USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 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 14 THR OG1 : rot 146:sc= 0.524 USER MOD Set 1.2: A 67 GLN : amide:sc= -9.58! C(o=-9.1!,f=-9.2!) USER MOD Single : A 5 THR OG1 : rot 65:sc= -0.413 USER MOD Single : A 6 LYS NZ :NH3+ -126:sc= 1.75 (180deg=-0.285) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0751 USER MOD Single : A 9 TYR OH : rot 113:sc= 0.163 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0735 K(o=-0.073,f=-0.76!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.603 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.798 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.641 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -4.11! (180deg=-4.75!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -4.32! C(o=-4.3!,f=-2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -10.755 -1.323 -18.901 1.00 0.00 N ATOM 44 CA VAL A 4 -10.295 -1.012 -17.518 1.00 0.00 C ATOM 45 C VAL A 4 -9.746 0.415 -17.472 1.00 0.00 C ATOM 46 O VAL A 4 -9.180 0.905 -18.429 1.00 0.00 O ATOM 47 CB VAL A 4 -9.193 -1.995 -17.115 1.00 0.00 C ATOM 48 CG1 VAL A 4 -9.825 -3.301 -16.630 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.299 -2.282 -18.324 1.00 0.00 C ATOM 0 HA VAL A 4 -11.133 -1.101 -16.827 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.595 -1.561 -16.314 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.040 -4.001 -16.343 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.463 -3.099 -15.770 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.423 -3.735 -17.431 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.514 -2.982 -18.038 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.898 -2.716 -19.125 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.848 -1.353 -18.672 1.00 0.00 H new ATOM 59 N THR A 5 -9.909 1.087 -16.365 1.00 0.00 N ATOM 60 CA THR A 5 -9.396 2.482 -16.259 1.00 0.00 C ATOM 61 C THR A 5 -7.984 2.463 -15.672 1.00 0.00 C ATOM 62 O THR A 5 -7.565 1.496 -15.068 1.00 0.00 O ATOM 63 CB THR A 5 -10.317 3.296 -15.346 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.658 2.861 -15.519 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.209 4.780 -15.700 1.00 0.00 C ATOM 0 H THR A 5 -10.375 0.731 -15.530 1.00 0.00 H new ATOM 0 HA THR A 5 -9.372 2.936 -17.249 1.00 0.00 H new ATOM 0 HB THR A 5 -10.019 3.151 -14.307 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.741 1.931 -15.222 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.865 5.358 -15.049 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.180 5.112 -15.565 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.505 4.929 -16.738 1.00 0.00 H new ATOM 73 N LYS A 6 -7.244 3.525 -15.846 1.00 0.00 N ATOM 74 CA LYS A 6 -5.859 3.566 -15.298 1.00 0.00 C ATOM 75 C LYS A 6 -5.782 4.611 -14.184 1.00 0.00 C ATOM 76 O LYS A 6 -6.077 5.772 -14.387 1.00 0.00 O ATOM 77 CB LYS A 6 -4.880 3.936 -16.414 1.00 0.00 C ATOM 78 CG LYS A 6 -4.606 2.708 -17.283 1.00 0.00 C ATOM 79 CD LYS A 6 -3.557 3.054 -18.342 1.00 0.00 C ATOM 80 CE LYS A 6 -3.359 1.859 -19.275 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.595 0.795 -18.565 1.00 0.00 N ATOM 0 H LYS A 6 -7.539 4.365 -16.344 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.598 2.587 -14.896 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.294 4.740 -17.023 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.948 4.307 -15.986 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.254 1.883 -16.664 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.527 2.377 -17.763 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.876 3.926 -18.913 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.613 3.315 -17.863 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.326 1.473 -19.599 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.823 2.169 -20.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.762 0.530 -19.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.286 1.150 -17.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.202 -0.039 -18.432 1.00 0.00 H new ATOM 95 N TYR A 7 -5.386 4.209 -13.007 1.00 0.00 N ATOM 96 CA TYR A 7 -5.290 5.181 -11.881 1.00 0.00 C ATOM 97 C TYR A 7 -3.871 5.749 -11.819 1.00 0.00 C ATOM 98 O TYR A 7 -2.947 5.091 -11.382 1.00 0.00 O ATOM 99 CB TYR A 7 -5.614 4.468 -10.565 1.00 0.00 C ATOM 100 CG TYR A 7 -6.888 5.034 -9.982 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.127 4.501 -10.359 1.00 0.00 C ATOM 102 CD2 TYR A 7 -6.831 6.091 -9.066 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.308 5.025 -9.820 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.012 6.615 -8.526 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.250 6.081 -8.903 1.00 0.00 C ATOM 106 OH TYR A 7 -10.414 6.598 -8.371 1.00 0.00 O ATOM 0 H TYR A 7 -5.125 3.250 -12.777 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.999 5.993 -12.038 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.725 3.398 -10.738 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.792 4.593 -9.860 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.171 3.686 -11.066 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.876 6.503 -8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.263 4.615 -10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.968 7.430 -7.819 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.196 7.325 -7.751 1.00 0.00 H new ATOM 116 N PHE A 8 -3.689 6.966 -12.255 1.00 0.00 N ATOM 117 CA PHE A 8 -2.329 7.573 -12.219 1.00 0.00 C ATOM 118 C PHE A 8 -1.953 7.898 -10.774 1.00 0.00 C ATOM 119 O PHE A 8 -2.756 8.396 -10.009 1.00 0.00 O ATOM 120 CB PHE A 8 -2.323 8.859 -13.050 1.00 0.00 C ATOM 121 CG PHE A 8 -1.634 8.602 -14.369 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.376 8.168 -15.475 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.252 8.798 -14.487 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.737 7.930 -16.697 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.386 8.560 -15.709 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.355 8.127 -16.815 1.00 0.00 C ATOM 0 H PHE A 8 -4.423 7.565 -12.634 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.606 6.869 -12.632 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.344 9.199 -13.221 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.809 9.653 -12.508 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.442 8.017 -15.385 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.321 9.133 -13.635 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.309 7.594 -17.549 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.452 8.711 -15.799 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.138 7.945 -17.758 1.00 0.00 H new ATOM 136 N TYR A 9 -0.737 7.621 -10.390 1.00 0.00 N ATOM 137 CA TYR A 9 -0.310 7.915 -8.994 1.00 0.00 C ATOM 138 C TYR A 9 1.120 8.461 -9.002 1.00 0.00 C ATOM 139 O TYR A 9 2.071 7.732 -9.201 1.00 0.00 O ATOM 140 CB TYR A 9 -0.362 6.630 -8.164 1.00 0.00 C ATOM 141 CG TYR A 9 0.109 6.917 -6.759 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.766 7.496 -5.832 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.421 6.605 -6.382 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.330 7.763 -4.529 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.857 6.871 -5.078 1.00 0.00 C ATOM 146 CZ TYR A 9 0.982 7.449 -4.152 1.00 0.00 C ATOM 147 OH TYR A 9 1.412 7.711 -2.867 1.00 0.00 O ATOM 0 H TYR A 9 -0.021 7.203 -10.984 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.979 8.657 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.379 6.238 -8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.266 5.865 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.778 7.737 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.097 6.159 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.005 8.211 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.869 6.630 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 9 1.590 6.866 -2.403 1.00 0.00 H new ATOM 157 N LYS A 10 1.278 9.738 -8.786 1.00 0.00 N ATOM 158 CA LYS A 10 2.645 10.329 -8.782 1.00 0.00 C ATOM 159 C LYS A 10 3.353 9.972 -7.474 1.00 0.00 C ATOM 160 O LYS A 10 2.955 10.395 -6.407 1.00 0.00 O ATOM 161 CB LYS A 10 2.543 11.850 -8.908 1.00 0.00 C ATOM 162 CG LYS A 10 3.947 12.456 -8.957 1.00 0.00 C ATOM 163 CD LYS A 10 3.846 13.982 -8.983 1.00 0.00 C ATOM 164 CE LYS A 10 3.264 14.433 -10.324 1.00 0.00 C ATOM 165 NZ LYS A 10 4.102 15.529 -10.886 1.00 0.00 N ATOM 0 H LYS A 10 0.519 10.397 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 10 3.214 9.932 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.990 12.114 -9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.989 12.259 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.523 12.134 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.477 12.101 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.214 14.329 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.831 14.425 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.231 13.594 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.238 14.777 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.707 15.836 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.112 16.332 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.073 15.185 -11.028 1.00 0.00 H new ATOM 179 N GLY A 11 4.399 9.197 -7.546 1.00 0.00 N ATOM 180 CA GLY A 11 5.131 8.814 -6.305 1.00 0.00 C ATOM 181 C GLY A 11 5.969 9.998 -5.821 1.00 0.00 C ATOM 182 O GLY A 11 6.106 10.994 -6.504 1.00 0.00 O ATOM 0 H GLY A 11 4.779 8.812 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.424 8.514 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.774 7.955 -6.499 1.00 0.00 H new ATOM 186 N GLU A 12 6.532 9.900 -4.649 1.00 0.00 N ATOM 187 CA GLU A 12 7.360 11.022 -4.123 1.00 0.00 C ATOM 188 C GLU A 12 8.319 11.501 -5.215 1.00 0.00 C ATOM 189 O GLU A 12 8.864 12.585 -5.143 1.00 0.00 O ATOM 190 CB GLU A 12 8.164 10.540 -2.914 1.00 0.00 C ATOM 191 CG GLU A 12 8.627 11.746 -2.096 1.00 0.00 C ATOM 192 CD GLU A 12 10.094 11.565 -1.704 1.00 0.00 C ATOM 193 OE1 GLU A 12 10.876 11.195 -2.565 1.00 0.00 O ATOM 194 OE2 GLU A 12 10.413 11.798 -0.549 1.00 0.00 O ATOM 0 H GLU A 12 6.455 9.091 -4.032 1.00 0.00 H new ATOM 0 HA GLU A 12 6.710 11.844 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.553 9.881 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.025 9.959 -3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.505 12.661 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.011 11.851 -1.203 1.00 0.00 H new ATOM 201 N ASN A 13 8.530 10.703 -6.225 1.00 0.00 N ATOM 202 CA ASN A 13 9.455 11.114 -7.319 1.00 0.00 C ATOM 203 C ASN A 13 9.317 10.145 -8.495 1.00 0.00 C ATOM 204 O ASN A 13 9.384 10.535 -9.643 1.00 0.00 O ATOM 205 CB ASN A 13 10.896 11.089 -6.804 1.00 0.00 C ATOM 206 CG ASN A 13 11.770 11.980 -7.689 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.460 12.201 -8.843 1.00 0.00 O ATOM 208 ND2 ASN A 13 12.857 12.504 -7.193 1.00 0.00 N ATOM 0 H ASN A 13 8.102 9.784 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 13 9.204 12.122 -7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.931 11.438 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.277 10.068 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.447 13.100 -7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.117 12.318 -6.224 1.00 0.00 H new ATOM 215 N THR A 14 9.124 8.885 -8.217 1.00 0.00 N ATOM 216 CA THR A 14 8.982 7.893 -9.321 1.00 0.00 C ATOM 217 C THR A 14 7.509 7.774 -9.714 1.00 0.00 C ATOM 218 O THR A 14 6.671 7.397 -8.918 1.00 0.00 O ATOM 219 CB THR A 14 9.496 6.530 -8.850 1.00 0.00 C ATOM 220 OG1 THR A 14 10.406 6.714 -7.775 1.00 0.00 O ATOM 221 CG2 THR A 14 10.204 5.823 -10.005 1.00 0.00 C ATOM 0 H THR A 14 9.059 8.500 -7.275 1.00 0.00 H new ATOM 0 HA THR A 14 9.562 8.223 -10.183 1.00 0.00 H new ATOM 0 HB THR A 14 8.656 5.921 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.320 5.970 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.569 4.853 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.504 5.681 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.044 6.430 -10.343 1.00 0.00 H new ATOM 229 N ASP A 15 7.184 8.093 -10.937 1.00 0.00 N ATOM 230 CA ASP A 15 5.772 8.001 -11.384 1.00 0.00 C ATOM 231 C ASP A 15 5.323 6.538 -11.362 1.00 0.00 C ATOM 232 O ASP A 15 6.011 5.661 -11.845 1.00 0.00 O ATOM 233 CB ASP A 15 5.672 8.552 -12.805 1.00 0.00 C ATOM 234 CG ASP A 15 7.064 8.958 -13.291 1.00 0.00 C ATOM 235 OD1 ASP A 15 7.751 8.110 -13.840 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.420 10.111 -13.110 1.00 0.00 O ATOM 0 H ASP A 15 7.842 8.415 -11.647 1.00 0.00 H new ATOM 0 HA ASP A 15 5.130 8.578 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.248 7.799 -13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.002 9.411 -12.827 1.00 0.00 H new ATOM 241 N LEU A 16 4.175 6.268 -10.805 1.00 0.00 N ATOM 242 CA LEU A 16 3.684 4.862 -10.753 1.00 0.00 C ATOM 243 C LEU A 16 2.251 4.803 -11.289 1.00 0.00 C ATOM 244 O LEU A 16 1.454 5.690 -11.057 1.00 0.00 O ATOM 245 CB LEU A 16 3.710 4.365 -9.307 1.00 0.00 C ATOM 246 CG LEU A 16 5.125 4.505 -8.744 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.113 4.200 -7.246 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.055 3.520 -9.458 1.00 0.00 C ATOM 0 H LEU A 16 3.555 6.960 -10.384 1.00 0.00 H new ATOM 0 HA LEU A 16 4.327 4.229 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.008 4.939 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.391 3.323 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 16 5.480 5.523 -8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.122 4.300 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.450 4.900 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.758 3.182 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.064 3.618 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.699 2.502 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.065 3.738 -10.526 1.00 0.00 H new ATOM 260 N ILE A 17 1.918 3.761 -12.003 1.00 0.00 N ATOM 261 CA ILE A 17 0.538 3.646 -12.552 1.00 0.00 C ATOM 262 C ILE A 17 -0.049 2.284 -12.176 1.00 0.00 C ATOM 263 O ILE A 17 0.641 1.283 -12.163 1.00 0.00 O ATOM 264 CB ILE A 17 0.582 3.780 -14.075 1.00 0.00 C ATOM 265 CG1 ILE A 17 0.959 5.216 -14.449 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.791 3.446 -14.658 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.706 5.217 -15.784 1.00 0.00 C ATOM 0 H ILE A 17 2.542 2.986 -12.229 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.085 4.437 -12.136 1.00 0.00 H new ATOM 0 HB ILE A 17 1.324 3.091 -14.478 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.062 5.831 -14.522 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.584 5.654 -13.670 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.759 3.542 -15.743 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.060 2.424 -14.392 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.534 4.134 -14.255 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.974 6.239 -16.050 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.611 4.616 -15.695 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.066 4.796 -16.559 1.00 0.00 H new ATOM 279 N VAL A 18 -1.316 2.237 -11.870 1.00 0.00 N ATOM 280 CA VAL A 18 -1.945 0.939 -11.497 1.00 0.00 C ATOM 281 C VAL A 18 -3.131 0.661 -12.423 1.00 0.00 C ATOM 282 O VAL A 18 -3.492 1.479 -13.245 1.00 0.00 O ATOM 283 CB VAL A 18 -2.434 1.007 -10.049 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.232 1.003 -9.103 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.238 2.293 -9.843 1.00 0.00 C ATOM 0 H VAL A 18 -1.943 3.041 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.212 0.139 -11.596 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.065 0.144 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.581 1.051 -8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.657 0.089 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.600 1.866 -9.313 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.587 2.343 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.605 3.155 -10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.095 2.298 -10.517 1.00 0.00 H new ATOM 295 N PHE A 19 -3.738 -0.486 -12.297 1.00 0.00 N ATOM 296 CA PHE A 19 -4.899 -0.815 -13.171 1.00 0.00 C ATOM 297 C PHE A 19 -6.193 -0.717 -12.360 1.00 0.00 C ATOM 298 O PHE A 19 -6.179 -0.753 -11.146 1.00 0.00 O ATOM 299 CB PHE A 19 -4.743 -2.237 -13.713 1.00 0.00 C ATOM 300 CG PHE A 19 -4.121 -2.188 -15.088 1.00 0.00 C ATOM 301 CD1 PHE A 19 -4.803 -1.568 -16.142 1.00 0.00 C ATOM 302 CD2 PHE A 19 -2.863 -2.761 -15.307 1.00 0.00 C ATOM 303 CE1 PHE A 19 -4.225 -1.522 -17.417 1.00 0.00 C ATOM 304 CE2 PHE A 19 -2.286 -2.714 -16.583 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.968 -2.095 -17.638 1.00 0.00 C ATOM 0 H PHE A 19 -3.480 -1.210 -11.626 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.938 -0.112 -14.003 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.119 -2.827 -13.041 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.715 -2.728 -13.759 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.774 -1.126 -15.972 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.338 -3.239 -14.493 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.750 -1.044 -18.230 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.315 -3.155 -16.753 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.524 -2.060 -18.622 1.00 0.00 H new ATOM 315 N ALA A 20 -7.311 -0.593 -13.021 1.00 0.00 N ATOM 316 CA ALA A 20 -8.604 -0.493 -12.287 1.00 0.00 C ATOM 317 C ALA A 20 -9.758 -0.818 -13.238 1.00 0.00 C ATOM 318 O ALA A 20 -9.596 -0.832 -14.442 1.00 0.00 O ATOM 319 CB ALA A 20 -8.774 0.927 -11.746 1.00 0.00 C ATOM 0 H ALA A 20 -7.385 -0.557 -14.038 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.607 -1.201 -11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.720 1.001 -11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.953 1.159 -11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.771 1.635 -12.575 1.00 0.00 H new ATOM 325 N ALA A 21 -10.920 -1.080 -12.708 1.00 0.00 N ATOM 326 CA ALA A 21 -12.082 -1.405 -13.583 1.00 0.00 C ATOM 327 C ALA A 21 -12.716 -0.107 -14.090 1.00 0.00 C ATOM 328 O ALA A 21 -12.526 0.286 -15.224 1.00 0.00 O ATOM 329 CB ALA A 21 -13.117 -2.198 -12.783 1.00 0.00 C ATOM 0 H ALA A 21 -11.116 -1.083 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.743 -2.001 -14.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.967 -2.436 -13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.666 -3.122 -12.420 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.456 -1.602 -11.936 1.00 0.00 H new ATOM 335 N SER A 22 -13.468 0.561 -13.259 1.00 0.00 N ATOM 336 CA SER A 22 -14.113 1.831 -13.696 1.00 0.00 C ATOM 337 C SER A 22 -14.143 2.817 -12.525 1.00 0.00 C ATOM 338 O SER A 22 -14.174 2.428 -11.374 1.00 0.00 O ATOM 339 CB SER A 22 -15.542 1.544 -14.159 1.00 0.00 C ATOM 340 OG SER A 22 -15.752 0.139 -14.191 1.00 0.00 O ATOM 0 H SER A 22 -13.663 0.283 -12.297 1.00 0.00 H new ATOM 0 HA SER A 22 -13.545 2.263 -14.520 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.257 2.015 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.709 1.971 -15.148 1.00 0.00 H new ATOM 0 HG SER A 22 -16.668 -0.048 -14.486 1.00 0.00 H new ATOM 346 N GLU A 23 -14.133 4.090 -12.810 1.00 0.00 N ATOM 347 CA GLU A 23 -14.161 5.099 -11.714 1.00 0.00 C ATOM 348 C GLU A 23 -15.448 4.934 -10.903 1.00 0.00 C ATOM 349 O GLU A 23 -15.453 5.068 -9.695 1.00 0.00 O ATOM 350 CB GLU A 23 -14.109 6.506 -12.315 1.00 0.00 C ATOM 351 CG GLU A 23 -12.860 7.233 -11.813 1.00 0.00 C ATOM 352 CD GLU A 23 -12.816 8.643 -12.408 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.079 8.773 -13.592 1.00 0.00 O ATOM 354 OE2 GLU A 23 -12.519 9.567 -11.669 1.00 0.00 O ATOM 0 H GLU A 23 -14.107 4.475 -13.754 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.301 4.953 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.095 6.447 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.003 7.064 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.870 7.286 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.965 6.679 -12.097 1.00 0.00 H new ATOM 361 N GLU A 24 -16.540 4.645 -11.556 1.00 0.00 N ATOM 362 CA GLU A 24 -17.824 4.473 -10.822 1.00 0.00 C ATOM 363 C GLU A 24 -17.622 3.496 -9.662 1.00 0.00 C ATOM 364 O GLU A 24 -17.799 3.840 -8.509 1.00 0.00 O ATOM 365 CB GLU A 24 -18.887 3.920 -11.774 1.00 0.00 C ATOM 366 CG GLU A 24 -20.279 4.277 -11.248 1.00 0.00 C ATOM 367 CD GLU A 24 -21.251 3.138 -11.563 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.115 2.544 -12.620 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.116 2.879 -10.742 1.00 0.00 O ATOM 0 H GLU A 24 -16.598 4.521 -12.567 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.151 5.437 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -18.747 4.334 -12.773 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.786 2.838 -11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.240 4.449 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.626 5.203 -11.706 1.00 0.00 H new ATOM 376 N LEU A 25 -17.253 2.279 -9.955 1.00 0.00 N ATOM 377 CA LEU A 25 -17.040 1.282 -8.868 1.00 0.00 C ATOM 378 C LEU A 25 -15.968 1.799 -7.905 1.00 0.00 C ATOM 379 O LEU A 25 -16.231 2.043 -6.744 1.00 0.00 O ATOM 380 CB LEU A 25 -16.582 -0.045 -9.476 1.00 0.00 C ATOM 381 CG LEU A 25 -17.629 -0.536 -10.478 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.942 -1.344 -11.580 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.648 -1.422 -9.758 1.00 0.00 C ATOM 0 H LEU A 25 -17.090 1.932 -10.900 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.973 1.130 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.620 0.083 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.439 -0.787 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.138 0.321 -10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.688 -1.694 -12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.215 -0.714 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.432 -2.201 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.394 -1.772 -10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.138 -2.278 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.139 -0.848 -8.972 1.00 0.00 H new ATOM 395 N VAL A 26 -14.763 1.967 -8.377 1.00 0.00 N ATOM 396 CA VAL A 26 -13.677 2.467 -7.486 1.00 0.00 C ATOM 397 C VAL A 26 -14.256 3.479 -6.496 1.00 0.00 C ATOM 398 O VAL A 26 -13.837 3.557 -5.358 1.00 0.00 O ATOM 399 CB VAL A 26 -12.595 3.141 -8.330 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.517 3.718 -7.411 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.964 2.110 -9.269 1.00 0.00 C ATOM 0 H VAL A 26 -14.483 1.780 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.242 1.631 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.041 3.944 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.745 4.199 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.965 4.452 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.072 2.915 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.193 2.590 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.519 1.307 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.731 1.697 -9.924 1.00 0.00 H new ATOM 411 N ASP A 27 -15.217 4.253 -6.919 1.00 0.00 N ATOM 412 CA ASP A 27 -15.822 5.258 -6.001 1.00 0.00 C ATOM 413 C ASP A 27 -16.783 4.554 -5.040 1.00 0.00 C ATOM 414 O ASP A 27 -16.910 4.927 -3.890 1.00 0.00 O ATOM 415 CB ASP A 27 -16.589 6.299 -6.817 1.00 0.00 C ATOM 416 CG ASP A 27 -16.656 7.614 -6.037 1.00 0.00 C ATOM 417 OD1 ASP A 27 -15.997 7.706 -5.014 1.00 0.00 O ATOM 418 OD2 ASP A 27 -17.366 8.505 -6.474 1.00 0.00 O ATOM 0 H ASP A 27 -15.609 4.233 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.034 5.752 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.097 6.458 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.596 5.939 -7.030 1.00 0.00 H new ATOM 423 N GLU A 28 -17.460 3.539 -5.501 1.00 0.00 N ATOM 424 CA GLU A 28 -18.410 2.811 -4.613 1.00 0.00 C ATOM 425 C GLU A 28 -17.632 2.133 -3.483 1.00 0.00 C ATOM 426 O GLU A 28 -18.143 1.927 -2.400 1.00 0.00 O ATOM 427 CB GLU A 28 -19.167 1.756 -5.428 1.00 0.00 C ATOM 428 CG GLU A 28 -18.403 0.430 -5.399 1.00 0.00 C ATOM 429 CD GLU A 28 -18.844 -0.440 -6.577 1.00 0.00 C ATOM 430 OE1 GLU A 28 -19.947 -0.235 -7.058 1.00 0.00 O ATOM 431 OE2 GLU A 28 -18.074 -1.297 -6.977 1.00 0.00 O ATOM 0 H GLU A 28 -17.397 3.182 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 28 -19.124 3.515 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -20.168 1.618 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.286 2.095 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.330 0.615 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -18.591 -0.089 -4.459 1.00 0.00 H new ATOM 438 N TYR A 29 -16.398 1.787 -3.726 1.00 0.00 N ATOM 439 CA TYR A 29 -15.586 1.124 -2.667 1.00 0.00 C ATOM 440 C TYR A 29 -15.169 2.161 -1.622 1.00 0.00 C ATOM 441 O TYR A 29 -15.344 1.965 -0.436 1.00 0.00 O ATOM 442 CB TYR A 29 -14.337 0.503 -3.296 1.00 0.00 C ATOM 443 CG TYR A 29 -13.361 0.123 -2.209 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.626 -0.974 -1.381 1.00 0.00 C ATOM 445 CD2 TYR A 29 -12.190 0.870 -2.028 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.720 -1.326 -0.373 1.00 0.00 C ATOM 447 CE2 TYR A 29 -11.285 0.518 -1.019 1.00 0.00 C ATOM 448 CZ TYR A 29 -11.549 -0.580 -0.193 1.00 0.00 C ATOM 449 OH TYR A 29 -10.656 -0.927 0.801 1.00 0.00 O ATOM 0 H TYR A 29 -15.916 1.935 -4.613 1.00 0.00 H new ATOM 0 HA TYR A 29 -16.178 0.344 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.610 -0.377 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.874 1.210 -3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -14.530 -1.549 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.985 1.717 -2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.924 -2.173 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.383 1.094 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.897 -0.308 0.789 1.00 0.00 H new ATOM 459 N LEU A 30 -14.621 3.263 -2.052 1.00 0.00 N ATOM 460 CA LEU A 30 -14.195 4.311 -1.082 1.00 0.00 C ATOM 461 C LEU A 30 -15.314 4.549 -0.067 1.00 0.00 C ATOM 462 O LEU A 30 -15.081 5.012 1.032 1.00 0.00 O ATOM 463 CB LEU A 30 -13.902 5.613 -1.832 1.00 0.00 C ATOM 464 CG LEU A 30 -12.795 5.372 -2.860 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.635 6.615 -3.737 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.479 5.088 -2.134 1.00 0.00 C ATOM 0 H LEU A 30 -14.450 3.484 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.295 3.981 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.804 5.969 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.598 6.389 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.058 4.518 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.846 6.444 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.573 6.819 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.372 7.469 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.690 4.916 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.216 5.942 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.592 4.203 -1.508 1.00 0.00 H new ATOM 478 N LYS A 31 -16.529 4.235 -0.426 1.00 0.00 N ATOM 479 CA LYS A 31 -17.663 4.442 0.519 1.00 0.00 C ATOM 480 C LYS A 31 -17.616 3.374 1.613 1.00 0.00 C ATOM 481 O LYS A 31 -17.770 3.663 2.783 1.00 0.00 O ATOM 482 CB LYS A 31 -18.986 4.336 -0.242 1.00 0.00 C ATOM 483 CG LYS A 31 -20.061 5.142 0.487 1.00 0.00 C ATOM 484 CD LYS A 31 -20.317 6.451 -0.265 1.00 0.00 C ATOM 485 CE LYS A 31 -21.250 7.339 0.559 1.00 0.00 C ATOM 486 NZ LYS A 31 -22.665 7.040 0.199 1.00 0.00 N ATOM 0 H LYS A 31 -16.785 3.844 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.583 5.430 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.864 4.709 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.290 3.292 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.982 4.563 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.742 5.353 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.375 6.967 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.762 6.243 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.090 7.165 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.030 8.390 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.301 7.643 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -22.813 7.227 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.871 6.041 0.400 1.00 0.00 H new ATOM 500 N ASN A 32 -17.406 2.141 1.243 1.00 0.00 N ATOM 501 CA ASN A 32 -17.350 1.055 2.262 1.00 0.00 C ATOM 502 C ASN A 32 -16.019 0.311 2.140 1.00 0.00 C ATOM 503 O ASN A 32 -15.950 -0.769 1.588 1.00 0.00 O ATOM 504 CB ASN A 32 -18.505 0.078 2.029 1.00 0.00 C ATOM 505 CG ASN A 32 -18.576 -0.915 3.190 1.00 0.00 C ATOM 506 OD1 ASN A 32 -18.147 -2.045 3.064 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.103 -0.539 4.323 1.00 0.00 N ATOM 0 H ASN A 32 -17.271 1.838 0.278 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.435 1.486 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.445 0.623 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.361 -0.455 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.155 -1.194 5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.463 0.410 4.428 1.00 0.00 H new ATOM 514 N PRO A 33 -14.971 0.893 2.655 1.00 0.00 N ATOM 515 CA PRO A 33 -13.608 0.288 2.612 1.00 0.00 C ATOM 516 C PRO A 33 -13.615 -1.185 3.032 1.00 0.00 C ATOM 517 O PRO A 33 -14.501 -1.639 3.728 1.00 0.00 O ATOM 518 CB PRO A 33 -12.808 1.125 3.612 1.00 0.00 C ATOM 519 CG PRO A 33 -13.497 2.449 3.661 1.00 0.00 C ATOM 520 CD PRO A 33 -14.972 2.195 3.338 1.00 0.00 C ATOM 0 HA PRO A 33 -13.192 0.298 1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.792 0.654 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.771 1.233 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.390 2.904 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.058 3.140 2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.579 2.170 4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.381 2.979 2.701 1.00 0.00 H new ATOM 528 N SER A 34 -12.633 -1.935 2.612 1.00 0.00 N ATOM 529 CA SER A 34 -12.583 -3.376 2.986 1.00 0.00 C ATOM 530 C SER A 34 -11.627 -4.114 2.046 1.00 0.00 C ATOM 531 O SER A 34 -11.511 -3.787 0.881 1.00 0.00 O ATOM 532 CB SER A 34 -13.982 -3.981 2.868 1.00 0.00 C ATOM 533 OG SER A 34 -13.874 -5.336 2.450 1.00 0.00 O ATOM 0 H SER A 34 -11.863 -1.612 2.026 1.00 0.00 H new ATOM 0 HA SER A 34 -12.230 -3.473 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.497 -3.924 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.577 -3.414 2.152 1.00 0.00 H new ATOM 0 HG SER A 34 -14.769 -5.727 2.375 1.00 0.00 H new ATOM 539 N ILE A 35 -10.942 -5.108 2.542 1.00 0.00 N ATOM 540 CA ILE A 35 -9.995 -5.866 1.677 1.00 0.00 C ATOM 541 C ILE A 35 -10.738 -7.013 0.991 1.00 0.00 C ATOM 542 O ILE A 35 -10.142 -7.976 0.550 1.00 0.00 O ATOM 543 CB ILE A 35 -8.861 -6.431 2.534 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.294 -5.322 3.424 1.00 0.00 C ATOM 545 CG2 ILE A 35 -7.755 -6.970 1.627 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.963 -4.099 2.568 1.00 0.00 C ATOM 0 H ILE A 35 -10.997 -5.428 3.509 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.580 -5.199 0.921 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.245 -7.238 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.017 -5.055 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.398 -5.674 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.947 -7.372 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.158 -7.759 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.371 -6.163 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.559 -3.310 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.225 -4.372 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.869 -3.743 2.077 1.00 0.00 H new ATOM 558 N GLY A 36 -12.037 -6.921 0.899 1.00 0.00 N ATOM 559 CA GLY A 36 -12.816 -8.009 0.242 1.00 0.00 C ATOM 560 C GLY A 36 -13.399 -7.497 -1.076 1.00 0.00 C ATOM 561 O GLY A 36 -13.338 -8.160 -2.092 1.00 0.00 O ATOM 0 H GLY A 36 -12.592 -6.140 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.173 -8.870 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.617 -8.345 0.900 1.00 0.00 H new ATOM 565 N LYS A 37 -13.967 -6.322 -1.067 1.00 0.00 N ATOM 566 CA LYS A 37 -14.555 -5.770 -2.321 1.00 0.00 C ATOM 567 C LYS A 37 -13.430 -5.325 -3.258 1.00 0.00 C ATOM 568 O LYS A 37 -13.654 -5.031 -4.416 1.00 0.00 O ATOM 569 CB LYS A 37 -15.442 -4.569 -1.983 1.00 0.00 C ATOM 570 CG LYS A 37 -15.938 -3.920 -3.277 1.00 0.00 C ATOM 571 CD LYS A 37 -17.405 -3.520 -3.117 1.00 0.00 C ATOM 572 CE LYS A 37 -17.890 -2.836 -4.397 1.00 0.00 C ATOM 573 NZ LYS A 37 -19.236 -2.240 -4.162 1.00 0.00 N ATOM 0 H LYS A 37 -14.049 -5.721 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.154 -6.538 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.289 -4.889 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.882 -3.845 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.334 -3.043 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.828 -4.614 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.013 -4.401 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.519 -2.847 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.185 -2.061 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.937 -3.558 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.723 -2.112 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.795 -2.874 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.130 -1.317 -3.694 1.00 0.00 H new ATOM 587 N LEU A 38 -12.222 -5.272 -2.768 1.00 0.00 N ATOM 588 CA LEU A 38 -11.085 -4.846 -3.632 1.00 0.00 C ATOM 589 C LEU A 38 -10.813 -5.923 -4.685 1.00 0.00 C ATOM 590 O LEU A 38 -10.319 -5.644 -5.759 1.00 0.00 O ATOM 591 CB LEU A 38 -9.836 -4.648 -2.771 1.00 0.00 C ATOM 592 CG LEU A 38 -8.926 -3.606 -3.423 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.280 -2.216 -2.895 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.467 -3.923 -3.085 1.00 0.00 C ATOM 0 H LEU A 38 -11.973 -5.505 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.337 -3.908 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.119 -4.323 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.304 -5.593 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.064 -3.629 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.631 -1.474 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.319 -1.990 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.143 -2.192 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.817 -3.181 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.331 -3.900 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.213 -4.914 -3.461 1.00 0.00 H new ATOM 606 N SER A 39 -11.131 -7.153 -4.385 1.00 0.00 N ATOM 607 CA SER A 39 -10.889 -8.246 -5.368 1.00 0.00 C ATOM 608 C SER A 39 -11.811 -8.059 -6.576 1.00 0.00 C ATOM 609 O SER A 39 -11.583 -8.610 -7.633 1.00 0.00 O ATOM 610 CB SER A 39 -11.179 -9.595 -4.711 1.00 0.00 C ATOM 611 OG SER A 39 -11.065 -10.626 -5.685 1.00 0.00 O ATOM 0 H SER A 39 -11.548 -7.448 -3.502 1.00 0.00 H new ATOM 0 HA SER A 39 -9.850 -8.217 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.480 -9.772 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.180 -9.595 -4.280 1.00 0.00 H new ATOM 0 HG SER A 39 -11.249 -11.493 -5.267 1.00 0.00 H new ATOM 617 N GLU A 40 -12.850 -7.285 -6.425 1.00 0.00 N ATOM 618 CA GLU A 40 -13.786 -7.065 -7.564 1.00 0.00 C ATOM 619 C GLU A 40 -13.312 -5.867 -8.390 1.00 0.00 C ATOM 620 O GLU A 40 -13.348 -5.884 -9.604 1.00 0.00 O ATOM 621 CB GLU A 40 -15.190 -6.788 -7.024 1.00 0.00 C ATOM 622 CG GLU A 40 -16.220 -7.047 -8.125 1.00 0.00 C ATOM 623 CD GLU A 40 -17.606 -7.212 -7.498 1.00 0.00 C ATOM 624 OE1 GLU A 40 -17.862 -8.267 -6.941 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.389 -6.280 -7.587 1.00 0.00 O ATOM 0 H GLU A 40 -13.092 -6.796 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.808 -7.955 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.393 -7.426 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.262 -5.756 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.226 -6.219 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.953 -7.944 -8.684 1.00 0.00 H new ATOM 632 N VAL A 41 -12.869 -4.824 -7.741 1.00 0.00 N ATOM 633 CA VAL A 41 -12.395 -3.627 -8.490 1.00 0.00 C ATOM 634 C VAL A 41 -10.992 -3.890 -9.039 1.00 0.00 C ATOM 635 O VAL A 41 -10.786 -3.963 -10.234 1.00 0.00 O ATOM 636 CB VAL A 41 -12.358 -2.419 -7.552 1.00 0.00 C ATOM 637 CG1 VAL A 41 -12.479 -1.133 -8.370 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.525 -2.506 -6.564 1.00 0.00 C ATOM 0 H VAL A 41 -12.815 -4.750 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.076 -3.424 -9.317 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.416 -2.413 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.453 -0.273 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.650 -1.071 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.421 -1.138 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.500 -1.646 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.467 -2.512 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.440 -3.423 -5.980 1.00 0.00 H new ATOM 648 N VAL A 42 -10.023 -4.032 -8.175 1.00 0.00 N ATOM 649 CA VAL A 42 -8.635 -4.290 -8.649 1.00 0.00 C ATOM 650 C VAL A 42 -8.547 -5.702 -9.231 1.00 0.00 C ATOM 651 O VAL A 42 -8.684 -6.683 -8.528 1.00 0.00 O ATOM 652 CB VAL A 42 -7.664 -4.162 -7.475 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.226 -4.280 -7.985 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.854 -2.801 -6.803 1.00 0.00 C ATOM 0 H VAL A 42 -10.134 -3.980 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.374 -3.564 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.860 -4.956 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.534 -4.189 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.089 -5.249 -8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.029 -3.487 -8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.162 -2.709 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.658 -2.008 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.878 -2.715 -6.439 1.00 0.00 H new ATOM 664 N GLU A 43 -8.319 -5.813 -10.512 1.00 0.00 N ATOM 665 CA GLU A 43 -8.223 -7.161 -11.138 1.00 0.00 C ATOM 666 C GLU A 43 -6.873 -7.791 -10.787 1.00 0.00 C ATOM 667 O GLU A 43 -6.806 -8.833 -10.166 1.00 0.00 O ATOM 668 CB GLU A 43 -8.344 -7.028 -12.658 1.00 0.00 C ATOM 669 CG GLU A 43 -8.598 -8.406 -13.273 1.00 0.00 C ATOM 670 CD GLU A 43 -10.080 -8.760 -13.137 1.00 0.00 C ATOM 671 OE1 GLU A 43 -10.840 -8.388 -14.017 1.00 0.00 O ATOM 672 OE2 GLU A 43 -10.430 -9.395 -12.157 1.00 0.00 O ATOM 0 H GLU A 43 -8.195 -5.028 -11.151 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.028 -7.794 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.159 -6.350 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.431 -6.597 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.308 -8.406 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.986 -9.157 -12.773 1.00 0.00 H new ATOM 679 N LEU A 44 -5.797 -7.165 -11.178 1.00 0.00 N ATOM 680 CA LEU A 44 -4.453 -7.729 -10.867 1.00 0.00 C ATOM 681 C LEU A 44 -3.873 -7.016 -9.643 1.00 0.00 C ATOM 682 O LEU A 44 -4.167 -5.865 -9.386 1.00 0.00 O ATOM 683 CB LEU A 44 -3.524 -7.524 -12.065 1.00 0.00 C ATOM 684 CG LEU A 44 -3.610 -8.738 -12.992 1.00 0.00 C ATOM 685 CD1 LEU A 44 -5.007 -8.810 -13.611 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.567 -8.604 -14.103 1.00 0.00 C ATOM 0 H LEU A 44 -5.790 -6.288 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.545 -8.795 -10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.804 -6.620 -12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.498 -7.386 -11.724 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.419 -9.646 -12.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.068 -9.675 -14.271 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.751 -8.904 -12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.199 -7.902 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.627 -9.468 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.759 -7.696 -14.674 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.571 -8.552 -13.663 1.00 0.00 H new ATOM 698 N PHE A 45 -3.052 -7.689 -8.886 1.00 0.00 N ATOM 699 CA PHE A 45 -2.454 -7.050 -7.680 1.00 0.00 C ATOM 700 C PHE A 45 -1.002 -6.670 -7.972 1.00 0.00 C ATOM 701 O PHE A 45 -0.100 -7.017 -7.237 1.00 0.00 O ATOM 702 CB PHE A 45 -2.500 -8.030 -6.507 1.00 0.00 C ATOM 703 CG PHE A 45 -3.938 -8.320 -6.149 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.788 -7.277 -5.764 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.421 -9.633 -6.201 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.121 -7.545 -5.432 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.754 -9.902 -5.868 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.604 -8.858 -5.484 1.00 0.00 C ATOM 0 H PHE A 45 -2.769 -8.655 -9.050 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.020 -6.154 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.986 -8.954 -6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.978 -7.610 -5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.415 -6.264 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.765 -10.438 -6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.777 -6.739 -5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.127 -10.915 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.632 -9.066 -5.228 1.00 0.00 H new ATOM 718 N GLU A 46 -0.768 -5.956 -9.040 1.00 0.00 N ATOM 719 CA GLU A 46 0.626 -5.555 -9.378 1.00 0.00 C ATOM 720 C GLU A 46 0.640 -4.093 -9.829 1.00 0.00 C ATOM 721 O GLU A 46 -0.371 -3.545 -10.223 1.00 0.00 O ATOM 722 CB GLU A 46 1.153 -6.442 -10.508 1.00 0.00 C ATOM 723 CG GLU A 46 2.575 -6.012 -10.873 1.00 0.00 C ATOM 724 CD GLU A 46 3.276 -7.149 -11.619 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.797 -8.269 -11.538 1.00 0.00 O ATOM 726 OE2 GLU A 46 4.280 -6.880 -12.260 1.00 0.00 O ATOM 0 H GLU A 46 -1.483 -5.634 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 46 1.261 -5.671 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.146 -7.487 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.503 -6.364 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.547 -5.117 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.132 -5.757 -9.971 1.00 0.00 H new ATOM 733 N VAL A 47 1.777 -3.456 -9.777 1.00 0.00 N ATOM 734 CA VAL A 47 1.854 -2.030 -10.204 1.00 0.00 C ATOM 735 C VAL A 47 2.754 -1.914 -11.435 1.00 0.00 C ATOM 736 O VAL A 47 3.734 -2.620 -11.569 1.00 0.00 O ATOM 737 CB VAL A 47 2.435 -1.189 -9.066 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.508 0.277 -9.501 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.536 -1.309 -7.833 1.00 0.00 C ATOM 0 H VAL A 47 2.657 -3.861 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 47 0.855 -1.669 -10.450 1.00 0.00 H new ATOM 0 HB VAL A 47 3.435 -1.547 -8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.922 0.877 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.147 0.364 -10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.507 0.635 -9.743 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.949 -0.710 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.536 -0.950 -8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.482 -2.352 -7.522 1.00 0.00 H new ATOM 749 N PHE A 48 2.429 -1.029 -12.337 1.00 0.00 N ATOM 750 CA PHE A 48 3.266 -0.869 -13.559 1.00 0.00 C ATOM 751 C PHE A 48 3.829 0.554 -13.609 1.00 0.00 C ATOM 752 O PHE A 48 3.262 1.475 -13.057 1.00 0.00 O ATOM 753 CB PHE A 48 2.409 -1.121 -14.802 1.00 0.00 C ATOM 754 CG PHE A 48 1.879 -2.535 -14.769 1.00 0.00 C ATOM 755 CD1 PHE A 48 0.922 -2.902 -13.815 1.00 0.00 C ATOM 756 CD2 PHE A 48 2.345 -3.479 -15.693 1.00 0.00 C ATOM 757 CE1 PHE A 48 0.431 -4.213 -13.786 1.00 0.00 C ATOM 758 CE2 PHE A 48 1.853 -4.789 -15.663 1.00 0.00 C ATOM 759 CZ PHE A 48 0.896 -5.156 -14.709 1.00 0.00 C ATOM 0 H PHE A 48 1.620 -0.410 -12.280 1.00 0.00 H new ATOM 0 HA PHE A 48 4.087 -1.585 -13.532 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.582 -0.412 -14.837 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.001 -0.964 -15.703 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.563 -2.174 -13.102 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.084 -3.196 -16.428 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.307 -4.496 -13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.212 -5.517 -16.376 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.517 -6.167 -14.686 1.00 0.00 H new ATOM 769 N THR A 49 4.941 0.738 -14.266 1.00 0.00 N ATOM 770 CA THR A 49 5.540 2.101 -14.350 1.00 0.00 C ATOM 771 C THR A 49 6.196 2.285 -15.720 1.00 0.00 C ATOM 772 O THR A 49 6.557 1.331 -16.379 1.00 0.00 O ATOM 773 CB THR A 49 6.595 2.262 -13.253 1.00 0.00 C ATOM 774 OG1 THR A 49 7.862 2.503 -13.850 1.00 0.00 O ATOM 775 CG2 THR A 49 6.658 0.987 -12.412 1.00 0.00 C ATOM 0 H THR A 49 5.461 0.005 -14.748 1.00 0.00 H new ATOM 0 HA THR A 49 4.760 2.851 -14.217 1.00 0.00 H new ATOM 0 HB THR A 49 6.329 3.103 -12.612 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.539 2.608 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.410 1.103 -11.631 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.685 0.804 -11.955 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.924 0.144 -13.049 1.00 0.00 H new ATOM 783 N PRO A 50 6.346 3.511 -16.141 1.00 0.00 N ATOM 784 CA PRO A 50 6.968 3.844 -17.456 1.00 0.00 C ATOM 785 C PRO A 50 8.475 3.572 -17.468 1.00 0.00 C ATOM 786 O PRO A 50 9.184 3.910 -16.541 1.00 0.00 O ATOM 787 CB PRO A 50 6.692 5.339 -17.627 1.00 0.00 C ATOM 788 CG PRO A 50 6.491 5.869 -16.245 1.00 0.00 C ATOM 789 CD PRO A 50 5.936 4.717 -15.406 1.00 0.00 C ATOM 0 HA PRO A 50 6.559 3.234 -18.262 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.526 5.838 -18.121 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.809 5.507 -18.244 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.431 6.232 -15.830 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.799 6.711 -16.251 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.344 4.727 -14.395 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.852 4.778 -15.312 1.00 0.00 H new ATOM 911 N LEU A 60 4.161 -1.176 -20.759 1.00 0.00 N ATOM 912 CA LEU A 60 4.746 -0.576 -19.527 1.00 0.00 C ATOM 913 C LEU A 60 5.656 -1.598 -18.844 1.00 0.00 C ATOM 914 O LEU A 60 5.717 -2.747 -19.233 1.00 0.00 O ATOM 915 CB LEU A 60 3.619 -0.174 -18.572 1.00 0.00 C ATOM 916 CG LEU A 60 2.556 0.614 -19.338 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.307 0.767 -18.467 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.104 2.000 -19.688 1.00 0.00 C ATOM 0 HA LEU A 60 5.329 0.306 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.175 -1.062 -18.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.017 0.430 -17.757 1.00 0.00 H new ATOM 0 HG LEU A 60 2.298 0.081 -20.253 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.549 1.329 -19.013 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.916 -0.219 -18.215 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.565 1.300 -17.552 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.347 2.563 -20.234 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.361 2.532 -18.772 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.994 1.893 -20.308 1.00 0.00 H new ATOM 930 N GLY A 61 6.363 -1.190 -17.827 1.00 0.00 N ATOM 931 CA GLY A 61 7.269 -2.138 -17.119 1.00 0.00 C ATOM 932 C GLY A 61 6.637 -2.554 -15.789 1.00 0.00 C ATOM 933 O GLY A 61 5.488 -2.266 -15.520 1.00 0.00 O ATOM 0 H GLY A 61 6.353 -0.240 -17.455 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.449 -3.017 -17.739 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.237 -1.669 -16.943 1.00 0.00 H new ATOM 937 N ALA A 62 7.380 -3.227 -14.954 1.00 0.00 N ATOM 938 CA ALA A 62 6.821 -3.660 -13.643 1.00 0.00 C ATOM 939 C ALA A 62 7.721 -3.155 -12.513 1.00 0.00 C ATOM 940 O ALA A 62 8.866 -3.544 -12.398 1.00 0.00 O ATOM 941 CB ALA A 62 6.755 -5.188 -13.596 1.00 0.00 C ATOM 0 H ALA A 62 8.349 -3.495 -15.123 1.00 0.00 H new ATOM 0 HA ALA A 62 5.819 -3.248 -13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.346 -5.505 -12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.115 -5.549 -14.401 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.757 -5.599 -13.717 1.00 0.00 H new ATOM 947 N ALA A 63 7.212 -2.290 -11.679 1.00 0.00 N ATOM 948 CA ALA A 63 8.040 -1.761 -10.559 1.00 0.00 C ATOM 949 C ALA A 63 8.616 -2.928 -9.754 1.00 0.00 C ATOM 950 O ALA A 63 8.069 -4.013 -9.738 1.00 0.00 O ATOM 951 CB ALA A 63 7.170 -0.894 -9.647 1.00 0.00 C ATOM 0 H ALA A 63 6.260 -1.927 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 63 8.855 -1.161 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.775 -0.507 -8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.759 -0.062 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.355 -1.494 -9.244 1.00 0.00 H new ATOM 957 N SER A 64 9.716 -2.715 -9.085 1.00 0.00 N ATOM 958 CA SER A 64 10.324 -3.813 -8.282 1.00 0.00 C ATOM 959 C SER A 64 9.914 -3.660 -6.817 1.00 0.00 C ATOM 960 O SER A 64 9.727 -2.566 -6.325 1.00 0.00 O ATOM 961 CB SER A 64 11.847 -3.743 -8.395 1.00 0.00 C ATOM 962 OG SER A 64 12.257 -4.355 -9.612 1.00 0.00 O ATOM 0 H SER A 64 10.220 -1.828 -9.060 1.00 0.00 H new ATOM 0 HA SER A 64 9.975 -4.775 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.178 -2.705 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.310 -4.248 -7.547 1.00 0.00 H new ATOM 0 HG SER A 64 13.233 -4.310 -9.688 1.00 0.00 H new ATOM 968 N LYS A 65 9.773 -4.751 -6.114 1.00 0.00 N ATOM 969 CA LYS A 65 9.374 -4.668 -4.681 1.00 0.00 C ATOM 970 C LYS A 65 10.168 -3.554 -3.994 1.00 0.00 C ATOM 971 O LYS A 65 9.829 -3.113 -2.913 1.00 0.00 O ATOM 972 CB LYS A 65 9.669 -6.002 -3.992 1.00 0.00 C ATOM 973 CG LYS A 65 11.063 -6.487 -4.393 1.00 0.00 C ATOM 974 CD LYS A 65 11.754 -7.114 -3.181 1.00 0.00 C ATOM 975 CE LYS A 65 13.111 -7.679 -3.601 1.00 0.00 C ATOM 976 NZ LYS A 65 14.133 -6.594 -3.568 1.00 0.00 N ATOM 0 H LYS A 65 9.917 -5.696 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 65 8.308 -4.451 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.611 -5.885 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.920 -6.742 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.988 -7.216 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.655 -5.653 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.886 -6.367 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.132 -7.906 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.403 -8.488 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.046 -8.102 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.056 -6.978 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.856 -5.836 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.201 -6.210 -2.604 1.00 0.00 H new ATOM 990 N ALA A 66 11.222 -3.095 -4.612 1.00 0.00 N ATOM 991 CA ALA A 66 12.035 -2.010 -3.993 1.00 0.00 C ATOM 992 C ALA A 66 11.404 -0.653 -4.315 1.00 0.00 C ATOM 993 O ALA A 66 11.218 0.176 -3.447 1.00 0.00 O ATOM 994 CB ALA A 66 13.458 -2.058 -4.553 1.00 0.00 C ATOM 0 H ALA A 66 11.555 -3.424 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 66 12.065 -2.149 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.054 -1.265 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.907 -3.025 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.429 -1.919 -5.634 1.00 0.00 H new ATOM 1000 N GLN A 67 11.076 -0.421 -5.556 1.00 0.00 N ATOM 1001 CA GLN A 67 10.459 0.882 -5.931 1.00 0.00 C ATOM 1002 C GLN A 67 9.218 1.128 -5.070 1.00 0.00 C ATOM 1003 O GLN A 67 8.999 2.216 -4.577 1.00 0.00 O ATOM 1004 CB GLN A 67 10.056 0.851 -7.407 1.00 0.00 C ATOM 1005 CG GLN A 67 10.027 2.276 -7.961 1.00 0.00 C ATOM 1006 CD GLN A 67 9.032 3.116 -7.157 1.00 0.00 C ATOM 1007 OE1 GLN A 67 9.259 4.286 -6.922 1.00 0.00 O ATOM 1008 NE2 GLN A 67 7.933 2.564 -6.722 1.00 0.00 N ATOM 0 H GLN A 67 11.208 -1.077 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 67 11.179 1.683 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.761 0.244 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.076 0.387 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.021 2.719 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.742 2.263 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.743 1.582 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.264 3.115 -6.184 1.00 0.00 H new ATOM 1017 N VAL A 68 8.405 0.124 -4.886 1.00 0.00 N ATOM 1018 CA VAL A 68 7.179 0.300 -4.056 1.00 0.00 C ATOM 1019 C VAL A 68 7.578 0.490 -2.592 1.00 0.00 C ATOM 1020 O VAL A 68 7.023 1.312 -1.889 1.00 0.00 O ATOM 1021 CB VAL A 68 6.291 -0.938 -4.187 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.138 -0.849 -3.186 1.00 0.00 C ATOM 1023 CG2 VAL A 68 5.727 -1.012 -5.608 1.00 0.00 C ATOM 0 H VAL A 68 8.536 -0.810 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 68 6.630 1.177 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 68 6.881 -1.831 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.506 -1.732 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.538 -0.796 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.547 0.044 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.094 -1.894 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.137 -0.118 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.548 -1.076 -6.322 1.00 0.00 H new ATOM 1033 N GLU A 69 8.535 -0.264 -2.125 1.00 0.00 N ATOM 1034 CA GLU A 69 8.967 -0.127 -0.706 1.00 0.00 C ATOM 1035 C GLU A 69 9.559 1.266 -0.485 1.00 0.00 C ATOM 1036 O GLU A 69 9.332 1.894 0.531 1.00 0.00 O ATOM 1037 CB GLU A 69 10.025 -1.186 -0.390 1.00 0.00 C ATOM 1038 CG GLU A 69 9.339 -2.527 -0.117 1.00 0.00 C ATOM 1039 CD GLU A 69 10.388 -3.640 -0.085 1.00 0.00 C ATOM 1040 OE1 GLU A 69 10.924 -3.953 -1.136 1.00 0.00 O ATOM 1041 OE2 GLU A 69 10.637 -4.162 0.989 1.00 0.00 O ATOM 0 H GLU A 69 9.036 -0.969 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 69 8.107 -0.265 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.718 -1.283 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.611 -0.882 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.806 -2.488 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.599 -2.733 -0.890 1.00 0.00 H new ATOM 1048 N ASN A 70 10.319 1.755 -1.427 1.00 0.00 N ATOM 1049 CA ASN A 70 10.925 3.107 -1.269 1.00 0.00 C ATOM 1050 C ASN A 70 9.816 4.143 -1.072 1.00 0.00 C ATOM 1051 O ASN A 70 9.936 5.050 -0.273 1.00 0.00 O ATOM 1052 CB ASN A 70 11.730 3.454 -2.523 1.00 0.00 C ATOM 1053 CG ASN A 70 13.036 2.658 -2.528 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.627 2.430 -1.491 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.514 2.221 -3.661 1.00 0.00 N ATOM 0 H ASN A 70 10.546 1.277 -2.299 1.00 0.00 H new ATOM 0 HA ASN A 70 11.584 3.111 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.149 3.225 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.943 4.523 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.384 1.688 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.018 2.412 -4.531 1.00 0.00 H new ATOM 1062 N GLU A 71 8.736 4.014 -1.792 1.00 0.00 N ATOM 1063 CA GLU A 71 7.621 4.992 -1.644 1.00 0.00 C ATOM 1064 C GLU A 71 6.896 4.741 -0.320 1.00 0.00 C ATOM 1065 O GLU A 71 6.944 5.547 0.587 1.00 0.00 O ATOM 1066 CB GLU A 71 6.637 4.824 -2.804 1.00 0.00 C ATOM 1067 CG GLU A 71 7.380 4.988 -4.132 1.00 0.00 C ATOM 1068 CD GLU A 71 7.376 6.462 -4.540 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.187 7.297 -3.670 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.561 6.732 -5.715 1.00 0.00 O ATOM 0 H GLU A 71 8.577 3.274 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 71 8.023 6.005 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.167 3.842 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.839 5.563 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.405 4.629 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.903 4.385 -4.905 1.00 0.00 H new ATOM 1077 N PHE A 72 6.223 3.630 -0.203 1.00 0.00 N ATOM 1078 CA PHE A 72 5.495 3.328 1.062 1.00 0.00 C ATOM 1079 C PHE A 72 6.413 2.548 2.005 1.00 0.00 C ATOM 1080 O PHE A 72 6.935 3.082 2.962 1.00 0.00 O ATOM 1081 CB PHE A 72 4.252 2.492 0.750 1.00 0.00 C ATOM 1082 CG PHE A 72 3.496 3.123 -0.395 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.839 2.813 -1.716 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.450 4.017 -0.134 1.00 0.00 C ATOM 1085 CE1 PHE A 72 3.137 3.398 -2.777 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.748 4.601 -1.196 1.00 0.00 C ATOM 1087 CZ PHE A 72 2.092 4.291 -2.516 1.00 0.00 C ATOM 0 H PHE A 72 6.145 2.918 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 72 5.193 4.261 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.541 1.473 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.613 2.428 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.645 2.123 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.185 4.256 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.402 3.160 -3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.941 5.291 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.550 4.741 -3.335 1.00 0.00 H new ATOM 1097 N GLY A 73 6.613 1.286 1.741 1.00 0.00 N ATOM 1098 CA GLY A 73 7.498 0.472 2.623 1.00 0.00 C ATOM 1099 C GLY A 73 6.916 -0.935 2.775 1.00 0.00 C ATOM 1100 O GLY A 73 5.778 -1.186 2.431 1.00 0.00 O ATOM 0 H GLY A 73 6.203 0.783 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.501 0.418 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.590 0.946 3.600 1.00 0.00 H new ATOM 1104 N LYS A 74 7.687 -1.854 3.289 1.00 0.00 N ATOM 1105 CA LYS A 74 7.176 -3.242 3.463 1.00 0.00 C ATOM 1106 C LYS A 74 6.359 -3.328 4.753 1.00 0.00 C ATOM 1107 O LYS A 74 5.805 -4.357 5.081 1.00 0.00 O ATOM 1108 CB LYS A 74 8.357 -4.213 3.541 1.00 0.00 C ATOM 1109 CG LYS A 74 7.833 -5.646 3.659 1.00 0.00 C ATOM 1110 CD LYS A 74 8.910 -6.624 3.185 1.00 0.00 C ATOM 1111 CE LYS A 74 8.280 -7.993 2.927 1.00 0.00 C ATOM 1112 NZ LYS A 74 9.305 -9.057 3.121 1.00 0.00 N ATOM 0 H LYS A 74 8.648 -1.703 3.596 1.00 0.00 H new ATOM 0 HA LYS A 74 6.543 -3.505 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.981 -4.115 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.984 -3.972 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.561 -5.861 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.930 -5.765 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.379 -6.251 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.695 -6.709 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.442 -8.153 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.882 -8.037 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.876 -9.988 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.091 -8.907 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.664 -9.020 4.096 1.00 0.00 H new ATOM 1126 N GLY A 75 6.282 -2.253 5.490 1.00 0.00 N ATOM 1127 CA GLY A 75 5.500 -2.273 6.759 1.00 0.00 C ATOM 1128 C GLY A 75 4.024 -2.523 6.447 1.00 0.00 C ATOM 1129 O GLY A 75 3.215 -2.710 7.333 1.00 0.00 O ATOM 0 H GLY A 75 6.727 -1.362 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.880 -3.052 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.616 -1.325 7.284 1.00 0.00 H new ATOM 1133 N LYS A 76 3.666 -2.529 5.192 1.00 0.00 N ATOM 1134 CA LYS A 76 2.241 -2.767 4.824 1.00 0.00 C ATOM 1135 C LYS A 76 2.172 -3.793 3.692 1.00 0.00 C ATOM 1136 O LYS A 76 3.060 -3.884 2.869 1.00 0.00 O ATOM 1137 CB LYS A 76 1.608 -1.453 4.360 1.00 0.00 C ATOM 1138 CG LYS A 76 2.356 -0.275 4.988 1.00 0.00 C ATOM 1139 CD LYS A 76 1.666 1.033 4.598 1.00 0.00 C ATOM 1140 CE LYS A 76 1.799 2.041 5.742 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.741 3.425 5.192 1.00 0.00 N ATOM 0 H LYS A 76 4.298 -2.379 4.406 1.00 0.00 H new ATOM 0 HA LYS A 76 1.700 -3.145 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.646 -1.383 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.556 -1.423 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.375 -0.379 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.392 -0.267 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.114 1.436 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.614 0.851 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.999 1.892 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.740 1.887 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.831 4.111 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.519 3.563 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.832 3.568 4.707 1.00 0.00 H new ATOM 1155 N LYS A 77 1.123 -4.568 3.646 1.00 0.00 N ATOM 1156 CA LYS A 77 0.999 -5.589 2.566 1.00 0.00 C ATOM 1157 C LYS A 77 0.806 -4.887 1.221 1.00 0.00 C ATOM 1158 O LYS A 77 1.001 -3.695 1.098 1.00 0.00 O ATOM 1159 CB LYS A 77 -0.207 -6.487 2.852 1.00 0.00 C ATOM 1160 CG LYS A 77 0.120 -7.427 4.014 1.00 0.00 C ATOM 1161 CD LYS A 77 -1.064 -8.363 4.262 1.00 0.00 C ATOM 1162 CE LYS A 77 -2.229 -7.567 4.854 1.00 0.00 C ATOM 1163 NZ LYS A 77 -2.877 -8.364 5.934 1.00 0.00 N ATOM 0 H LYS A 77 0.348 -4.539 4.308 1.00 0.00 H new ATOM 0 HA LYS A 77 1.904 -6.196 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.077 -5.878 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.462 -7.065 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.014 -8.007 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.335 -6.850 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.370 -8.835 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.773 -9.163 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.870 -6.618 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.955 -7.331 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.669 -7.823 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.233 -9.258 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.182 -8.567 6.680 1.00 0.00 H new ATOM 1177 N ILE A 78 0.425 -5.619 0.210 1.00 0.00 N ATOM 1178 CA ILE A 78 0.221 -4.995 -1.127 1.00 0.00 C ATOM 1179 C ILE A 78 -1.204 -4.444 -1.221 1.00 0.00 C ATOM 1180 O ILE A 78 -1.439 -3.399 -1.794 1.00 0.00 O ATOM 1181 CB ILE A 78 0.432 -6.047 -2.218 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.246 -5.400 -3.592 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.585 -7.175 -2.045 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.611 -5.206 -4.256 1.00 0.00 C ATOM 0 H ILE A 78 0.246 -6.622 0.253 1.00 0.00 H new ATOM 0 HA ILE A 78 0.935 -4.183 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 78 1.440 -6.453 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.388 -6.028 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.259 -4.440 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.434 -7.924 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.453 -7.637 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.594 -6.770 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.477 -4.745 -5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.230 -4.561 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.099 -6.174 -4.374 1.00 0.00 H new ATOM 1196 N GLU A 79 -2.156 -5.140 -0.664 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.565 -4.657 -0.722 1.00 0.00 C ATOM 1198 C GLU A 79 -3.672 -3.307 -0.008 1.00 0.00 C ATOM 1199 O GLU A 79 -4.515 -2.492 -0.326 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.481 -5.671 -0.033 1.00 0.00 C ATOM 1201 CG GLU A 79 -5.254 -6.460 -1.090 1.00 0.00 C ATOM 1202 CD GLU A 79 -4.270 -7.110 -2.065 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -3.849 -6.435 -2.989 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -3.956 -8.273 -1.870 1.00 0.00 O ATOM 0 H GLU A 79 -2.020 -6.022 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.867 -4.543 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.891 -6.349 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.175 -5.157 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.867 -7.224 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.932 -5.798 -1.629 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.825 -3.065 0.955 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.881 -1.768 1.687 1.00 0.00 C ATOM 1213 C GLU A 80 -2.265 -0.667 0.823 1.00 0.00 C ATOM 1214 O GLU A 80 -2.799 0.419 0.711 1.00 0.00 O ATOM 1215 CB GLU A 80 -2.098 -1.887 2.996 1.00 0.00 C ATOM 1216 CG GLU A 80 -3.075 -1.962 4.171 1.00 0.00 C ATOM 1217 CD GLU A 80 -3.728 -0.595 4.380 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -3.721 0.191 3.447 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -4.223 -0.357 5.469 1.00 0.00 O ATOM 0 H GLU A 80 -2.097 -3.709 1.266 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.919 -1.519 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.468 -2.776 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.435 -1.030 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.838 -2.715 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.550 -2.268 5.076 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.144 -0.936 0.211 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.496 0.098 -0.645 1.00 0.00 C ATOM 1228 C VAL A 81 -1.504 0.616 -1.674 1.00 0.00 C ATOM 1229 O VAL A 81 -1.639 1.806 -1.878 1.00 0.00 O ATOM 1230 CB VAL A 81 0.702 -0.518 -1.370 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.090 0.365 -2.557 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.884 -0.620 -0.403 1.00 0.00 C ATOM 0 H VAL A 81 -0.649 -1.826 0.267 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.158 0.925 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 81 0.438 -1.513 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.944 -0.074 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.248 0.439 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.355 1.360 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.739 -1.059 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.148 0.375 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.608 -1.249 0.443 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.210 -0.267 -2.323 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.208 0.177 -3.338 1.00 0.00 C ATOM 1244 C ILE A 82 -4.265 1.054 -2.665 1.00 0.00 C ATOM 1245 O ILE A 82 -4.698 2.051 -3.209 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.880 -1.048 -3.963 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -3.024 -1.562 -5.122 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -5.264 -0.661 -4.487 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -1.779 -2.258 -4.569 1.00 0.00 C ATOM 0 H ILE A 82 -2.140 -1.277 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.704 0.750 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.982 -1.829 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.600 -2.257 -5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.733 -0.734 -5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.742 -1.534 -4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.875 -0.293 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.162 0.120 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.170 -2.624 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.199 -1.550 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.080 -3.096 -3.941 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.686 0.691 -1.484 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.716 1.505 -0.777 1.00 0.00 C ATOM 1263 C ASP A 83 -5.315 2.981 -0.816 1.00 0.00 C ATOM 1264 O ASP A 83 -6.076 3.830 -1.235 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.822 1.043 0.677 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.047 1.686 1.329 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.989 1.982 0.613 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.024 1.871 2.535 1.00 0.00 O ATOM 0 H ASP A 83 -4.362 -0.133 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.680 1.378 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.902 -0.043 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.920 1.318 1.224 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.125 3.294 -0.381 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.677 4.716 -0.393 1.00 0.00 C ATOM 1275 C LEU A 84 -3.731 5.256 -1.824 1.00 0.00 C ATOM 1276 O LEU A 84 -3.985 6.423 -2.047 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.242 4.802 0.132 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.239 4.593 1.647 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.909 3.970 2.073 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.417 5.941 2.347 1.00 0.00 C ATOM 0 H LEU A 84 -3.444 2.627 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.333 5.310 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.621 4.047 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.812 5.773 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.057 3.928 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.906 3.821 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.781 3.010 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.091 4.635 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.415 5.793 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.599 6.606 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.364 6.386 2.043 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.492 4.417 -2.794 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.530 4.884 -4.208 1.00 0.00 C ATOM 1294 C ILE A 85 -4.966 5.253 -4.587 1.00 0.00 C ATOM 1295 O ILE A 85 -5.198 6.103 -5.423 1.00 0.00 O ATOM 1296 CB ILE A 85 -3.030 3.767 -5.128 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.576 3.439 -4.786 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.120 4.226 -6.583 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -1.109 2.249 -5.626 1.00 0.00 C ATOM 0 H ILE A 85 -3.272 3.429 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.890 5.759 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.646 2.879 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.942 4.305 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.485 3.207 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.764 3.431 -7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.156 4.461 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.504 5.114 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.073 2.016 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.736 1.384 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.185 2.499 -6.684 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.931 4.618 -3.979 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.350 4.933 -4.306 1.00 0.00 C ATOM 1313 C LEU A 86 -7.793 6.170 -3.524 1.00 0.00 C ATOM 1314 O LEU A 86 -8.681 6.890 -3.935 1.00 0.00 O ATOM 1315 CB LEU A 86 -8.236 3.744 -3.924 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.750 2.490 -4.654 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.618 1.297 -4.251 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.856 2.708 -6.165 1.00 0.00 C ATOM 0 H LEU A 86 -5.798 3.896 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.442 5.128 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.205 3.585 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.274 3.951 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.712 2.292 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.272 0.403 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.546 1.142 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.656 1.495 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.510 1.816 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.894 2.905 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.239 3.559 -6.454 1.00 0.00 H new ATOM 1330 N ARG A 87 -7.182 6.424 -2.399 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.569 7.616 -1.593 1.00 0.00 C ATOM 1332 C ARG A 87 -6.674 8.799 -1.969 1.00 0.00 C ATOM 1333 O ARG A 87 -6.764 9.865 -1.392 1.00 0.00 O ATOM 1334 CB ARG A 87 -7.401 7.302 -0.105 1.00 0.00 C ATOM 1335 CG ARG A 87 -8.430 8.097 0.703 1.00 0.00 C ATOM 1336 CD ARG A 87 -8.162 7.910 2.197 1.00 0.00 C ATOM 1337 NE ARG A 87 -8.326 9.214 2.898 1.00 0.00 N ATOM 1338 CZ ARG A 87 -8.442 9.247 4.198 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -8.416 8.136 4.883 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -8.585 10.389 4.812 1.00 0.00 N ATOM 0 H ARG A 87 -6.432 5.858 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.610 7.869 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.532 6.234 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.392 7.557 0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.374 9.154 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.438 7.761 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.850 7.173 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.153 7.526 2.351 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.348 10.082 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.305 7.243 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.507 8.161 5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.606 11.257 4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.676 10.414 5.828 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.812 8.621 -2.932 1.00 0.00 N ATOM 1355 CA ASN A 88 -4.914 9.736 -3.343 1.00 0.00 C ATOM 1356 C ASN A 88 -4.350 9.449 -4.737 1.00 0.00 C ATOM 1357 O ASN A 88 -3.153 9.391 -4.933 1.00 0.00 O ATOM 1358 CB ASN A 88 -3.762 9.859 -2.343 1.00 0.00 C ATOM 1359 CG ASN A 88 -2.716 10.833 -2.885 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -1.589 10.848 -2.431 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.042 11.655 -3.844 1.00 0.00 N ATOM 0 H ASN A 88 -5.691 7.752 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.479 10.668 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.137 10.210 -1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.310 8.882 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.351 12.309 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.988 11.644 -4.226 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.205 9.269 -5.706 1.00 0.00 N ATOM 1369 CA GLY A 89 -4.718 8.985 -7.087 1.00 0.00 C ATOM 1370 C GLY A 89 -4.669 10.286 -7.889 1.00 0.00 C ATOM 1371 O GLY A 89 -4.140 11.284 -7.441 1.00 0.00 O ATOM 0 H GLY A 89 -6.219 9.306 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.727 8.532 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.378 8.268 -7.576 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.217 10.285 -9.073 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.202 11.522 -9.903 1.00 0.00 C ATOM 1377 C LYS A 90 -6.385 11.500 -10.874 1.00 0.00 C ATOM 1378 O LYS A 90 -6.212 11.485 -12.077 1.00 0.00 O ATOM 1379 CB LYS A 90 -3.894 11.589 -10.695 1.00 0.00 C ATOM 1380 CG LYS A 90 -3.633 13.032 -11.129 1.00 0.00 C ATOM 1381 CD LYS A 90 -2.419 13.073 -12.060 1.00 0.00 C ATOM 1382 CE LYS A 90 -1.744 14.442 -11.958 1.00 0.00 C ATOM 1383 NZ LYS A 90 -0.522 14.333 -11.111 1.00 0.00 N ATOM 0 H LYS A 90 -5.675 9.480 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.280 12.395 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.067 11.227 -10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.952 10.940 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.509 13.434 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.456 13.659 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.714 12.287 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.729 12.884 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.479 14.804 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.434 15.168 -11.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.063 15.264 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.787 14.006 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.138 13.653 -11.540 1.00 0.00 H new