 151 CB ASP A 10 4.164 -15.232 -13.194 1.00 0.00 C ATOM 152 CG ASP A 10 4.031 -15.796 -14.606 1.00 0.00 C ATOM 153 OD1 ASP A 10 5.026 -16.386 -15.077 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.937 -15.621 -15.185 1.00 0.00 O ATOM 0 H ASP A 10 4.425 -13.934 -11.171 1.00 0.00 H new ATOM 0 HA ASP A 10 5.896 -13.999 -13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.722 -15.931 -12.572 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.175 -15.127 -12.747 1.00 0.00 H new ATOM 159 N SER A 11 3.018 -12.373 -13.761 1.00 0.00 N ATOM 160 CA SER A 11 2.239 -11.513 -14.643 1.00 0.00 C ATOM 161 C SER A 11 2.811 -10.091 -14.708 1.00 0.00 C ATOM 162 O SER A 11 2.586 -9.381 -15.688 1.00 0.00 O ATOM 163 CB SER A 11 0.768 -11.556 -14.214 1.00 0.00 C ATOM 164 OG SER A 11 0.570 -10.924 -12.959 1.00 0.00 O ATOM 0 H SER A 11 2.609 -12.517 -12.838 1.00 0.00 H new ATOM 0 HA SER A 11 2.302 -11.887 -15.665 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.154 -11.066 -14.969 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.436 -12.592 -14.156 1.00 0.00 H new ATOM 0 HG SER A 11 0.213 -10.022 -13.100 1.00 0.00 H new ATOM 170 N PHE A 12 3.541 -9.678 -13.666 1.00 0.00 N ATOM 171 CA PHE A 12 4.165 -8.369 -13.506 1.00 0.00 C ATOM 172 C PHE A 12 4.746 -7.806 -14.801 1.00 0.00 C ATOM 173 O PHE A 12 4.501 -6.651 -15.142 1.00 0.00 O ATOM 174 CB PHE A 12 5.276 -8.454 -12.450 1.00 0.00 C ATOM 175 CG PHE A 12 5.677 -7.108 -11.893 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.578 -6.280 -12.587 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.060 -6.645 -10.719 1.00 0.00 C ATOM 178 CE1 PHE A 12 6.838 -4.983 -12.116 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.392 -5.385 -10.199 1.00 0.00 C ATOM 180 CZ PHE A 12 6.274 -4.551 -10.905 1.00 0.00 C ATOM 0 H PHE A 12 3.720 -10.287 -12.868 1.00 0.00 H new ATOM 0 HA PHE A 12 3.375 -7.687 -13.191 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.942 -9.093 -11.632 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.151 -8.932 -12.891 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.068 -6.641 -13.479 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.329 -7.260 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.471 -4.318 -12.685 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.971 -5.058 -9.260 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.519 -3.574 -10.515 1.00 0.00 H new ATOM 190 N ASP A 13 5.544 -8.605 -15.514 1.00 0.00 N ATOM 191 CA ASP A 13 6.176 -8.157 -16.745 1.00 0.00 C ATOM 192 C ASP A 13 5.135 -7.619 -17.728 1.00 0.00 C ATOM 193 O ASP A 13 5.164 -6.455 -18.120 1.00 0.00 O ATOM 194 CB ASP A 13 6.985 -9.295 -17.370 1.00 0.00 C ATOM 195 CG ASP A 13 7.520 -8.886 -18.740 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.510 -8.124 -18.756 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.909 -9.320 -19.741 1.00 0.00 O ATOM 0 H ASP A 13 5.764 -9.566 -15.254 1.00 0.00 H new ATOM 0 HA ASP A 13 6.859 -7.342 -16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.814 -9.561 -16.715 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.359 -10.182 -17.468 1.00 0.00 H new ATOM 202 N THR A 14 4.209 -8.483 -18.129 1.00 0.00 N ATOM 203 CA THR A 14 3.182 -8.139 -19.089 1.00 0.00 C ATOM 204 C THR A 14 2.265 -7.040 -18.556 1.00 0.00 C ATOM 205 O THR A 14 1.877 -6.136 -19.292 1.00 0.00 O ATOM 206 CB THR A 14 2.401 -9.419 -19.418 1.00 0.00 C ATOM 207 OG1 THR A 14 3.307 -10.503 -19.501 1.00 0.00 O ATOM 208 CG2 THR A 14 1.635 -9.294 -20.737 1.00 0.00 C ATOM 0 H THR A 14 4.155 -9.444 -17.792 1.00 0.00 H new ATOM 0 HA THR A 14 3.636 -7.739 -19.996 1.00 0.00 H new ATOM 0 HB THR A 14 1.673 -9.587 -18.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.816 -11.325 -19.709 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.096 -10.221 -20.934 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.926 -8.469 -20.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.337 -9.104 -21.549 1.00 0.00 H new ATOM 216 N ASP A 15 1.891 -7.138 -17.282 1.00 0.00 N ATOM 217 CA ASP A 15 0.936 -6.225 -16.679 1.00 0.00 C ATOM 218 C ASP A 15 1.479 -4.819 -16.463 1.00 0.00 C ATOM 219 O ASP A 15 0.756 -3.850 -16.671 1.00 0.00 O ATOM 220 CB ASP A 15 0.465 -6.767 -15.326 1.00 0.00 C ATOM 221 CG ASP A 15 -0.244 -8.117 -15.366 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.669 -8.532 -16.466 1.00 0.00 O ATOM 223 OD2 ASP A 15 -0.346 -8.718 -14.272 1.00 0.00 O ATOM 0 H ASP A 15 2.243 -7.852 -16.644 1.00 0.00 H new ATOM 0 HA ASP A 15 0.113 -6.156 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.330 -6.851 -14.668 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.208 -6.037 -14.877 1.00 0.00 H new ATOM 228 N VAL A 16 2.711 -4.711 -15.970 1.00 0.00 N ATOM 229 CA VAL A 16 3.324 -3.449 -15.592 1.00 0.00 C ATOM 230 C VAL A 16 4.401 -3.047 -16.592 1.00 0.00 C ATOM 231 O VAL A 16 4.334 -1.973 -17.188 1.00 0.00 O ATOM 232 CB VAL A 16 3.907 -3.558 -14.167 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.443 -2.205 -13.684 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.858 -4.053 -13.163 1.00 0.00 C ATOM 0 H VAL A 16 3.319 -5.516 -15.821 1.00 0.00 H new ATOM 0 HA VAL A 16 2.561 -2.671 -15.600 1.00 0.00 H new ATOM 0 HB VAL A 16 4.722 -4.280 -14.220 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.847 -2.312 -12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.230 -1.864 -14.357 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.633 -1.475 -13.674 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.305 -4.117 -12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.020 -3.356 -13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.502 -5.038 -13.465 1.00 0.00 H new ATOM 244 N LEU A 17 5.415 -3.893 -16.765 1.00 0.00 N ATOM 245 CA LEU A 17 6.554 -3.536 -17.597 1.00 0.00 C ATOM 246 C LEU A 17 6.169 -3.298 -19.053 1.00 0.00 C ATOM 247 O LEU A 17 6.729 -2.401 -19.682 1.00 0.00 O ATOM 248 CB LEU A 17 7.729 -4.502 -17.405 1.00 0.00 C ATOM 249 CG LEU A 17 8.142 -4.619 -15.923 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.334 -5.567 -15.777 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.523 -3.260 -15.316 1.00 0.00 C ATOM 0 H LEU A 17 5.468 -4.820 -16.343 1.00 0.00 H new ATOM 0 HA LEU A 17 6.916 -2.568 -17.250 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.455 -5.487 -17.784 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.580 -4.159 -17.993 1.00 0.00 H new ATOM 0 HG LEU A 17 7.276 -5.008 -15.387 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.614 -5.640 -14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.061 -6.555 -16.149 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.177 -5.183 -16.352 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.806 -3.394 -14.272 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.362 -2.837 -15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.671 -2.583 -15.377 1.00 0.00 H new ATOM 263 N LYS A 18 5.204 -4.051 -19.590 1.00 0.00 N ATOM 264 CA LYS A 18 4.767 -3.840 -20.966 1.00 0.00 C ATOM 265 C LYS A 18 3.609 -2.835 -21.061 1.00 0.00 C ATOM 266 O LYS A 18 3.060 -2.649 -22.145 1.00 0.00 O ATOM 267 CB LYS A 18 4.427 -5.183 -21.623 1.00 0.00 C ATOM 268 CG LYS A 18 5.667 -6.085 -21.682 1.00 0.00 C ATOM 269 CD LYS A 18 5.413 -7.402 -22.433 1.00 0.00 C ATOM 270 CE LYS A 18 5.776 -7.335 -23.923 1.00 0.00 C ATOM 271 NZ LYS A 18 4.979 -6.339 -24.658 1.00 0.00 N ATOM 0 H LYS A 18 4.719 -4.801 -19.098 1.00 0.00 H new ATOM 0 HA LYS A 18 5.593 -3.393 -21.519 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.636 -5.679 -21.060 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.045 -5.015 -22.630 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.480 -5.546 -22.169 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.996 -6.309 -20.667 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.990 -8.197 -21.962 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.361 -7.670 -22.335 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.834 -7.094 -24.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.628 -8.317 -24.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.153 -6.440 -25.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.969 -6.490 -24.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.251 -5.383 -24.353 1.00 0.00 H new ATOM 285 N ALA A 19 3.228 -2.170 -19.960 1.00 0.00 N ATOM 286 CA ALA A 19 2.123 -1.221 -19.978 1.00 0.00 C ATOM 287 C ALA A 19 2.603 0.209 -20.210 1.00 0.00 C ATOM 288 O ALA A 19 3.059 0.877 -19.280 1.00 0.00 O ATOM 289 CB ALA A 19 1.333 -1.305 -18.676 1.00 0.00 C ATOM 0 H ALA A 19 3.674 -2.277 -19.049 1.00 0.00 H new ATOM 0 HA ALA A 19 1.475 -1.490 -20.812 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.510 -0.591 -18.703 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.935 -2.313 -18.556 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.989 -1.072 -17.837 1.00 0.00 H new ATOM 295 N ASP A 20 2.448 0.708 -21.439 1.00 0.00 N ATOM 296 CA ASP A 20 2.765 2.092 -21.773 1.00 0.00 C ATOM 297 C ASP A 20 1.657 2.994 -21.224 1.00 0.00 C ATOM 298 O ASP A 20 0.816 3.495 -21.964 1.00 0.00 O ATOM 299 CB ASP A 20 2.947 2.250 -23.284 1.00 0.00 C ATOM 300 CG ASP A 20 3.254 3.690 -23.709 1.00 0.00 C ATOM 301 OD1 ASP A 20 3.565 4.517 -22.822 1.00 0.00 O ATOM 302 OD2 ASP A 20 3.170 3.937 -24.930 1.00 0.00 O ATOM 0 H ASP A 20 2.100 0.162 -22.227 1.00 0.00 H new ATOM 0 HA ASP A 20 3.709 2.386 -21.314 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.757 1.600 -23.616 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.041 1.914 -23.789 1.00 0.00 H new ATOM 307 N GLY A 21 1.654 3.167 -19.906 1.00 0.00 N ATOM 308 CA GLY A 21 0.683 3.970 -19.190 1.00 0.00 C ATOM 309 C GLY A 21 1.091 4.088 -17.725 1.00 0.00 C ATOM 310 O GLY A 21 2.108 3.519 -17.320 1.00 0.00 O ATOM 0 H GLY A 21 2.349 2.738 -19.294 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.615 4.961 -19.639 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.305 3.516 -19.267 1.00 0.00 H new ATOM 314 N ALA A 22 0.293 4.832 -16.952 1.00 0.00 N ATOM 315 CA ALA A 22 0.494 5.071 -15.532 1.00 0.00 C ATOM 316 C ALA A 22 -0.195 3.976 -14.716 1.00 0.00 C ATOM 317 O ALA A 22 -1.424 3.868 -14.746 1.00 0.00 O ATOM 318 CB ALA A 22 -0.054 6.454 -15.164 1.00 0.00 C ATOM 0 H ALA A 22 -0.538 5.298 -17.317 1.00 0.00 H new ATOM 0 HA ALA A 22 1.559 5.046 -15.303 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.096 6.634 -14.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.470 7.218 -15.738 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.119 6.496 -15.392 1.00 0.00 H new ATOM 324 N ILE A 23 0.584 3.168 -13.989 1.00 0.00 N ATOM 325 CA ILE A 23 0.094 2.087 -13.150 1.00 0.00 C ATOM 326 C ILE A 23 0.566 2.294 -11.707 1.00 0.00 C ATOM 327 O ILE A 23 1.768 2.299 -11.449 1.00 0.00 O ATOM 328 CB ILE A 23 0.530 0.725 -13.719 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.175 0.611 -15.218 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.048 -0.411 -12.862 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.190 -0.803 -15.674 1.00 0.00 C ATOM 0 H ILE A 23 1.600 3.257 -13.973 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.996 2.094 -13.144 1.00 0.00 H new ATOM 0 HB ILE A 23 1.615 0.638 -13.667 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.661 1.276 -15.433 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.022 0.963 -15.807 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.265 -1.371 -13.272 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.316 -0.317 -11.839 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.136 -0.352 -12.866 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.425 -0.793 -16.738 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.652 -1.472 -15.495 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.057 -1.153 -15.114 1.00 0.00 H new ATOM 343 N LEU A 24 -0.371 2.417 -10.760 1.00 0.00 N ATOM 344 CA LEU A 24 -0.057 2.531 -9.340 1.00 0.00 C ATOM 345 C LEU A 24 -0.048 1.119 -8.775 1.00 0.00 C ATOM 346 O LEU A 24 -1.109 0.561 -8.504 1.00 0.00 O ATOM 347 CB LEU A 24 -1.077 3.421 -8.610 1.00 0.00 C ATOM 348 CG LEU A 24 -0.760 3.598 -7.112 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.413 4.568 -6.914 1.00 0.00 C ATOM 350 CD2 LEU A 24 -1.987 4.115 -6.357 1.00 0.00 C ATOM 0 H LEU A 24 -1.370 2.440 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 24 0.913 3.007 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.104 4.400 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.071 2.987 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.483 2.622 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.619 4.678 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.298 4.176 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.157 5.540 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.742 4.233 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.289 5.078 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.805 3.403 -6.462 1.00 0.00 H new ATOM 362 N VAL A 25 1.141 0.543 -8.603 1.00 0.00 N ATOM 363 CA VAL A 25 1.295 -0.805 -8.079 1.00 0.00 C ATOM 364 C VAL A 25 1.432 -0.742 -6.562 1.00 0.00 C ATOM 365 O VAL A 25 2.428 -0.226 -6.057 1.00 0.00 O ATOM 366 CB VAL A 25 2.507 -1.499 -8.713 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.640 -2.913 -8.138 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.366 -1.588 -10.236 1.00 0.00 C ATOM 0 H VAL A 25 2.024 1.003 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 25 0.412 -1.393 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 25 3.395 -0.909 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.501 -3.409 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.777 -2.855 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.737 -3.482 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.241 -2.085 -10.654 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.471 -2.158 -10.486 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.285 -0.584 -10.653 1.00 0.00 H new ATOM 378 N ASP A 26 0.454 -1.285 -5.836 1.00 0.00 N ATOM 379 CA ASP A 26 0.460 -1.348 -4.384 1.00 0.00 C ATOM 380 C ASP A 26 0.869 -2.753 -3.944 1.00 0.00 C ATOM 381 O ASP A 26 0.087 -3.688 -4.082 1.00 0.00 O ATOM 382 CB ASP A 26 -0.930 -0.997 -3.838 1.00 0.00 C ATOM 383 CG ASP A 26 -1.058 -1.412 -2.378 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.065 -1.977 -1.967 1.00 0.00 O ATOM 385 OD2 ASP A 26 0.001 -1.168 -1.564 1.00 0.00 O ATOM 0 H ASP A 26 -0.379 -1.700 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 26 1.176 -0.627 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.103 0.075 -3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.696 -1.497 -4.431 1.00 0.00 H new ATOM 391 N PHE A 27 2.058 -2.904 -3.367 1.00 0.00 N ATOM 392 CA PHE A 27 2.512 -4.171 -2.815 1.00 0.00 C ATOM 393 C PHE A 27 1.833 -4.283 -1.446 1.00 0.00 C ATOM 394 O PHE A 27 1.945 -3.348 -0.649 1.00 0.00 O ATOM 395 CB PHE A 27 4.043 -4.194 -2.702 1.00 0.00 C ATOM 396 CG PHE A 27 4.819 -4.218 -4.013 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.738 -3.146 -4.924 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.714 -5.276 -4.278 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.480 -3.172 -6.118 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.492 -5.274 -5.447 1.00 0.00 C ATOM 401 CZ PHE A 27 6.356 -4.236 -6.383 1.00 0.00 C ATOM 0 H PHE A 27 2.734 -2.146 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 27 2.250 -5.017 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.357 -3.317 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.329 -5.070 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.103 -2.301 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.801 -6.093 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.375 -2.370 -6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.197 -6.073 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.923 -4.256 -7.302 1.00 0.00 H new ATOM 411 N TRP A 28 1.097 -5.373 -1.188 1.00 0.00 N ATOM 412 CA TRP A 28 0.315 -5.554 0.034 1.00 0.00 C ATOM 413 C TRP A 28 0.381 -6.984 0.576 1.00 0.00 C ATOM 414 O TRP A 28 0.878 -7.890 -0.093 1.00 0.00 O ATOM 415 CB TRP A 28 -1.154 -5.208 -0.259 1.00 0.00 C ATOM 416 CG TRP A 28 -1.876 -6.166 -1.158 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.730 -6.232 -2.494 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.832 -7.212 -0.814 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.486 -7.269 -3.001 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.200 -7.901 -2.009 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.438 -7.643 0.383 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.118 -8.961 -2.015 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.356 -8.711 0.389 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.697 -9.369 -0.805 1.00 0.00 C ATOM 0 H TRP A 28 1.030 -6.161 -1.832 1.00 0.00 H new ATOM 0 HA TRP A 28 0.740 -4.895 0.791 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.691 -5.150 0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.193 -4.216 -0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.112 -5.571 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.512 -7.533 -3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.195 -7.146 1.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.376 -9.457 -2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.802 -9.027 1.320 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.403 -10.186 -0.791 1.00 0.00 H new ATOM 435 N ALA A 29 -0.185 -7.171 1.774 1.00 0.00 N ATOM 436 CA ALA A 29 -0.330 -8.450 2.450 1.00 0.00 C ATOM 437 C ALA A 29 -1.608 -8.401 3.285 1.00 0.00 C ATOM 438 O ALA A 29 -1.828 -7.427 4.003 1.00 0.00 O ATOM 439 CB ALA A 29 0.866 -8.716 3.361 1.00 0.00 C ATOM 0 H ALA A 29 -0.569 -6.397 2.316 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.380 -9.251 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.738 -9.678 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.779 -8.733 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.935 -7.927 4.110 1.00 0.00 H new ATOM 445 N GLU A 30 -2.451 -9.430 3.194 1.00 0.00 N ATOM 446 CA GLU A 30 -3.727 -9.517 3.897 1.00 0.00 C ATOM 447 C GLU A 30 -3.637 -9.204 5.396 1.00 0.00 C ATOM 448 O GLU A 30 -4.523 -8.560 5.949 1.00 0.00 O ATOM 449 CB GLU A 30 -4.408 -10.871 3.617 1.00 0.00 C ATOM 450 CG GLU A 30 -3.630 -12.128 4.051 1.00 0.00 C ATOM 451 CD GLU A 30 -2.384 -12.441 3.220 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.321 -11.967 2.064 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.505 -13.139 3.767 1.00 0.00 O ATOM 0 H GLU A 30 -2.258 -10.246 2.614 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.359 -8.726 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.376 -10.877 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.603 -10.941 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.332 -12.010 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.302 -12.985 4.007 1.00 0.00 H new ATOM 460 N TRP A 31 -2.576 -9.662 6.060 1.00 0.00 N ATOM 461 CA TRP A 31 -2.378 -9.435 7.487 1.00 0.00 C ATOM 462 C TRP A 31 -1.896 -8.010 7.787 1.00 0.00 C ATOM 463 O TRP A 31 -2.014 -7.539 8.919 1.00 0.00 O ATOM 464 CB TRP A 31 -1.381 -10.471 8.022 1.00 0.00 C ATOM 465 CG TRP A 31 -0.077 -10.548 7.284 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.218 -11.444 6.318 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.097 -9.683 7.397 1.00 0.00 C ATOM 468 NE1 TRP A 31 1.471 -11.181 5.809 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.055 -10.094 6.424 1.00 0.00 C ATOM 470 CE3 TRP A 31 1.445 -8.584 8.212 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.279 -9.432 6.247 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.679 -7.925 8.060 1.00 0.00 C ATOM 473 CH2 TRP A 31 3.596 -8.347 7.080 1.00 0.00 C ATOM 0 H TRP A 31 -1.830 -10.201 5.621 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.338 -9.549 7.990 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -1.174 -10.245 9.068 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.853 -11.453 7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.430 -12.245 5.994 1.00 0.00 H new ATOM 0 HE1 TRP A 31 1.913 -11.724 5.067 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.751 -8.243 8.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.969 -9.753 5.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 2.924 -7.090 8.700 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.542 -7.837 6.969 1.00 0.00 H new ATOM 484 N CYS A 32 -1.336 -7.310 6.798 1.00 0.00 N ATOM 485 CA CYS A 32 -0.766 -5.991 7.008 1.00 0.00 C ATOM 486 C CYS A 32 -1.848 -4.913 7.048 1.00 0.00 C ATOM 487 O CYS A 32 -2.027 -4.171 6.088 1.00 0.00 O ATOM 488 CB CYS A 32 0.307 -5.717 5.955 1.00 0.00 C ATOM 489 SG CYS A 32 0.956 -4.047 6.182 1.00 0.00 S ATOM 0 H CYS A 32 -1.268 -7.645 5.837 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.284 -5.963 7.985 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.112 -6.447 6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.113 -5.823 4.955 1.00 0.00 H new ATOM 0 HG CYS A 32 1.341 -3.571 5.035 1.00 0.00 H new ATOM 495 N GLY A 33 -2.548 -4.834 8.184 1.00 0.00 N ATOM 496 CA GLY A 33 -3.601 -3.874 8.523 1.00 0.00 C ATOM 497 C GLY A 33 -3.788 -2.695 7.553 1.00 0.00 C ATOM 498 O GLY A 33 -4.792 -2.663 6.839 1.00 0.00 O ATOM 0 H GLY A 33 -2.380 -5.489 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.546 -4.413 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.391 -3.471 9.514 1.00 0.00 H new ATOM 502 N PRO A 34 -2.860 -1.719 7.517 1.00 0.00 N ATOM 503 CA PRO A 34 -2.948 -0.537 6.664 1.00 0.00 C ATOM 504 C PRO A 34 -3.315 -0.829 5.204 1.00 0.00 C ATOM 505 O PRO A 34 -4.026 -0.040 4.587 1.00 0.00 O ATOM 506 CB PRO A 34 -1.618 0.213 6.810 1.00 0.00 C ATOM 507 CG PRO A 34 -0.691 -0.778 7.515 1.00 0.00 C ATOM 508 CD PRO A 34 -1.646 -1.662 8.314 1.00 0.00 C ATOM 0 HA PRO A 34 -3.782 0.082 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.220 0.506 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.740 1.126 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.110 -1.360 6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.021 -0.268 8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.228 -2.657 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.841 -1.242 9.301 1.00 0.00 H new ATOM 516 N CYS A 35 -2.881 -1.964 4.651 1.00 0.00 N ATOM 517 CA CYS A 35 -3.224 -2.386 3.298 1.00 0.00 C ATOM 518 C CYS A 35 -4.743 -2.369 3.115 1.00 0.00 C ATOM 519 O CYS A 35 -5.268 -1.822 2.146 1.00 0.00 O ATOM 520 CB CYS A 35 -2.712 -3.809 3.038 1.00 0.00 C ATOM 521 SG CYS A 35 -0.903 -3.865 3.017 1.00 0.00 S ATOM 0 H CYS A 35 -2.274 -2.622 5.140 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.757 -1.696 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.090 -4.480 3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.100 -4.169 2.085 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.453 -3.820 4.236 1.00 0.00 H new ATOM 527 N LYS A 36 -5.455 -2.959 4.078 1.00 0.00 N ATOM 528 CA LYS A 36 -6.908 -3.037 4.066 1.00 0.00 C ATOM 529 C LYS A 36 -7.522 -1.655 4.273 1.00 0.00 C ATOM 530 O LYS A 36 -8.607 -1.388 3.762 1.00 0.00 O ATOM 531 CB LYS A 36 -7.376 -4.043 5.121 1.00 0.00 C ATOM 532 CG LYS A 36 -6.895 -5.458 4.760 1.00 0.00 C ATOM 533 CD LYS A 36 -7.130 -6.472 5.887 1.00 0.00 C ATOM 534 CE LYS A 36 -6.244 -6.167 7.103 1.00 0.00 C ATOM 535 NZ LYS A 36 -6.110 -7.344 7.977 1.00 0.00 N ATOM 0 H LYS A 36 -5.030 -3.399 4.894 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.248 -3.390 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.990 -3.759 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.464 -4.028 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.412 -5.794 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.832 -5.426 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.179 -6.453 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.920 -7.478 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.258 -5.848 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.671 -5.339 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.637 -7.068 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.053 -7.725 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.545 -8.072 7.495 1.00 0.00 H new ATOM 549 N MET A 37 -6.830 -0.764 4.989 1.00 0.00 N ATOM 550 CA MET A 37 -7.305 0.595 5.198 1.00 0.00 C ATOM 551 C MET A 37 -7.220 1.374 3.882 1.00 0.00 C ATOM 552 O MET A 37 -8.164 2.074 3.523 1.00 0.00 O ATOM 553 CB MET A 37 -6.535 1.290 6.328 1.00 0.00 C ATOM 554 CG MET A 37 -6.585 0.507 7.647 1.00 0.00 C ATOM 555 SD MET A 37 -8.239 0.227 8.331 1.00 0.00 S ATOM 556 CE MET A 37 -7.809 -0.720 9.806 1.00 0.00 C ATOM 0 H MET A 37 -5.935 -0.967 5.433 1.00 0.00 H new ATOM 0 HA MET A 37 -8.348 0.563 5.512 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.496 1.421 6.027 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.949 2.286 6.485 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.107 -0.460 7.492 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.991 1.041 8.388 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.717 -0.978 10.350 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.290 -1.633 9.514 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.160 -0.122 10.446 1.00 0.00 H new ATOM 566 N ILE A 38 -6.103 1.257 3.151 1.00 0.00 N ATOM 567 CA ILE A 38 -5.970 1.957 1.877 1.00 0.00 C ATOM 568 C ILE A 38 -6.806 1.310 0.771 1.00 0.00 C ATOM 569 O ILE A 38 -7.239 2.024 -0.124 1.00 0.00 O ATOM 570 CB ILE A 38 -4.511 2.198 1.449 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.757 0.899 1.143 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.769 3.045 2.490 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.436 1.158 0.414 1.00 0.00 C ATOM 0 H ILE A 38 -5.295 0.694 3.418 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.383 2.951 2.048 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.546 2.756 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.559 0.368 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.386 0.250 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.740 3.202 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.267 4.009 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.772 2.527 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.936 0.209 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.635 1.665 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.795 1.784 1.034 1.00 0.00 H new ATOM 585 N ALA A 39 -7.035 -0.010 0.796 1.00 0.00 N ATOM 586 CA ALA A 39 -7.824 -0.719 -0.218 1.00 0.00 C ATOM 587 C ALA A 39 -9.042 0.070 -0.754 1.00 0.00 C ATOM 588 O ALA A 39 -9.086 0.346 -1.955 1.00 0.00 O ATOM 589 CB ALA A 39 -8.195 -2.122 0.274 1.00 0.00 C ATOM 0 H ALA A 39 -6.674 -0.621 1.529 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.179 -0.821 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.780 -2.633 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.286 -2.689 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.783 -2.043 1.188 1.00 0.00 H new ATOM 595 N PRO A 40 -10.025 0.468 0.077 1.00 0.00 N ATOM 596 CA PRO A 40 -11.163 1.247 -0.391 1.00 0.00 C ATOM 597 C PRO A 40 -10.713 2.554 -1.049 1.00 0.00 C ATOM 598 O PRO A 40 -11.246 2.930 -2.092 1.00 0.00 O ATOM 599 CB PRO A 40 -12.051 1.494 0.831 1.00 0.00 C ATOM 600 CG PRO A 40 -11.102 1.310 2.011 1.00 0.00 C ATOM 601 CD PRO A 40 -10.137 0.242 1.506 1.00 0.00 C ATOM 0 HA PRO A 40 -11.716 0.710 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.483 2.495 0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.882 0.789 0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.585 2.236 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.630 0.986 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.166 0.327 1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.513 -0.759 1.717 1.00 0.00 H new ATOM 609 N ILE A 41 -9.707 3.229 -0.484 1.00 0.00 N ATOM 610 CA ILE A 41 -9.168 4.454 -1.060 1.00 0.00 C ATOM 611 C ILE A 41 -8.671 4.137 -2.474 1.00 0.00 C ATOM 612 O ILE A 41 -9.032 4.825 -3.422 1.00 0.00 O ATOM 613 CB ILE A 41 -8.056 5.080 -0.194 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.435 5.117 1.297 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.772 6.503 -0.701 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.327 5.730 2.156 1.00 0.00 C ATOM 0 H ILE A 41 -9.249 2.940 0.380 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.958 5.204 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.164 4.460 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.352 5.693 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.644 4.105 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.987 6.955 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.449 6.461 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.679 7.103 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.638 5.736 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.417 5.140 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.136 6.752 1.829 1.00 0.00 H new ATOM 628 N LEU A 42 -7.873 3.078 -2.628 1.00 0.00 N ATOM 629 CA LEU A 42 -7.367 2.642 -3.922 1.00 0.00 C ATOM 630 C LEU A 42 -8.534 2.398 -4.889 1.00 0.00 C ATOM 631 O LEU A 42 -8.478 2.835 -6.037 1.00 0.00 O ATOM 632 CB LEU A 42 -6.456 1.412 -3.765 1.00 0.00 C ATOM 633 CG LEU A 42 -5.100 1.715 -3.103 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.439 0.386 -2.725 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.151 2.474 -4.038 1.00 0.00 C ATOM 0 H LEU A 42 -7.560 2.498 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.750 3.430 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.978 0.660 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.279 0.976 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.286 2.341 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.475 0.580 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.081 -0.155 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.290 -0.214 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.209 2.664 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.964 1.876 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.605 3.422 -4.325 1.00 0.00 H new ATOM 647 N ASP A 43 -9.606 1.736 -4.439 1.00 0.00 N ATOM 648 CA ASP A 43 -10.780 1.521 -5.286 1.00 0.00 C ATOM 649 C ASP A 43 -11.393 2.861 -5.716 1.00 0.00 C ATOM 650 O ASP A 43 -11.690 3.060 -6.894 1.00 0.00 O ATOM 651 CB ASP A 43 -11.826 0.645 -4.583 1.00 0.00 C ATOM 652 CG ASP A 43 -11.411 -0.821 -4.521 1.00 0.00 C ATOM 653 OD1 ASP A 43 -11.413 -1.451 -5.601 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.127 -1.294 -3.401 1.00 0.00 O ATOM 0 H ASP A 43 -9.683 1.344 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.451 0.991 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.987 1.017 -3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.778 0.728 -5.108 1.00 0.00 H new ATOM 659 N GLU A 44 -11.574 3.792 -4.772 1.00 0.00 N ATOM 660 CA GLU A 44 -12.120 5.112 -5.073 1.00 0.00 C ATOM 661 C GLU A 44 -11.247 5.791 -6.128 1.00 0.00 C ATOM 662 O GLU A 44 -11.742 6.241 -7.156 1.00 0.00 O ATOM 663 CB GLU A 44 -12.204 5.971 -3.805 1.00 0.00 C ATOM 664 CG GLU A 44 -13.239 5.447 -2.804 1.00 0.00 C ATOM 665 CD GLU A 44 -13.031 6.068 -1.426 1.00 0.00 C ATOM 666 OE1 GLU A 44 -13.048 7.317 -1.361 1.00 0.00 O ATOM 667 OE2 GLU A 44 -12.845 5.289 -0.465 1.00 0.00 O ATOM 0 H GLU A 44 -11.347 3.650 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.132 4.998 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.225 6.002 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.457 6.995 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.243 5.675 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.164 4.362 -2.733 1.00 0.00 H new ATOM 674 N ILE A 45 -9.938 5.832 -5.882 1.00 0.00 N ATOM 675 CA ILE A 45 -8.957 6.398 -6.791 1.00 0.00 C ATOM 676 C ILE A 45 -9.118 5.764 -8.175 1.00 0.00 C ATOM 677 O ILE A 45 -9.205 6.481 -9.168 1.00 0.00 O ATOM 678 CB ILE A 45 -7.552 6.208 -6.190 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.341 7.078 -4.935 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.422 6.422 -7.203 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.262 8.588 -5.173 1.00 0.00 C ATOM 0 H ILE A 45 -9.527 5.463 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.109 7.470 -6.921 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.504 5.161 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.157 6.882 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.421 6.758 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.460 6.273 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.527 5.709 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.474 7.437 -7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.113 9.099 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.427 8.808 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.190 8.934 -5.629 1.00 0.00 H new ATOM 693 N ALA A 46 -9.184 4.432 -8.250 1.00 0.00 N ATOM 694 CA ALA A 46 -9.373 3.735 -9.515 1.00 0.00 C ATOM 695 C ALA A 46 -10.617 4.255 -10.233 1.00 0.00 C ATOM 696 O ALA A 46 -10.572 4.565 -11.421 1.00 0.00 O ATOM 697 CB ALA A 46 -9.481 2.229 -9.277 1.00 0.00 C ATOM 0 H ALA A 46 -9.108 3.816 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.508 3.926 -10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.622 1.719 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.567 1.869 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.331 2.024 -8.626 1.00 0.00 H new ATOM 703 N ASP A 47 -11.730 4.365 -9.502 1.00 0.00 N ATOM 704 CA ASP A 47 -12.977 4.871 -10.056 1.00 0.00 C ATOM 705 C ASP A 47 -12.820 6.312 -10.555 1.00 0.00 C ATOM 706 O ASP A 47 -13.301 6.641 -11.636 1.00 0.00 O ATOM 707 CB ASP A 47 -14.096 4.751 -9.016 1.00 0.00 C ATOM 708 CG ASP A 47 -15.436 5.163 -9.610 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.070 4.285 -10.231 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.801 6.345 -9.430 1.00 0.00 O ATOM 0 H ASP A 47 -11.786 4.106 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.247 4.265 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.154 3.724 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.867 5.379 -8.155 1.00 0.00 H new ATOM 715 N GLU A 48 -12.164 7.172 -9.771 1.00 0.00 N ATOM 716 CA GLU A 48 -11.953 8.580 -10.089 1.00 0.00 C ATOM 717 C GLU A 48 -11.056 8.782 -11.315 1.00 0.00 C ATOM 718 O GLU A 48 -11.370 9.601 -12.178 1.00 0.00 O ATOM 719 CB GLU A 48 -11.345 9.296 -8.878 1.00 0.00 C ATOM 720 CG GLU A 48 -12.338 9.411 -7.715 1.00 0.00 C ATOM 721 CD GLU A 48 -11.645 9.933 -6.463 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.014 9.106 -5.771 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.742 11.157 -6.222 1.00 0.00 O ATOM 0 H GLU A 48 -11.757 6.898 -8.877 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.927 9.006 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.459 8.755 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.017 10.293 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.153 10.080 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.781 8.436 -7.511 1.00 0.00 H new ATOM 730 N TYR A 49 -9.932 8.061 -11.381 1.00 0.00 N ATOM 731 CA TYR A 49 -8.948 8.158 -12.457 1.00 0.00 C ATOM 732 C TYR A 49 -9.125 7.013 -13.462 1.00 0.00 C ATOM 733 O TYR A 49 -8.151 6.462 -13.977 1.00 0.00 O ATOM 734 CB TYR A 49 -7.537 8.160 -11.852 1.00 0.00 C ATOM 735 CG TYR A 49 -7.179 9.371 -11.012 1.00 0.00 C ATOM 736 CD1 TYR A 49 -6.546 10.480 -11.607 1.00 0.00 C ATOM 737 CD2 TYR A 49 -7.325 9.327 -9.613 1.00 0.00 C ATOM 738 CE1 TYR A 49 -6.015 11.507 -10.802 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.768 10.334 -8.811 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.099 11.417 -9.402 1.00 0.00 C ATOM 741 OH TYR A 49 -5.524 12.365 -8.610 1.00 0.00 O ATOM 0 H TYR A 49 -9.678 7.377 -10.668 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.098 9.090 -13.002 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.426 7.268 -11.235 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.814 8.078 -12.664 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.468 10.543 -12.682 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.869 8.514 -9.155 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.543 12.363 -11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.854 10.276 -7.736 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.170 13.081 -8.436 1.00 0.00 H new ATOM 751 N GLN A 50 -10.373 6.646 -13.756 1.00 0.00 N ATOM 752 CA GLN A 50 -10.690 5.569 -14.677 1.00 0.00 C ATOM 753 C GLN A 50 -9.998 5.752 -16.029 1.00 0.00 C ATOM 754 O GLN A 50 -10.147 6.784 -16.676 1.00 0.00 O ATOM 755 CB GLN A 50 -12.218 5.410 -14.798 1.00 0.00 C ATOM 756 CG GLN A 50 -12.965 6.494 -15.607 1.00 0.00 C ATOM 757 CD GLN A 50 -12.708 7.922 -15.126 1.00 0.00 C ATOM 758 OE1 GLN A 50 -12.290 8.787 -15.887 1.00 0.00 O ATOM 759 NE2 GLN A 50 -12.973 8.192 -13.854 1.00 0.00 N ATOM 0 H GLN A 50 -11.195 7.096 -13.354 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.295 4.637 -14.273 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.425 4.442 -15.254 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.638 5.385 -13.793 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.672 6.417 -16.654 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.035 6.294 -15.560 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.320 7.457 -13.238 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.830 9.135 -13.492 1.00 0.00 H new ATOM 768 N GLY A 51 -9.192 4.769 -16.441 1.00 0.00 N ATOM 769 CA GLY A 51 -8.449 4.824 -17.695 1.00 0.00 C ATOM 770 C GLY A 51 -7.298 5.839 -17.686 1.00 0.00 C ATOM 771 O GLY A 51 -6.528 5.888 -18.641 1.00 0.00 O ATOM 0 H GLY A 51 -9.039 3.912 -15.910 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.047 3.834 -17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.136 5.074 -18.503 1.00 0.00 H new ATOM 775 N LYS A 52 -7.164 6.636 -16.622 1.00 0.00 N ATOM 776 CA LYS A 52 -6.130 7.645 -16.462 1.00 0.00 C ATOM 777 C LYS A 52 -5.027 7.072 -15.572 1.00 0.00 C ATOM 778 O LYS A 52 -3.850 7.341 -15.800 1.00 0.00 O ATOM 779 CB LYS A 52 -6.753 8.909 -15.855 1.00 0.00 C ATOM 780 CG LYS A 52 -7.809 9.525 -16.787 1.00 0.00 C ATOM 781 CD LYS A 52 -8.915 10.210 -15.977 1.00 0.00 C ATOM 782 CE LYS A 52 -9.911 10.904 -16.910 1.00 0.00 C ATOM 783 NZ LYS A 52 -11.098 11.366 -16.169 1.00 0.00 N ATOM 0 H LYS A 52 -7.798 6.589 -15.824 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.692 7.916 -17.422 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.211 8.665 -14.897 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.971 9.642 -15.657 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.337 10.249 -17.451 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.242 8.748 -17.418 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.434 9.473 -15.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.477 10.939 -15.296 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.429 11.752 -17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.216 10.216 -17.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.630 12.043 -16.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.705 10.552 -15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.798 11.830 -15.288 1.00 0.00 H new ATOM 797 N LEU A 53 -5.405 6.268 -14.570 1.00 0.00 N ATOM 798 CA LEU A 53 -4.469 5.619 -13.666 1.00 0.00 C ATOM 799 C LEU A 53 -4.909 4.174 -13.472 1.00 0.00 C ATOM 800 O LEU A 53 -6.022 3.919 -13.017 1.00 0.00 O ATOM 801 CB LEU A 53 -4.460 6.357 -12.325 1.00 0.00 C ATOM 802 CG LEU A 53 -3.452 5.783 -11.320 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.009 6.136 -11.704 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.780 6.359 -9.944 1.00 0.00 C ATOM 0 H LEU A 53 -6.381 6.053 -14.369 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.461 5.641 -14.081 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.230 7.408 -12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.459 6.317 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.528 4.696 -11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.323 5.713 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.784 5.727 -12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.893 7.220 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.077 5.967 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.702 7.446 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.795 6.076 -9.663 1.00 0.00 H new ATOM 816 N THR A 54 -4.030 3.221 -13.784 1.00 0.00 N ATOM 817 CA THR A 54 -4.322 1.813 -13.583 1.00 0.00 C ATOM 818 C THR A 54 -3.935 1.464 -12.148 1.00 0.00 C ATOM 819 O THR A 54 -2.756 1.324 -11.830 1.00 0.00 O ATOM 820 CB THR A 54 -3.561 0.974 -14.613 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.846 1.446 -15.913 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.919 -0.511 -14.530 1.00 0.00 C ATOM 0 H THR A 54 -3.108 3.406 -14.178 1.00 0.00 H new ATOM 0 HA THR A 54 -5.381 1.598 -13.726 1.00 0.00 H new ATOM 0 HB THR A 54 -2.498 1.075 -14.392 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.357 0.909 -16.571 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.354 -1.064 -15.280 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.673 -0.890 -13.538 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.986 -0.639 -14.713 1.00 0.00 H new ATOM 830 N VAL A 55 -4.916 1.332 -11.259 1.00 0.00 N ATOM 831 CA VAL A 55 -4.635 0.961 -9.885 1.00 0.00 C ATOM 832 C VAL A 55 -4.421 -0.553 -9.864 1.00 0.00 C ATOM 833 O VAL A 55 -5.242 -1.306 -10.392 1.00 0.00 O ATOM 834 CB VAL A 55 -5.781 1.419 -8.979 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.527 1.014 -7.526 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.911 2.948 -9.034 1.00 0.00 C ATOM 0 H VAL A 55 -5.904 1.476 -11.468 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.738 1.448 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.695 0.943 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.356 1.351 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.442 -0.071 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.602 1.472 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.728 3.267 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.981 3.405 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.116 3.259 -10.058 1.00 0.00 H new ATOM 846 N ALA A 56 -3.307 -1.002 -9.288 1.00 0.00 N ATOM 847 CA ALA A 56 -2.947 -2.405 -9.234 1.00 0.00 C ATOM 848 C ALA A 56 -2.519 -2.781 -7.819 1.00 0.00 C ATOM 849 O ALA A 56 -1.983 -1.949 -7.088 1.00 0.00 O ATOM 850 CB ALA A 56 -1.845 -2.669 -10.261 1.00 0.00 C ATOM 0 H ALA A 56 -2.625 -0.388 -8.842 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.804 -3.030 -9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.564 -3.722 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.209 -2.419 -11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.975 -2.055 -10.027 1.00 0.00 H new ATOM 856 N LYS A 57 -2.753 -4.034 -7.428 1.00 0.00 N ATOM 857 CA LYS A 57 -2.403 -4.551 -6.111 1.00 0.00 C ATOM 858 C LYS A 57 -1.624 -5.852 -6.282 1.00 0.00 C ATOM 859 O LYS A 57 -2.036 -6.716 -7.045 1.00 0.00 O ATOM 860 CB LYS A 57 -3.666 -4.762 -5.265 1.00 0.00 C ATOM 861 CG LYS A 57 -4.166 -3.435 -4.681 1.00 0.00 C ATOM 862 CD LYS A 57 -5.370 -3.502 -3.719 1.00 0.00 C ATOM 863 CE LYS A 57 -6.226 -4.771 -3.719 1.00 0.00 C ATOM 864 NZ LYS A 57 -5.632 -5.841 -2.899 1.00 0.00 N ATOM 0 H LYS A 57 -3.198 -4.727 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.777 -3.831 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.448 -5.211 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.454 -5.462 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.337 -2.963 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.431 -2.779 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.996 -3.353 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.024 -2.659 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.221 -4.536 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.348 -5.125 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.386 -6.354 -2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.113 -6.501 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.977 -5.425 -2.206 1.00 0.00 H new ATOM 878 N LEU A 58 -0.499 -6.003 -5.584 1.00 0.00 N ATOM 879 CA LEU A 58 0.349 -7.183 -5.662 1.00 0.00 C ATOM 880 C LEU A 58 0.472 -7.831 -4.286 1.00 0.00 C ATOM 881 O LEU A 58 1.001 -7.225 -3.357 1.00 0.00 O ATOM 882 CB LEU A 58 1.697 -6.770 -6.247 1.00 0.00 C ATOM 883 CG LEU A 58 2.600 -7.990 -6.491 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.443 -7.701 -7.724 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.542 -8.271 -5.313 1.00 0.00 C ATOM 0 H LEU A 58 -0.149 -5.295 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.088 -7.936 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.540 -6.238 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.194 -6.078 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 58 1.964 -8.866 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.097 -8.550 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.790 -7.535 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.047 -6.811 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.157 -9.143 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.185 -7.407 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.955 -8.464 -4.415 1.00 0.00 H new ATOM 897 N ASN A 59 -0.028 -9.064 -4.150 1.00 0.00 N ATOM 898 CA ASN A 59 0.035 -9.787 -2.888 1.00 0.00 C ATOM 899 C ASN A 59 1.439 -10.359 -2.695 1.00 0.00 C ATOM 900 O ASN A 59 1.824 -11.308 -3.385 1.00 0.00 O ATOM 901 CB ASN A 59 -1.011 -10.902 -2.838 1.00 0.00 C ATOM 902 CG ASN A 59 -0.956 -11.570 -1.470 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.134 -12.451 -1.247 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.796 -11.135 -0.537 1.00 0.00 N ATOM 0 H ASN A 59 -0.481 -9.578 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.184 -9.092 -2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.006 -10.494 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.819 -11.634 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.769 -11.536 0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.467 -10.400 -0.758 1.00 0.00 H new ATOM 911 N ILE A 60 2.199 -9.776 -1.767 1.00 0.00 N ATOM 912 CA ILE A 60 3.576 -10.172 -1.494 1.00 0.00 C ATOM 913 C ILE A 60 3.678 -11.570 -0.886 1.00 0.00 C ATOM 914 O ILE A 60 4.680 -12.245 -1.091 1.00 0.00 O ATOM 915 CB ILE A 60 4.290 -9.127 -0.621 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.708 -9.047 0.801 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.254 -7.752 -1.300 1.00 0.00 C ATOM 918 CD1 ILE A 60 4.582 -9.779 1.826 1.00 0.00 C ATOM 0 H ILE A 60 1.871 -9.009 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 60 4.086 -10.217 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 60 5.326 -9.449 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.607 -8.001 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.707 -9.477 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.763 -7.022 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.755 -7.810 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.218 -7.445 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.131 -9.695 2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.661 -10.831 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.576 -9.332 1.842 1.00 0.00 H new ATOM 930 N ASP A 61 2.670 -12.023 -0.132 1.00 0.00 N ATOM 931 CA ASP A 61 2.720 -13.346 0.486 1.00 0.00 C ATOM 932 C ASP A 61 2.839 -14.411 -0.600 1.00 0.00 C ATOM 933 O ASP A 61 3.678 -15.304 -0.523 1.00 0.00 O ATOM 934 CB ASP A 61 1.495 -13.603 1.366 1.00 0.00 C ATOM 935 CG ASP A 61 1.306 -12.497 2.394 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.882 -12.627 3.496 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.612 -11.523 2.037 1.00 0.00 O ATOM 0 H ASP A 61 1.818 -11.496 0.062 1.00 0.00 H new ATOM 0 HA ASP A 61 3.596 -13.392 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.605 -13.676 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.606 -14.560 1.876 1.00 0.00 H new ATOM 942 N GLN A 62 1.994 -14.298 -1.625 1.00 0.00 N ATOM 943 CA GLN A 62 2.020 -15.190 -2.770 1.00 0.00 C ATOM 944 C GLN A 62 3.208 -14.852 -3.675 1.00 0.00 C ATOM 945 O GLN A 62 3.758 -15.743 -4.319 1.00 0.00 O ATOM 946 CB GLN A 62 0.696 -15.085 -3.541 1.00 0.00 C ATOM 947 CG GLN A 62 -0.535 -15.488 -2.713 1.00 0.00 C ATOM 948 CD GLN A 62 -0.521 -16.959 -2.306 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.113 -17.799 -2.973 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.146 -17.286 -1.203 1.00 0.00 N ATOM 0 H GLN A 62 1.271 -13.580 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 62 2.138 -16.217 -2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.569 -14.060 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.750 -15.718 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.583 -14.869 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.437 -15.284 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.630 -16.566 -0.667 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.174 -18.257 -0.893 1.00 0.00 H new ATOM 959 N ASN A 63 3.588 -13.571 -3.754 1.00 0.00 N ATOM 960 CA ASN A 63 4.654 -13.095 -4.634 1.00 0.00 C ATOM 961 C ASN A 63 5.778 -12.408 -3.854 1.00 0.00 C ATOM 962 O ASN A 63 5.941 -11.193 -3.962 1.00 0.00 O ATOM 963 CB ASN A 63 4.048 -12.138 -5.664 1.00 0.00 C ATOM 964 CG ASN A 63 2.926 -12.807 -6.442 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.169 -13.502 -7.423 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.686 -12.604 -6.021 1.00 0.00 N ATOM 0 H ASN A 63 3.157 -12.830 -3.201 1.00 0.00 H new ATOM 0 HA ASN A 63 5.102 -13.952 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.666 -11.251 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.823 -11.803 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.903 -13.031 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.515 -12.021 -5.202 1.00 0.00 H new ATOM 973 N PRO A 64 6.576 -13.154 -3.074 1.00 0.00 N ATOM 974 CA PRO A 64 7.644 -12.568 -2.282 1.00 0.00 C ATOM 975 C PRO A 64 8.723 -11.950 -3.170 1.00 0.00 C ATOM 976 O PRO A 64 9.142 -10.823 -2.928 1.00 0.00 O ATOM 977 CB PRO A 64 8.175 -13.705 -1.402 1.00 0.00 C ATOM 978 CG PRO A 64 7.801 -14.976 -2.165 1.00 0.00 C ATOM 979 CD PRO A 64 6.495 -14.590 -2.861 1.00 0.00 C ATOM 0 HA PRO A 64 7.290 -11.742 -1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.253 -13.628 -1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.721 -13.687 -0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.572 -15.258 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.665 -15.824 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.383 -15.121 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.632 -14.847 -2.246 1.00 0.00 H new ATOM 987 N GLY A 65 9.171 -12.688 -4.192 1.00 0.00 N ATOM 988 CA GLY A 65 10.227 -12.293 -5.121 1.00 0.00 C ATOM 989 C GLY A 65 10.158 -10.836 -5.584 1.00 0.00 C ATOM 990 O GLY A 65 11.188 -10.171 -5.701 1.00 0.00 O ATOM 0 H GLY A 65 8.791 -13.612 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.193 -12.464 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.183 -12.941 -5.996 1.00 0.00 H new ATOM 994 N THR A 66 8.960 -10.324 -5.865 1.00 0.00 N ATOM 995 CA THR A 66 8.781 -8.964 -6.338 1.00 0.00 C ATOM 996 C THR A 66 9.273 -7.919 -5.323 1.00 0.00 C ATOM 997 O THR A 66 9.706 -6.836 -5.718 1.00 0.00 O ATOM 998 CB THR A 66 7.312 -8.774 -6.758 1.00 0.00 C ATOM 999 OG1 THR A 66 6.762 -10.024 -7.124 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.206 -7.847 -7.973 1.00 0.00 C ATOM 0 H THR A 66 8.089 -10.846 -5.769 1.00 0.00 H new ATOM 0 HA THR A 66 9.408 -8.799 -7.214 1.00 0.00 H new ATOM 0 HB THR A 66 6.775 -8.339 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.322 -10.439 -7.813 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.158 -7.729 -8.250 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.628 -6.873 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.756 -8.279 -8.809 1.00 0.00 H new ATOM 1008 N ALA A 67 9.226 -8.224 -4.020 1.00 0.00 N ATOM 1009 CA ALA A 67 9.661 -7.301 -2.978 1.00 0.00 C ATOM 1010 C ALA A 67 11.117 -6.842 -3.155 1.00 0.00 C ATOM 1011 O ALA A 67 11.331 -5.654 -3.399 1.00 0.00 O ATOM 1012 CB ALA A 67 9.343 -7.861 -1.585 1.00 0.00 C ATOM 0 H ALA A 67 8.885 -9.117 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 67 9.081 -6.384 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.677 -7.155 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.268 -8.014 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.858 -8.812 -1.449 1.00 0.00 H new ATOM 1018 N PRO A 68 12.133 -7.718 -3.052 1.00 0.00 N ATOM 1019 CA PRO A 68 13.515 -7.312 -3.248 1.00 0.00 C ATOM 1020 C PRO A 68 13.725 -6.738 -4.650 1.00 0.00 C ATOM 1021 O PRO A 68 14.452 -5.755 -4.788 1.00 0.00 O ATOM 1022 CB PRO A 68 14.371 -8.557 -2.993 1.00 0.00 C ATOM 1023 CG PRO A 68 13.407 -9.714 -3.240 1.00 0.00 C ATOM 1024 CD PRO A 68 12.075 -9.140 -2.758 1.00 0.00 C ATOM 0 HA PRO A 68 13.799 -6.514 -2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.228 -8.599 -3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.763 -8.572 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.371 -9.995 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.691 -10.606 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.237 -9.612 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.936 -9.314 -1.691 1.00 0.00 H new ATOM 1032 N LYS A 69 13.084 -7.308 -5.682 1.00 0.00 N ATOM 1033 CA LYS A 69 13.219 -6.810 -7.051 1.00 0.00 C ATOM 1034 C LYS A 69 12.950 -5.305 -7.144 1.00 0.00 C ATOM 1035 O LYS A 69 13.617 -4.621 -7.916 1.00 0.00 O ATOM 1036 CB LYS A 69 12.317 -7.588 -8.018 1.00 0.00 C ATOM 1037 CG LYS A 69 12.826 -9.020 -8.230 1.00 0.00 C ATOM 1038 CD LYS A 69 11.832 -9.924 -8.978 1.00 0.00 C ATOM 1039 CE LYS A 69 11.568 -9.512 -10.431 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.505 -8.498 -10.535 1.00 0.00 N ATOM 0 H LYS A 69 12.467 -8.115 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 69 14.255 -6.974 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.300 -7.616 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.275 -7.070 -8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.762 -8.985 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.049 -9.464 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.210 -10.946 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.886 -9.928 -8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.486 -9.120 -10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.288 -10.391 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.749 -8.850 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.114 -8.306 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.899 -7.621 -10.931 1.00 0.00 H new ATOM 1054 N TYR A 70 11.996 -4.788 -6.357 1.00 0.00 N ATOM 1055 CA TYR A 70 11.682 -3.361 -6.331 1.00 0.00 C ATOM 1056 C TYR A 70 12.077 -2.714 -5.001 1.00 0.00 C ATOM 1057 O TYR A 70 11.589 -1.636 -4.669 1.00 0.00 O ATOM 1058 CB TYR A 70 10.213 -3.160 -6.704 1.00 0.00 C ATOM 1059 CG TYR A 70 9.970 -3.447 -8.171 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.404 -2.526 -9.142 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.565 -4.733 -8.565 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.427 -2.890 -10.500 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.556 -5.090 -9.924 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.009 -4.174 -10.889 1.00 0.00 C ATOM 1065 OH TYR A 70 10.050 -4.532 -12.201 1.00 0.00 O ATOM 0 H TYR A 70 11.425 -5.349 -5.725 1.00 0.00 H new ATOM 0 HA TYR A 70 12.282 -2.841 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.589 -3.815 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.916 -2.136 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.720 -1.537 -8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.259 -5.452 -7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.766 -2.183 -11.243 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.202 -6.065 -10.226 1.00 0.00 H new ATOM 0 HH TYR A 70 9.173 -4.873 -12.475 1.00 0.00 H new ATOM 1075 N GLY A 71 12.985 -3.348 -4.256 1.00 0.00 N ATOM 1076 CA GLY A 71 13.510 -2.835 -3.002 1.00 0.00 C ATOM 1077 C GLY A 71 12.424 -2.413 -2.015 1.00 0.00 C ATOM 1078 O GLY A 71 12.573 -1.401 -1.334 1.00 0.00 O ATOM 0 H GLY A 71 13.380 -4.251 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.134 -3.599 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.154 -1.980 -3.209 1.00 0.00 H new ATOM 1082 N ILE A 72 11.338 -3.185 -1.913 1.00 0.00 N ATOM 1083 CA ILE A 72 10.272 -2.895 -0.955 1.00 0.00 C ATOM 1084 C ILE A 72 10.879 -2.768 0.446 1.00 0.00 C ATOM 1085 O ILE A 72 11.627 -3.643 0.883 1.00 0.00 O ATOM 1086 CB ILE A 72 9.171 -3.971 -1.037 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.123 -3.646 -2.116 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.411 -4.159 0.286 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.703 -3.307 -3.491 1.00 0.00 C ATOM 0 H ILE A 72 11.176 -4.015 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 72 9.793 -1.946 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 72 9.708 -4.887 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.452 -4.499 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.519 -2.805 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.650 -4.930 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.109 -4.460 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.934 -3.220 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.891 -3.092 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.350 -2.434 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.282 -4.153 -3.860 1.00 0.00 H new ATOM 1101 N ARG A 73 10.569 -1.658 1.119 1.00 0.00 N ATOM 1102 CA ARG A 73 11.060 -1.330 2.448 1.00 0.00 C ATOM 1103 C ARG A 73 10.073 -1.816 3.508 1.00 0.00 C ATOM 1104 O ARG A 73 10.456 -2.499 4.456 1.00 0.00 O ATOM 1105 CB ARG A 73 11.285 0.185 2.549 1.00 0.00 C ATOM 1106 CG ARG A 73 12.275 0.786 1.537 1.00 0.00 C ATOM 1107 CD ARG A 73 13.712 0.263 1.678 1.00 0.00 C ATOM 1108 NE ARG A 73 13.822 -1.099 1.146 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.620 -2.064 1.616 1.00 0.00 C ATOM 1110 NH1 ARG A 73 15.686 -1.760 2.364 1.00 0.00 N ATOM 1111 NH2 ARG A 73 14.326 -3.338 1.342 1.00 0.00 N ATOM 0 H ARG A 73 9.949 -0.944 0.737 1.00 0.00 H new ATOM 0 HA ARG A 73 12.011 -1.834 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.324 0.684 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.639 0.414 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.920 0.574 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.282 1.870 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.398 0.923 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.007 0.274 2.727 1.00 0.00 H new ATOM 0 HE ARG A 73 13.236 -1.332 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.896 -0.786 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.289 -2.503 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.504 -3.563 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.924 -4.086 1.693 1.00 0.00 H new ATOM 1125 N GLY A 74 8.796 -1.469 3.346 1.00 0.00 N ATOM 1126 CA GLY A 74 7.727 -1.856 4.247 1.00 0.00 C ATOM 1127 C GLY A 74 6.420 -1.736 3.480 1.00 0.00 C ATOM 1128 O GLY A 74 6.306 -0.871 2.611 1.00 0.00 O ATOM 0 H GLY A 74 8.476 -0.898 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.873 -2.877 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.716 -1.214 5.127 1.00 0.00 H new ATOM 1132 N ILE A 75 5.455 -2.607 3.773 1.00 0.00 N ATOM 1133 CA ILE A 75 4.159 -2.632 3.108 1.00 0.00 C ATOM 1134 C ILE A 75 3.128 -1.842 3.929 1.00 0.00 C ATOM 1135 O ILE A 75 3.236 -1.814 5.155 1.00 0.00 O ATOM 1136 CB ILE A 75 3.722 -4.087 2.850 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.885 -4.973 4.095 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.523 -4.677 1.680 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.128 -6.289 3.939 1.00 0.00 C ATOM 0 H ILE A 75 5.556 -3.325 4.491 1.00 0.00 H new ATOM 0 HA ILE A 75 4.236 -2.145 2.136 1.00 0.00 H new ATOM 0 HB ILE A 75 2.661 -4.068 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.942 -5.177 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.519 -4.442 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.207 -5.706 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.345 -4.085 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.586 -4.660 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.262 -6.894 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.067 -6.084 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.513 -6.830 3.075 1.00 0.00 H new ATOM 1151 N PRO A 76 2.125 -1.198 3.302 1.00 0.00 N ATOM 1152 CA PRO A 76 1.896 -1.126 1.866 1.00 0.00 C ATOM 1153 C PRO A 76 2.979 -0.282 1.186 1.00 0.00 C ATOM 1154 O PRO A 76 3.402 0.733 1.739 1.00 0.00 O ATOM 1155 CB PRO A 76 0.524 -0.461 1.697 1.00 0.00 C ATOM 1156 CG PRO A 76 0.377 0.380 2.963 1.00 0.00 C ATOM 1157 CD PRO A 76 1.099 -0.459 4.016 1.00 0.00 C ATOM 0 HA PRO A 76 1.928 -2.115 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.485 0.155 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.272 -1.200 1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.832 1.364 2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.670 0.540 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.539 0.175 4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.407 -1.136 4.517 1.00 0.00 H new ATOM 1165 N THR A 77 3.425 -0.706 0.000 1.00 0.00 N ATOM 1166 CA THR A 77 4.439 0.010 -0.768 1.00 0.00 C ATOM 1167 C THR A 77 3.822 0.377 -2.111 1.00 0.00 C ATOM 1168 O THR A 77 3.447 -0.519 -2.864 1.00 0.00 O ATOM 1169 CB THR A 77 5.698 -0.845 -0.987 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.888 -1.755 0.075 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.929 0.060 -1.089 1.00 0.00 C ATOM 0 H THR A 77 3.091 -1.557 -0.452 1.00 0.00 H new ATOM 0 HA THR A 77 4.749 0.899 -0.218 1.00 0.00 H new ATOM 0 HB THR A 77 5.564 -1.406 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.865 -1.272 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.818 -0.551 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.809 0.745 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.038 0.631 -0.167 1.00 0.00 H new ATOM 1179 N LEU A 78 3.722 1.668 -2.419 1.00 0.00 N ATOM 1180 CA LEU A 78 3.167 2.136 -3.676 1.00 0.00 C ATOM 1181 C LEU A 78 4.327 2.410 -4.627 1.00 0.00 C ATOM 1182 O LEU A 78 5.241 3.152 -4.273 1.00 0.00 O ATOM 1183 CB LEU A 78 2.318 3.402 -3.475 1.00 0.00 C ATOM 1184 CG LEU A 78 1.411 3.387 -2.237 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.582 4.673 -2.181 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.461 2.184 -2.234 1.00 0.00 C ATOM 0 H LEU A 78 4.026 2.418 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 78 2.507 1.375 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.985 4.261 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.698 3.549 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 78 2.059 3.313 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.059 4.655 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.249 5.534 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.035 4.748 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.162 2.214 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.174 2.219 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.042 1.262 -2.241 1.00 0.00 H new ATOM 1198 N LEU A 79 4.301 1.829 -5.822 1.00 0.00 N ATOM 1199 CA LEU A 79 5.274 2.046 -6.881 1.00 0.00 C ATOM 1200 C LEU A 79 4.442 2.572 -8.047 1.00 0.00 C ATOM 1201 O LEU A 79 3.628 1.833 -8.601 1.00 0.00 O ATOM 1202 CB LEU A 79 5.955 0.731 -7.291 1.00 0.00 C ATOM 1203 CG LEU A 79 7.080 0.164 -6.405 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.376 0.963 -6.555 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.703 0.037 -4.928 1.00 0.00 C ATOM 0 H LEU A 79 3.571 1.168 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 79 6.067 2.725 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.180 -0.031 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.363 0.870 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 79 7.243 -0.849 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.145 0.532 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.707 0.928 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.200 1.999 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.547 -0.369 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.446 1.020 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.847 -0.630 -4.827 1.00 0.00 H new ATOM 1217 N LEU A 80 4.616 3.840 -8.411 1.00 0.00 N ATOM 1218 CA LEU A 80 3.871 4.446 -9.497 1.00 0.00 C ATOM 1219 C LEU A 80 4.700 4.303 -10.765 1.00 0.00 C ATOM 1220 O LEU A 80 5.630 5.073 -11.001 1.00 0.00 O ATOM 1221 CB LEU A 80 3.543 5.892 -9.133 1.00 0.00 C ATOM 1222 CG LEU A 80 2.752 6.656 -10.210 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.746 5.812 -11.005 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.955 7.738 -9.488 1.00 0.00 C ATOM 0 H LEU A 80 5.278 4.471 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 80 2.915 3.953 -9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.970 5.899 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.474 6.424 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 80 3.482 7.026 -10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.241 6.442 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.272 5.008 -11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.009 5.386 -10.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.376 8.309 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.280 7.274 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.639 8.406 -8.965 1.00 0.00 H new ATOM 1236 N PHE A 81 4.354 3.305 -11.572 1.00 0.00 N ATOM 1237 CA PHE A 81 5.011 2.996 -12.825 1.00 0.00 C ATOM 1238 C PHE A 81 4.425 3.856 -13.937 1.00 0.00 C ATOM 1239 O PHE A 81 3.217 4.067 -13.963 1.00 0.00 O ATOM 1240 CB PHE A 81 4.795 1.515 -13.149 1.00 0.00 C ATOM 1241 CG PHE A 81 5.687 0.594 -12.348 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.284 0.125 -11.087 1.00 0.00 C ATOM 1243 CD2 PHE A 81 6.937 0.220 -12.866 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.108 -0.762 -10.374 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.777 -0.641 -12.141 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.372 -1.104 -10.879 1.00 0.00 C ATOM 0 H PHE A 81 3.583 2.672 -11.360 1.00 0.00 H new ATOM 0 HA PHE A 81 6.078 3.202 -12.742 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.753 1.256 -12.960 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.976 1.352 -14.211 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.342 0.446 -10.666 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.254 0.596 -13.827 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.769 -1.180 -9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.728 -0.945 -12.552 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.035 -1.725 -10.295 1.00 0.00 H new ATOM 1256 N LYS A 82 5.264 4.316 -14.863 1.00 0.00 N ATOM 1257 CA LYS A 82 4.873 5.072 -16.039 1.00 0.00 C ATOM 1258 C LYS A 82 5.717 4.505 -17.176 1.00 0.00 C ATOM 1259 O LYS A 82 6.888 4.854 -17.301 1.00 0.00 O ATOM 1260 CB LYS A 82 5.087 6.578 -15.833 1.00 0.00 C ATOM 1261 CG LYS A 82 4.101 7.140 -14.797 1.00 0.00 C ATOM 1262 CD LYS A 82 4.194 8.670 -14.659 1.00 0.00 C ATOM 1263 CE LYS A 82 3.156 9.421 -15.505 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.296 9.143 -16.945 1.00 0.00 N ATOM 0 H LYS A 82 6.271 4.164 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 82 3.810 4.974 -16.259 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.110 6.761 -15.503 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.959 7.100 -16.781 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.085 6.866 -15.082 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.296 6.679 -13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.064 8.942 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.193 8.994 -14.951 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.154 9.140 -15.179 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.258 10.493 -15.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.630 9.737 -17.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.268 9.356 -17.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.089 8.140 -17.127 1.00 0.00 H new ATOM 1278 N ASN A 83 5.141 3.589 -17.964 1.00 0.00 N ATOM 1279 CA ASN A 83 5.848 2.898 -19.041 1.00 0.00 C ATOM 1280 C ASN A 83 7.105 2.209 -18.496 1.00 0.00 C ATOM 1281 O ASN A 83 8.232 2.633 -18.756 1.00 0.00 O ATOM 1282 CB ASN A 83 6.144 3.841 -20.220 1.00 0.00 C ATOM 1283 CG ASN A 83 6.687 3.096 -21.445 1.00 0.00 C ATOM 1284 OD1 ASN A 83 5.979 2.886 -22.422 1.00 0.00 O ATOM 1285 ND2 ASN A 83 7.946 2.673 -21.416 1.00 0.00 N ATOM 0 H ASN A 83 4.165 3.307 -17.869 1.00 0.00 H new ATOM 0 HA ASN A 83 5.200 2.118 -19.440 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.232 4.370 -20.495 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.867 4.594 -19.906 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.333 2.167 -22.213 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.526 2.854 -20.597 1.00 0.00 H new ATOM 1292 N GLY A 84 6.918 1.132 -17.731 1.00 0.00 N ATOM 1293 CA GLY A 84 8.010 0.325 -17.198 1.00 0.00 C ATOM 1294 C GLY A 84 8.852 0.973 -16.095 1.00 0.00 C ATOM 1295 O GLY A 84 9.262 0.279 -15.168 1.00 0.00 O ATOM 0 H GLY A 84 5.994 0.794 -17.463 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.592 -0.604 -16.809 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.672 0.057 -18.022 1.00 0.00 H new ATOM 1299 N GLU A 85 9.128 2.277 -16.169 1.00 0.00 N ATOM 1300 CA GLU A 85 9.943 2.965 -15.186 1.00 0.00 C ATOM 1301 C GLU A 85 9.087 3.436 -14.018 1.00 0.00 C ATOM 1302 O GLU A 85 7.939 3.835 -14.198 1.00 0.00 O ATOM 1303 CB GLU A 85 10.647 4.163 -15.833 1.00 0.00 C ATOM 1304 CG GLU A 85 11.526 3.748 -17.019 1.00 0.00 C ATOM 1305 CD GLU A 85 12.573 2.705 -16.641 1.00 0.00 C ATOM 1306 OE1 GLU A 85 13.362 3.005 -15.718 1.00 0.00 O ATOM 1307 OE2 GLU A 85 12.559 1.626 -17.269 1.00 0.00 O ATOM 0 H GLU A 85 8.788 2.880 -16.918 1.00 0.00 H new ATOM 0 HA GLU A 85 10.693 2.269 -14.810 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.900 4.882 -16.170 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.261 4.668 -15.087 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.894 3.350 -17.813 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.026 4.629 -17.421 1.00 0.00 H new ATOM 1314 N VAL A 86 9.679 3.422 -12.826 1.00 0.00 N ATOM 1315 CA VAL A 86 9.049 3.921 -11.613 1.00 0.00 C ATOM 1316 C VAL A 86 9.174 5.448 -11.645 1.00 0.00 C ATOM 1317 O VAL A 86 10.282 5.973 -11.589 1.00 0.00 O ATOM 1318 CB VAL A 86 9.720 3.315 -10.366 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.131 3.905 -9.077 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.523 1.793 -10.318 1.00 0.00 C ATOM 0 H VAL A 86 10.620 3.059 -12.677 1.00 0.00 H new ATOM 0 HA VAL A 86 7.999 3.634 -11.563 1.00 0.00 H new ATOM 0 HB VAL A 86 10.781 3.554 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.624 3.458 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.287 4.984 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.063 3.693 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.007 1.391 -9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.458 1.565 -10.286 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.965 1.341 -11.206 1.00 0.00 H new ATOM 1330 N ALA A 87 8.048 6.157 -11.730 1.00 0.00 N ATOM 1331 CA ALA A 87 8.018 7.613 -11.746 1.00 0.00 C ATOM 1332 C ALA A 87 8.176 8.140 -10.323 1.00 0.00 C ATOM 1333 O ALA A 87 8.914 9.093 -10.084 1.00 0.00 O ATOM 1334 CB ALA A 87 6.697 8.090 -12.352 1.00 0.00 C ATOM 0 H ALA A 87 7.124 5.729 -11.790 1.00 0.00 H new ATOM 0 HA ALA A 87 8.839 7.993 -12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.675 9.180 -12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.607 7.714 -13.371 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.866 7.717 -11.753 1.00 0.00 H new ATOM 1340 N ALA A 88 7.494 7.499 -9.371 1.00 0.00 N ATOM 1341 CA ALA A 88 7.559 7.832 -7.961 1.00 0.00 C ATOM 1342 C ALA A 88 7.189 6.589 -7.165 1.00 0.00 C ATOM 1343 O ALA A 88 6.711 5.602 -7.727 1.00 0.00 O ATOM 1344 CB ALA A 88 6.614 8.991 -7.637 1.00 0.00 C ATOM 0 H ALA A 88 6.870 6.718 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 88 8.566 8.154 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.677 9.226 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.899 9.867 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.591 8.707 -7.886 1.00 0.00 H new ATOM 1350 N THR A 89 7.393 6.638 -5.851 1.00 0.00 N ATOM 1351 CA THR A 89 7.079 5.542 -4.958 1.00 0.00 C ATOM 1352 C THR A 89 6.664 6.120 -3.607 1.00 0.00 C ATOM 1353 O THR A 89 6.820 7.322 -3.379 1.00 0.00 O ATOM 1354 CB THR A 89 8.263 4.566 -4.883 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.950 3.458 -4.065 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.547 5.216 -4.360 1.00 0.00 C ATOM 0 H THR A 89 7.786 7.452 -5.378 1.00 0.00 H new ATOM 0 HA THR A 89 6.239 4.955 -5.330 1.00 0.00 H new ATOM 0 HB THR A 89 8.444 4.242 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.014 3.203 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.345 4.474 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.836 6.034 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.376 5.604 -3.356 1.00 0.00 H new ATOM 1364 N LYS A 90 6.112 5.278 -2.736 1.00 0.00 N ATOM 1365 CA LYS A 90 5.613 5.650 -1.429 1.00 0.00 C ATOM 1366 C LYS A 90 5.658 4.417 -0.529 1.00 0.00 C ATOM 1367 O LYS A 90 5.455 3.303 -1.008 1.00 0.00 O ATOM 1368 CB LYS A 90 4.180 6.178 -1.597 1.00 0.00 C ATOM 1369 CG LYS A 90 3.998 7.566 -0.989 1.00 0.00 C ATOM 1370 CD LYS A 90 4.058 7.601 0.544 1.00 0.00 C ATOM 1371 CE LYS A 90 3.076 6.624 1.200 1.00 0.00 C ATOM 1372 NZ LYS A 90 2.979 6.857 2.650 1.00 0.00 N ATOM 0 H LYS A 90 5.999 4.284 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 90 6.219 6.432 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.930 6.213 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.482 5.484 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.769 8.227 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.037 7.967 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.071 7.363 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.842 8.612 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.092 6.734 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.400 5.600 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.005 6.677 2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.629 6.216 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.235 7.843 2.861 1.00 0.00 H new ATOM 1386 N VAL A 91 5.920 4.616 0.763 1.00 0.00 N ATOM 1387 CA VAL A 91 5.996 3.571 1.771 1.00 0.00 C ATOM 1388 C VAL A 91 4.998 3.945 2.869 1.00 0.00 C ATOM 1389 O VAL A 91 5.071 5.054 3.396 1.00 0.00 O ATOM 1390 CB VAL A 91 7.433 3.496 2.323 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.590 2.331 3.307 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.470 3.334 1.202 1.00 0.00 C ATOM 0 H VAL A 91 6.091 5.546 1.145 1.00 0.00 H new ATOM 0 HA VAL A 91 5.752 2.591 1.361 1.00 0.00 H new ATOM 0 HB VAL A 91 7.612 4.440 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.614 2.304 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.904 2.466 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.364 1.393 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.469 3.285 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.269 2.416 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.409 4.186 0.524 1.00 0.00 H new ATOM 1402 N GLY A 92 4.064 3.051 3.202 1.00 0.00 N ATOM 1403 CA GLY A 92 3.057 3.290 4.226 1.00 0.00 C ATOM 1404 C GLY A 92 1.745 3.806 3.632 1.00 0.00 C ATOM 1405 O GLY A 92 1.627 4.011 2.426 1.00 0.00 O ATOM 0 H GLY A 92 3.989 2.134 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.869 2.365 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.438 4.014 4.947 1.00 0.00 H new ATOM 1409 N ALA A 93 0.745 3.995 4.498 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.579 4.464 4.106 1.00 0.00 C ATOM 1411 C ALA A 93 -0.571 5.950 3.732 1.00 0.00 C ATOM 1412 O ALA A 93 0.433 6.638 3.906 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.567 4.179 5.243 1.00 0.00 C ATOM 0 H ALA A 93 0.837 3.824 5.499 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.892 3.925 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.560 4.527 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.600 3.107 5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.245 4.701 6.144 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.710 6.439 3.232 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.934 7.818 2.820 1.00 0.00 C ATOM 1421 C LEU A 94 -3.390 8.175 3.081 1.00 0.00 C ATOM 1422 O LEU A 94 -4.242 7.289 3.140 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.716 7.946 1.303 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.293 8.346 0.921 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.036 7.927 -0.524 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -0.134 9.861 0.982 1.00 0.00 C ATOM 0 H LEU A 94 -2.535 5.854 3.100 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.252 8.467 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.957 6.995 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.411 8.685 0.906 1.00 0.00 H new ATOM 0 HG LEU A 94 0.400 7.865 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.978 8.207 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.153 6.847 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.749 8.427 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.886 10.131 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.833 10.328 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.341 10.208 1.994 1.00 0.00 H new ATOM 1438 N SER A 95 -3.675 9.476 3.142 1.00 0.00 N ATOM 1439 CA SER A 95 -5.025 9.996 3.191 1.00 0.00 C ATOM 1440 C SER A 95 -5.445 10.220 1.735 1.00 0.00 C ATOM 1441 O SER A 95 -4.595 10.422 0.864 1.00 0.00 O ATOM 1442 CB SER A 95 -5.036 11.299 3.993 1.00 0.00 C ATOM 1443 OG SER A 95 -4.089 12.207 3.462 1.00 0.00 O ATOM 0 H SER A 95 -2.958 10.202 3.159 1.00 0.00 H new ATOM 0 HA SER A 95 -5.720 9.315 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.031 11.743 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.807 11.093 5.039 1.00 0.00 H new ATOM 0 HG SER A 95 -4.106 13.038 3.981 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.750 10.182 1.460 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.264 10.367 0.111 1.00 0.00 C ATOM 1451 C LYS A 96 -6.700 11.645 -0.519 1.00 0.00 C ATOM 1452 O LYS A 96 -6.255 11.629 -1.662 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.798 10.348 0.141 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.384 10.313 -1.275 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.908 10.146 -1.210 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.522 10.075 -2.612 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.316 11.322 -3.368 1.00 0.00 N ATOM 0 H LYS A 96 -7.472 10.023 2.163 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.934 9.544 -0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.142 9.478 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.164 11.230 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.133 11.233 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.944 9.491 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.153 9.239 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.344 10.981 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.081 9.242 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.590 9.873 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.846 11.278 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.653 12.129 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.303 11.441 -3.572 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.697 12.750 0.235 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.174 14.027 -0.227 1.00 0.00 C ATOM 1473 C GLY A 97 -4.708 13.918 -0.655 1.00 0.00 C ATOM 1474 O GLY A 97 -4.366 14.225 -1.795 1.00 0.00 O ATOM 0 H GLY A 97 -7.061 12.777 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.772 14.383 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.267 14.767 0.568 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.835 13.469 0.248 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.417 13.332 -0.051 1.00 0.00 C ATOM 1480 C GLN A 98 -2.203 12.402 -1.245 1.00 0.00 C ATOM 1481 O GLN A 98 -1.375 12.685 -2.112 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.680 12.842 1.197 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.677 13.872 2.336 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.661 14.989 2.112 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.451 14.925 2.622 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.017 16.027 1.357 1.00 0.00 N ATOM 0 H GLN A 98 -4.091 13.194 1.196 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.007 14.303 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.145 11.921 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.651 12.598 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.673 14.305 2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.456 13.368 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.948 16.060 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.358 16.789 1.194 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.954 11.303 -1.314 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.852 10.381 -2.431 1.00 0.00 C ATOM 1497 C LEU A 99 -3.243 11.097 -3.732 1.00 0.00 C ATOM 1498 O LEU A 99 -2.488 11.053 -4.698 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.673 9.122 -2.127 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.641 8.040 -3.218 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.225 7.633 -3.645 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.339 6.796 -2.661 1.00 0.00 C ATOM 0 H LEU A 99 -3.638 11.035 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.825 10.046 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.310 8.687 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.709 9.415 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.135 8.453 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.284 6.866 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.699 8.503 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.684 7.240 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.333 6.008 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.813 6.452 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.369 7.042 -2.402 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.383 11.799 -3.751 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.813 12.584 -4.907 1.00 0.00 C ATOM 1516 C LYS A 100 -3.694 13.539 -5.334 1.00 0.00 C ATOM 1517 O LYS A 100 -3.347 13.595 -6.511 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.097 13.369 -4.587 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.344 12.475 -4.486 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.036 12.256 -5.841 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.146 13.276 -6.136 1.00 0.00 C ATOM 1522 NZ LYS A 100 -8.637 14.654 -6.229 1.00 0.00 N ATOM 0 H LYS A 100 -5.031 11.837 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.030 11.902 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.964 13.903 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.258 14.120 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.059 11.509 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.052 12.926 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.289 12.305 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.461 11.252 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.639 13.011 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.901 13.223 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.409 15.291 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.266 14.950 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.876 14.696 -6.937 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.116 14.278 -4.381 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.020 15.205 -4.650 1.00 0.00 C ATOM 1538 C GLU A 101 -0.842 14.473 -5.306 1.00 0.00 C ATOM 1539 O GLU A 101 -0.378 14.873 -6.372 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.593 15.906 -3.355 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.677 16.852 -2.818 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.369 17.283 -1.387 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.476 18.141 -1.233 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.013 16.730 -0.466 1.00 0.00 O ATOM 0 H GLU A 101 -3.398 14.248 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.364 15.967 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.361 15.156 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.678 16.471 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.747 17.731 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.647 16.355 -2.851 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.363 13.397 -4.672 1.00 0.00 N ATOM 1552 CA PHE A 102 0.744 12.580 -5.169 1.00 0.00 C ATOM 1553 C PHE A 102 0.481 12.145 -6.615 1.00 0.00 C ATOM 1554 O PHE A 102 1.321 12.320 -7.500 1.00 0.00 O ATOM 1555 CB PHE A 102 0.928 11.369 -4.239 1.00 0.00 C ATOM 1556 CG PHE A 102 1.935 10.326 -4.700 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.290 10.434 -4.339 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.493 9.189 -5.406 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.191 9.399 -4.654 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.397 8.165 -5.737 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.745 8.264 -5.353 1.00 0.00 C ATOM 0 H PHE A 102 -0.742 13.066 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 102 1.665 13.164 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.233 11.732 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.039 10.882 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.640 11.313 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.455 9.104 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.227 9.477 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.055 7.301 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.436 7.470 -5.594 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.699 11.576 -6.858 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.084 11.108 -8.178 1.00 0.00 C ATOM 1573 C LEU A 103 -1.111 12.263 -9.170 1.00 0.00 C ATOM 1574 O LEU A 103 -0.488 12.174 -10.223 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.438 10.402 -8.106 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.358 9.115 -7.280 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.772 8.593 -7.045 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.471 8.062 -7.945 1.00 0.00 C ATOM 0 H LEU A 103 -1.411 11.429 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.344 10.390 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.176 11.073 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.781 10.168 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.891 9.338 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.728 7.676 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.352 9.342 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.248 8.387 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.443 7.166 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.876 7.812 -8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.461 8.456 -8.059 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.806 13.351 -8.837 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.888 14.529 -9.688 1.00 0.00 C ATOM 1592 C ASP A 104 -0.487 15.006 -10.075 1.00 0.00 C ATOM 1593 O ASP A 104 -0.213 15.226 -11.251 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.673 15.636 -8.978 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.773 16.878 -9.855 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.650 16.871 -10.744 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.968 17.805 -9.621 1.00 0.00 O ATOM 0 H ASP A 104 -2.328 13.436 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.418 14.269 -10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.673 15.278 -8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.184 15.888 -8.037 1.00 0.00 H new ATOM 1602 N ALA A 105 0.401 15.137 -9.086 1.00 0.00 N ATOM 1603 CA ALA A 105 1.778 15.560 -9.299 1.00 0.00 C ATOM 1604 C ALA A 105 2.510 14.643 -10.286 1.00 0.00 C ATOM 1605 O ALA A 105 3.326 15.116 -11.072 1.00 0.00 O ATOM 1606 CB ALA A 105 2.512 15.621 -7.957 1.00 0.00 C ATOM 0 H ALA A 105 0.178 14.950 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 105 1.765 16.555 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.542 15.938 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.012 16.334 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.505 14.635 -7.493 1.00 0.00 H new ATOM 1612 N ASN A 106 2.223 13.337 -10.254 1.00 0.00 N ATOM 1613 CA ASN A 106 2.872 12.377 -11.144 1.00 0.00 C ATOM 1614 C ASN A 106 2.253 12.419 -12.540 1.00 0.00 C ATOM 1615 O ASN A 106 2.971 12.394 -13.536 1.00 0.00 O ATOM 1616 CB ASN A 106 2.750 10.955 -10.581 1.00 0.00 C ATOM 1617 CG ASN A 106 3.854 10.633 -9.586 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.850 10.019 -9.952 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.685 11.017 -8.325 1.00 0.00 N ATOM 0 H ASN A 106 1.542 12.923 -9.617 1.00 0.00 H new ATOM 0 HA ASN A 106 3.924 12.652 -11.215 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.781 10.841 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.782 10.238 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.397 10.802 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.843 11.527 -8.055 1.00 0.00 H new ATOM 1626 N LEU A 107 0.924 12.456 -12.621 1.00 0.00 N ATOM 1627 CA LEU A 107 0.199 12.479 -13.880 1.00 0.00 C ATOM 1628 C LEU A 107 0.503 13.772 -14.642 1.00 0.00 C ATOM 1629 O LEU A 107 0.716 13.741 -15.852 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.302 12.323 -13.601 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.674 10.924 -13.072 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.070 10.970 -12.446 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.658 9.868 -14.185 1.00 0.00 C ATOM 0 H LEU A 107 0.317 12.471 -11.801 1.00 0.00 H new ATOM 0 HA LEU A 107 0.520 11.649 -14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.611 13.074 -12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.859 12.519 -14.518 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.929 10.642 -12.328 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.334 9.981 -12.072 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.076 11.683 -11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.796 11.279 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.926 8.897 -13.769 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.376 10.143 -14.957 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.660 9.813 -14.621 1.00 0.00 H new ATOM 1645 N ALA A 108 0.523 14.906 -13.935 1.00 0.00 N ATOM 1646 CA ALA A 108 0.812 16.224 -14.484 1.00 0.00 C ATOM 1647 C ALA A 108 0.088 16.458 -15.812 1.00 0.00 C ATOM 1648 O ALA A 108 -0.725 17.372 -15.930 1.00 0.00 O ATOM 1649 CB ALA A 108 2.326 16.400 -14.634 1.00 0.00 C ATOM 0 H ALA A 108 0.332 14.927 -12.933 1.00 0.00 H new ATOM 0 HA ALA A 108 0.438 16.976 -13.789 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.539 17.387 -15.045 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.802 16.303 -13.658 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.716 15.636 -15.306 1.00 0.00 H new