USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 Single : A 4 ASN : amide:sc= -0.841 K(o=-0.84,f=-3.8!) USER MOD Single : A 5 ASN : amide:sc= 0.555! C(o=0.56!,f=-6.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.141 (180deg=-0.682) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc=-0.00106 (180deg=-0.22) USER MOD Single : A 16 SER OG : rot 94:sc= 1.19 USER MOD Single : A 17 GLN : amide:sc= -4.97! C(o=-5!,f=-7.8!) USER MOD Single : A 18 SER OG : rot 155:sc= -2.29! USER MOD Single : A 27 SER OG : rot 180:sc= 0.00769 USER MOD Single : A 29 GLN : amide:sc= -3! C(o=-3!,f=-12!) USER MOD Single : A 30 THR OG1 : rot 115:sc= -0.806 USER MOD Single : A 32 ASN : amide:sc= -3.69! C(o=-3.7!,f=-7.5!) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= 1.23 (180deg=-0.295!) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.15 F(o=-5.3!,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.0792 (180deg=-0.627) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0901 USER MOD Single : A 40 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 44 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00242 (180deg=-0.258) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -154:sc= 1.1 USER MOD Single : A 54 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 55 THR OG1 : rot -168:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -1.230 -1.426 -6.006 1.00 0.00 N ATOM 57 CA ASN A 4 -1.832 -2.253 -4.973 1.00 0.00 C ATOM 58 C ASN A 4 -1.559 -3.718 -5.278 1.00 0.00 C ATOM 59 O ASN A 4 -2.458 -4.565 -5.248 1.00 0.00 O ATOM 60 CB ASN A 4 -3.335 -1.982 -4.905 1.00 0.00 C ATOM 61 CG ASN A 4 -3.592 -0.494 -4.672 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.578 -0.022 -3.532 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.806 0.284 -5.690 1.00 0.00 N ATOM 0 HA ASN A 4 -1.396 -2.010 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.812 -2.300 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.781 -2.566 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.962 1.282 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.818 -0.103 -6.634 1.00 0.00 H new ATOM 70 N ASN A 5 -0.318 -3.996 -5.637 1.00 0.00 N ATOM 71 CA ASN A 5 0.107 -5.330 -6.056 1.00 0.00 C ATOM 72 C ASN A 5 0.271 -6.290 -4.879 1.00 0.00 C ATOM 73 O ASN A 5 0.943 -7.316 -4.992 1.00 0.00 O ATOM 74 CB ASN A 5 1.408 -5.260 -6.884 1.00 0.00 C ATOM 75 CG ASN A 5 2.381 -4.235 -6.287 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.971 -3.147 -5.877 1.00 0.00 O ATOM 77 ND2 ASN A 5 3.642 -4.503 -6.221 1.00 0.00 N ATOM 0 H ASN A 5 0.430 -3.303 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.689 -5.728 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.880 -6.242 -6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.175 -4.989 -7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.289 -3.817 -5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.991 -5.400 -6.558 1.00 0.00 H new ATOM 84 N LEU A 6 -0.434 -6.014 -3.800 1.00 0.00 N ATOM 85 CA LEU A 6 -0.428 -6.886 -2.622 1.00 0.00 C ATOM 86 C LEU A 6 -0.966 -8.257 -3.002 1.00 0.00 C ATOM 87 O LEU A 6 -0.445 -9.300 -2.580 1.00 0.00 O ATOM 88 CB LEU A 6 -1.290 -6.243 -1.503 1.00 0.00 C ATOM 89 CG LEU A 6 -1.566 -7.209 -0.315 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.832 -8.039 -0.580 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.379 -8.151 -0.047 1.00 0.00 C ATOM 0 H LEU A 6 -1.025 -5.188 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 6 0.590 -7.006 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.785 -5.352 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.240 -5.917 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.711 -6.591 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.010 -8.709 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.686 -7.372 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.699 -8.625 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.617 -8.807 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.184 -8.752 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.506 -7.562 0.194 1.00 0.00 H new ATOM 103 N LYS A 7 -2.011 -8.240 -3.798 1.00 0.00 N ATOM 104 CA LYS A 7 -2.688 -9.452 -4.235 1.00 0.00 C ATOM 105 C LYS A 7 -1.697 -10.545 -4.585 1.00 0.00 C ATOM 106 O LYS A 7 -1.846 -11.672 -4.149 1.00 0.00 O ATOM 107 CB LYS A 7 -3.525 -9.170 -5.487 1.00 0.00 C ATOM 108 CG LYS A 7 -3.013 -7.905 -6.174 1.00 0.00 C ATOM 109 CD LYS A 7 -3.814 -7.652 -7.444 1.00 0.00 C ATOM 110 CE LYS A 7 -3.294 -6.386 -8.120 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.864 -6.283 -9.479 1.00 0.00 N ATOM 0 H LYS A 7 -2.422 -7.382 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.320 -9.779 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.469 -10.016 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.574 -9.049 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.101 -7.052 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.955 -8.013 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.725 -8.502 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.872 -7.543 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.566 -5.509 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.205 -6.409 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.510 -5.420 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.583 -7.114 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.901 -6.242 -9.418 1.00 0.00 H new ATOM 125 N LEU A 8 -0.729 -10.222 -5.433 1.00 0.00 N ATOM 126 CA LEU A 8 0.145 -11.249 -5.985 1.00 0.00 C ATOM 127 C LEU A 8 0.846 -12.000 -4.876 1.00 0.00 C ATOM 128 O LEU A 8 0.804 -13.230 -4.828 1.00 0.00 O ATOM 129 CB LEU A 8 1.194 -10.625 -6.923 1.00 0.00 C ATOM 130 CG LEU A 8 0.552 -10.051 -8.219 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.790 -10.719 -8.534 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.349 -8.538 -8.079 1.00 0.00 C ATOM 0 H LEU A 8 -0.531 -9.273 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.472 -11.944 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.722 -9.829 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.936 -11.378 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 8 1.235 -10.260 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.205 -10.290 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.640 -11.790 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.482 -10.553 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.101 -8.145 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.309 -8.336 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.312 -8.056 -7.913 1.00 0.00 H new ATOM 144 N ILE A 9 1.356 -11.268 -3.914 1.00 0.00 N ATOM 145 CA ILE A 9 1.957 -11.879 -2.751 1.00 0.00 C ATOM 146 C ILE A 9 0.877 -12.650 -1.998 1.00 0.00 C ATOM 147 O ILE A 9 1.092 -13.779 -1.547 1.00 0.00 O ATOM 148 CB ILE A 9 2.593 -10.799 -1.861 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.767 -10.164 -2.606 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.148 -11.442 -0.586 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.303 -8.910 -3.323 1.00 0.00 C ATOM 0 H ILE A 9 1.367 -10.248 -3.913 1.00 0.00 H new ATOM 0 HA ILE A 9 2.747 -12.569 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 9 1.837 -10.053 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.565 -9.919 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.180 -10.873 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.598 -10.674 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.338 -11.928 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.903 -12.182 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.144 -8.461 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.520 -9.167 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.911 -8.199 -2.596 1.00 0.00 H new ATOM 163 N ARG A 10 -0.289 -12.034 -1.873 1.00 0.00 N ATOM 164 CA ARG A 10 -1.411 -12.660 -1.192 1.00 0.00 C ATOM 165 C ARG A 10 -1.809 -13.973 -1.890 1.00 0.00 C ATOM 166 O ARG A 10 -1.954 -15.011 -1.229 1.00 0.00 O ATOM 167 CB ARG A 10 -2.600 -11.678 -1.145 1.00 0.00 C ATOM 168 CG ARG A 10 -3.809 -12.304 -0.445 1.00 0.00 C ATOM 169 CD ARG A 10 -4.841 -12.726 -1.494 1.00 0.00 C ATOM 170 NE ARG A 10 -5.240 -11.601 -2.339 1.00 0.00 N ATOM 171 CZ ARG A 10 -5.527 -11.773 -3.636 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.496 -12.969 -4.159 1.00 0.00 N ATOM 173 NH2 ARG A 10 -5.859 -10.755 -4.362 1.00 0.00 N ATOM 0 H ARG A 10 -0.482 -11.100 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.116 -12.905 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.304 -10.769 -0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.874 -11.386 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.496 -13.168 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.251 -11.590 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.426 -13.519 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.719 -13.138 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.301 -10.667 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.253 -13.773 -3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.715 -13.100 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.902 -9.824 -3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.078 -10.883 -5.350 1.00 0.00 H new ATOM 187 N GLU A 11 -1.904 -13.951 -3.225 1.00 0.00 N ATOM 188 CA GLU A 11 -2.202 -15.177 -3.979 1.00 0.00 C ATOM 189 C GLU A 11 -1.018 -16.117 -3.944 1.00 0.00 C ATOM 190 O GLU A 11 -1.179 -17.330 -4.016 1.00 0.00 O ATOM 191 CB GLU A 11 -2.592 -14.910 -5.445 1.00 0.00 C ATOM 192 CG GLU A 11 -3.022 -13.464 -5.651 1.00 0.00 C ATOM 193 CD GLU A 11 -3.965 -13.358 -6.831 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.517 -13.546 -7.939 1.00 0.00 O ATOM 195 OE2 GLU A 11 -5.132 -13.105 -6.616 1.00 0.00 O ATOM 0 H GLU A 11 -1.782 -13.116 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.064 -15.631 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.747 -15.136 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.404 -15.577 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.512 -13.092 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.146 -12.838 -5.820 1.00 0.00 H new ATOM 202 N LYS A 12 0.173 -15.538 -3.930 1.00 0.00 N ATOM 203 CA LYS A 12 1.410 -16.291 -3.999 1.00 0.00 C ATOM 204 C LYS A 12 1.462 -17.326 -2.895 1.00 0.00 C ATOM 205 O LYS A 12 1.704 -18.504 -3.155 1.00 0.00 O ATOM 206 CB LYS A 12 2.562 -15.313 -3.815 1.00 0.00 C ATOM 207 CG LYS A 12 3.909 -16.033 -3.817 1.00 0.00 C ATOM 208 CD LYS A 12 4.978 -15.070 -3.296 1.00 0.00 C ATOM 209 CE LYS A 12 5.244 -13.955 -4.313 1.00 0.00 C ATOM 210 NZ LYS A 12 5.727 -14.532 -5.589 1.00 0.00 N ATOM 0 H LYS A 12 0.306 -14.529 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 12 1.476 -16.803 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.543 -14.571 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.437 -14.774 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.863 -16.923 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.158 -16.366 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.654 -14.636 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.900 -15.616 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.331 -13.385 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.984 -13.260 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.246 -13.806 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.359 -15.334 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.916 -14.862 -6.150 1.00 0.00 H new ATOM 224 N LYS A 13 1.181 -16.903 -1.676 1.00 0.00 N ATOM 225 CA LYS A 13 1.160 -17.832 -0.551 1.00 0.00 C ATOM 226 C LYS A 13 -0.258 -18.297 -0.249 1.00 0.00 C ATOM 227 O LYS A 13 -0.518 -18.907 0.790 1.00 0.00 O ATOM 228 CB LYS A 13 1.813 -17.237 0.697 1.00 0.00 C ATOM 229 CG LYS A 13 1.697 -15.711 0.694 1.00 0.00 C ATOM 230 CD LYS A 13 1.970 -15.201 2.105 1.00 0.00 C ATOM 231 CE LYS A 13 3.232 -14.352 2.116 1.00 0.00 C ATOM 232 NZ LYS A 13 4.432 -15.222 2.123 1.00 0.00 N ATOM 0 H LYS A 13 0.966 -15.935 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 13 1.750 -18.700 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.337 -17.641 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.863 -17.527 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.409 -15.279 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.702 -15.408 0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.123 -14.613 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.082 -16.042 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.250 -13.702 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.237 -13.706 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.288 -14.632 2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.419 -15.824 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.432 -15.821 1.273 1.00 0.00 H new ATOM 246 N LYS A 14 -1.171 -17.985 -1.155 1.00 0.00 N ATOM 247 CA LYS A 14 -2.577 -18.355 -1.025 1.00 0.00 C ATOM 248 C LYS A 14 -3.186 -17.798 0.268 1.00 0.00 C ATOM 249 O LYS A 14 -3.997 -18.464 0.926 1.00 0.00 O ATOM 250 CB LYS A 14 -2.793 -19.897 -1.107 1.00 0.00 C ATOM 251 CG LYS A 14 -1.566 -20.645 -1.709 1.00 0.00 C ATOM 252 CD LYS A 14 -1.127 -20.056 -3.068 1.00 0.00 C ATOM 253 CE LYS A 14 -2.316 -19.947 -4.031 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.956 -21.274 -4.184 1.00 0.00 N ATOM 0 H LYS A 14 -0.959 -17.465 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.094 -17.905 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.996 -20.285 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.674 -20.105 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.733 -20.594 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.813 -21.699 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.686 -19.071 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.354 -20.686 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.039 -19.225 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.979 -19.581 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.406 -21.336 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.236 -22.019 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.676 -21.400 -3.444 1.00 0.00 H new ATOM 268 N ILE A 15 -2.874 -16.552 0.574 1.00 0.00 N ATOM 269 CA ILE A 15 -3.465 -15.882 1.729 1.00 0.00 C ATOM 270 C ILE A 15 -4.869 -15.409 1.396 1.00 0.00 C ATOM 271 O ILE A 15 -5.099 -14.820 0.339 1.00 0.00 O ATOM 272 CB ILE A 15 -2.562 -14.713 2.206 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.481 -15.235 3.171 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.384 -13.627 2.910 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.870 -16.533 2.646 1.00 0.00 C ATOM 0 H ILE A 15 -2.217 -15.980 0.043 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.538 -16.592 2.553 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.091 -14.278 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.701 -14.483 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.917 -15.404 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.723 -12.822 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.129 -13.231 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.885 -14.055 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.109 -16.885 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.649 -17.289 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.415 -16.353 1.672 1.00 0.00 H new ATOM 287 N SER A 16 -5.815 -15.733 2.255 1.00 0.00 N ATOM 288 CA SER A 16 -7.196 -15.366 2.026 1.00 0.00 C ATOM 289 C SER A 16 -7.398 -13.886 2.323 1.00 0.00 C ATOM 290 O SER A 16 -6.727 -13.319 3.188 1.00 0.00 O ATOM 291 CB SER A 16 -8.108 -16.203 2.914 1.00 0.00 C ATOM 292 OG SER A 16 -7.614 -17.547 2.962 1.00 0.00 O ATOM 0 H SER A 16 -5.651 -16.250 3.119 1.00 0.00 H new ATOM 0 HA SER A 16 -7.445 -15.554 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.146 -15.781 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.126 -16.191 2.525 1.00 0.00 H new ATOM 0 HG SER A 16 -7.034 -17.655 3.744 1.00 0.00 H new ATOM 298 N GLN A 17 -8.335 -13.267 1.648 1.00 0.00 N ATOM 299 CA GLN A 17 -8.648 -11.880 1.929 1.00 0.00 C ATOM 300 C GLN A 17 -9.277 -11.764 3.319 1.00 0.00 C ATOM 301 O GLN A 17 -8.977 -10.839 4.075 1.00 0.00 O ATOM 302 CB GLN A 17 -9.602 -11.325 0.862 1.00 0.00 C ATOM 303 CG GLN A 17 -8.919 -11.343 -0.512 1.00 0.00 C ATOM 304 CD GLN A 17 -7.823 -10.289 -0.565 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.078 -9.159 -0.972 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.622 -10.582 -0.170 1.00 0.00 N ATOM 0 H GLN A 17 -8.892 -13.693 0.907 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.729 -11.295 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.514 -11.921 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.895 -10.307 1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.496 -12.329 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.654 -11.154 -1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.411 -11.521 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.889 -9.873 -0.197 1.00 0.00 H new ATOM 315 N SER A 18 -10.162 -12.705 3.641 1.00 0.00 N ATOM 316 CA SER A 18 -10.884 -12.683 4.913 1.00 0.00 C ATOM 317 C SER A 18 -9.945 -12.774 6.111 1.00 0.00 C ATOM 318 O SER A 18 -10.082 -12.013 7.074 1.00 0.00 O ATOM 319 CB SER A 18 -11.881 -13.840 4.958 1.00 0.00 C ATOM 320 OG SER A 18 -12.459 -14.010 3.666 1.00 0.00 O ATOM 0 H SER A 18 -10.397 -13.494 3.038 1.00 0.00 H new ATOM 0 HA SER A 18 -11.408 -11.729 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.379 -14.756 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.659 -13.637 5.694 1.00 0.00 H new ATOM 0 HG SER A 18 -12.765 -14.935 3.564 1.00 0.00 H new ATOM 326 N GLU A 19 -8.981 -13.687 6.048 1.00 0.00 N ATOM 327 CA GLU A 19 -8.044 -13.850 7.147 1.00 0.00 C ATOM 328 C GLU A 19 -7.210 -12.598 7.284 1.00 0.00 C ATOM 329 O GLU A 19 -7.052 -12.059 8.376 1.00 0.00 O ATOM 330 CB GLU A 19 -7.134 -15.076 6.907 1.00 0.00 C ATOM 331 CG GLU A 19 -6.258 -14.846 5.667 1.00 0.00 C ATOM 332 CD GLU A 19 -5.468 -16.086 5.327 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.047 -17.006 4.791 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.292 -16.103 5.593 1.00 0.00 O ATOM 0 H GLU A 19 -8.831 -14.316 5.259 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.601 -14.016 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.505 -15.248 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.743 -15.970 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.885 -14.566 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.577 -14.014 5.847 1.00 0.00 H new ATOM 341 N LEU A 20 -6.726 -12.124 6.151 1.00 0.00 N ATOM 342 CA LEU A 20 -5.910 -10.932 6.080 1.00 0.00 C ATOM 343 C LEU A 20 -6.677 -9.703 6.553 1.00 0.00 C ATOM 344 O LEU A 20 -6.166 -8.909 7.333 1.00 0.00 O ATOM 345 CB LEU A 20 -5.470 -10.737 4.622 1.00 0.00 C ATOM 346 CG LEU A 20 -4.857 -9.345 4.413 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.407 -9.476 3.939 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.684 -8.590 3.367 1.00 0.00 C ATOM 0 H LEU A 20 -6.892 -12.563 5.245 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.046 -11.053 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.742 -11.503 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.327 -10.864 3.960 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.866 -8.796 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.981 -8.483 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.826 -10.014 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.380 -10.024 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.257 -7.599 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.673 -9.142 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.711 -8.491 3.718 1.00 0.00 H new ATOM 360 N ALA A 21 -7.891 -9.544 6.062 1.00 0.00 N ATOM 361 CA ALA A 21 -8.682 -8.350 6.359 1.00 0.00 C ATOM 362 C ALA A 21 -8.890 -8.179 7.855 1.00 0.00 C ATOM 363 O ALA A 21 -8.815 -7.062 8.378 1.00 0.00 O ATOM 364 CB ALA A 21 -10.029 -8.408 5.641 1.00 0.00 C ATOM 0 H ALA A 21 -8.356 -10.221 5.457 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.125 -7.486 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.604 -7.512 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.866 -8.465 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.580 -9.288 5.972 1.00 0.00 H new ATOM 370 N ALA A 22 -9.097 -9.288 8.548 1.00 0.00 N ATOM 371 CA ALA A 22 -9.282 -9.252 9.993 1.00 0.00 C ATOM 372 C ALA A 22 -8.038 -8.702 10.672 1.00 0.00 C ATOM 373 O ALA A 22 -8.126 -8.013 11.692 1.00 0.00 O ATOM 374 CB ALA A 22 -9.598 -10.649 10.537 1.00 0.00 C ATOM 0 H ALA A 22 -9.141 -10.221 8.137 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.125 -8.596 10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.732 -10.597 11.617 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.513 -11.021 10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.774 -11.324 10.306 1.00 0.00 H new ATOM 380 N LEU A 23 -6.883 -9.030 10.116 1.00 0.00 N ATOM 381 CA LEU A 23 -5.612 -8.596 10.683 1.00 0.00 C ATOM 382 C LEU A 23 -5.540 -7.086 10.634 1.00 0.00 C ATOM 383 O LEU A 23 -4.923 -6.443 11.494 1.00 0.00 O ATOM 384 CB LEU A 23 -4.443 -9.142 9.855 1.00 0.00 C ATOM 385 CG LEU A 23 -4.585 -10.650 9.648 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.424 -11.166 8.818 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.621 -11.386 10.975 1.00 0.00 C ATOM 0 H LEU A 23 -6.797 -9.596 9.272 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.546 -8.963 11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.409 -8.639 8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.501 -8.926 10.360 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.525 -10.832 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.530 -12.241 8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.420 -10.668 7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.487 -10.960 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.723 -12.456 10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.697 -11.196 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.469 -11.035 11.563 1.00 0.00 H new ATOM 399 N LEU A 24 -6.029 -6.543 9.535 1.00 0.00 N ATOM 400 CA LEU A 24 -5.903 -5.125 9.252 1.00 0.00 C ATOM 401 C LEU A 24 -7.069 -4.375 9.870 1.00 0.00 C ATOM 402 O LEU A 24 -7.104 -3.138 9.863 1.00 0.00 O ATOM 403 CB LEU A 24 -5.951 -4.914 7.740 1.00 0.00 C ATOM 404 CG LEU A 24 -5.078 -5.955 7.023 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.150 -5.741 5.520 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.625 -5.896 7.500 1.00 0.00 C ATOM 0 H LEU A 24 -6.523 -7.070 8.815 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.962 -4.759 9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.980 -4.990 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.604 -3.910 7.496 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.464 -6.945 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.529 -6.482 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.182 -5.846 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.790 -4.741 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.038 -6.646 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.216 -4.906 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.585 -6.093 8.571 1.00 0.00 H new ATOM 418 N GLU A 25 -8.064 -5.132 10.313 1.00 0.00 N ATOM 419 CA GLU A 25 -9.301 -4.569 10.829 1.00 0.00 C ATOM 420 C GLU A 25 -10.007 -3.750 9.759 1.00 0.00 C ATOM 421 O GLU A 25 -10.590 -2.697 10.045 1.00 0.00 O ATOM 422 CB GLU A 25 -9.057 -3.712 12.068 1.00 0.00 C ATOM 423 CG GLU A 25 -8.569 -4.593 13.218 1.00 0.00 C ATOM 424 CD GLU A 25 -8.372 -3.748 14.447 1.00 0.00 C ATOM 425 OE1 GLU A 25 -7.691 -2.750 14.352 1.00 0.00 O ATOM 426 OE2 GLU A 25 -8.903 -4.111 15.474 1.00 0.00 O ATOM 0 H GLU A 25 -8.035 -6.152 10.324 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.941 -5.403 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.318 -2.942 11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.976 -3.200 12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.293 -5.382 13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.633 -5.081 12.945 1.00 0.00 H new ATOM 433 N VAL A 26 -10.003 -4.262 8.544 1.00 0.00 N ATOM 434 CA VAL A 26 -10.689 -3.607 7.446 1.00 0.00 C ATOM 435 C VAL A 26 -11.618 -4.587 6.768 1.00 0.00 C ATOM 436 O VAL A 26 -11.453 -5.803 6.899 1.00 0.00 O ATOM 437 CB VAL A 26 -9.684 -3.035 6.432 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.788 -1.999 7.118 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.818 -4.163 5.855 1.00 0.00 C ATOM 0 H VAL A 26 -9.532 -5.131 8.291 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.272 -2.777 7.846 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.234 -2.557 5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.078 -1.597 6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.403 -1.190 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.245 -2.472 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.110 -3.748 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.273 -4.652 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.456 -4.892 5.354 1.00 0.00 H new ATOM 449 N SER A 27 -12.588 -4.074 6.053 1.00 0.00 N ATOM 450 CA SER A 27 -13.523 -4.927 5.374 1.00 0.00 C ATOM 451 C SER A 27 -12.808 -5.665 4.244 1.00 0.00 C ATOM 452 O SER A 27 -11.925 -5.098 3.584 1.00 0.00 O ATOM 453 CB SER A 27 -14.681 -4.095 4.838 1.00 0.00 C ATOM 454 OG SER A 27 -15.047 -3.112 5.818 1.00 0.00 O ATOM 0 H SER A 27 -12.748 -3.074 5.928 1.00 0.00 H new ATOM 0 HA SER A 27 -13.926 -5.664 6.069 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.394 -3.608 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.533 -4.737 4.613 1.00 0.00 H new ATOM 0 HG SER A 27 -15.791 -2.572 5.478 1.00 0.00 H new ATOM 460 N ARG A 28 -13.162 -6.919 4.046 1.00 0.00 N ATOM 461 CA ARG A 28 -12.519 -7.757 3.041 1.00 0.00 C ATOM 462 C ARG A 28 -12.688 -7.162 1.656 1.00 0.00 C ATOM 463 O ARG A 28 -11.732 -7.106 0.871 1.00 0.00 O ATOM 464 CB ARG A 28 -13.087 -9.181 3.110 1.00 0.00 C ATOM 465 CG ARG A 28 -12.381 -10.107 2.116 1.00 0.00 C ATOM 466 CD ARG A 28 -12.927 -11.532 2.286 1.00 0.00 C ATOM 467 NE ARG A 28 -14.348 -11.586 1.945 1.00 0.00 N ATOM 468 CZ ARG A 28 -15.141 -12.575 2.372 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.651 -13.536 3.099 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.402 -12.578 2.057 1.00 0.00 N ATOM 0 H ARG A 28 -13.899 -7.389 4.572 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.450 -7.802 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.972 -9.573 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.156 -9.160 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.546 -9.760 1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.305 -10.093 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.369 -12.219 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.782 -11.862 3.315 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.746 -10.848 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.661 -13.536 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.257 -14.289 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.786 -11.826 1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.007 -13.332 2.382 1.00 0.00 H new ATOM 484 N GLN A 29 -13.883 -6.672 1.375 1.00 0.00 N ATOM 485 CA GLN A 29 -14.152 -6.050 0.093 1.00 0.00 C ATOM 486 C GLN A 29 -13.136 -4.955 -0.183 1.00 0.00 C ATOM 487 O GLN A 29 -12.745 -4.728 -1.328 1.00 0.00 O ATOM 488 CB GLN A 29 -15.582 -5.487 0.034 1.00 0.00 C ATOM 489 CG GLN A 29 -15.806 -4.452 1.145 1.00 0.00 C ATOM 490 CD GLN A 29 -16.312 -5.128 2.409 1.00 0.00 C ATOM 491 OE1 GLN A 29 -15.873 -6.229 2.748 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.189 -4.529 3.137 1.00 0.00 N ATOM 0 H GLN A 29 -14.678 -6.693 2.014 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.064 -6.815 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.757 -5.027 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.302 -6.299 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.874 -3.927 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.525 -3.703 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.550 -3.618 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.522 -4.965 3.997 1.00 0.00 H new ATOM 501 N THR A 30 -12.731 -4.255 0.863 1.00 0.00 N ATOM 502 CA THR A 30 -11.784 -3.176 0.708 1.00 0.00 C ATOM 503 C THR A 30 -10.466 -3.712 0.154 1.00 0.00 C ATOM 504 O THR A 30 -9.962 -3.220 -0.848 1.00 0.00 O ATOM 505 CB THR A 30 -11.531 -2.503 2.067 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.577 -2.857 2.967 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.491 -0.977 1.904 1.00 0.00 C ATOM 0 H THR A 30 -13.043 -4.417 1.820 1.00 0.00 H new ATOM 0 HA THR A 30 -12.196 -2.445 0.012 1.00 0.00 H new ATOM 0 HB THR A 30 -10.572 -2.841 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.211 -3.399 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.311 -0.512 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.689 -0.705 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.444 -0.629 1.506 1.00 0.00 H new ATOM 515 N ILE A 31 -9.933 -4.745 0.790 1.00 0.00 N ATOM 516 CA ILE A 31 -8.647 -5.285 0.379 1.00 0.00 C ATOM 517 C ILE A 31 -8.705 -5.851 -1.026 1.00 0.00 C ATOM 518 O ILE A 31 -7.850 -5.535 -1.861 1.00 0.00 O ATOM 519 CB ILE A 31 -8.173 -6.350 1.385 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.868 -5.680 2.732 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.916 -7.064 0.871 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.740 -4.648 2.558 1.00 0.00 C ATOM 0 H ILE A 31 -10.365 -5.220 1.582 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.924 -4.469 0.368 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.965 -7.089 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.764 -5.192 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.575 -6.432 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.599 -7.812 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.137 -7.552 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.117 -6.336 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.528 -4.176 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.843 -5.148 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.049 -3.888 1.840 1.00 0.00 H new ATOM 534 N ASN A 32 -9.746 -6.606 -1.324 1.00 0.00 N ATOM 535 CA ASN A 32 -9.876 -7.147 -2.662 1.00 0.00 C ATOM 536 C ASN A 32 -10.194 -6.048 -3.652 1.00 0.00 C ATOM 537 O ASN A 32 -9.953 -6.196 -4.851 1.00 0.00 O ATOM 538 CB ASN A 32 -10.884 -8.308 -2.732 1.00 0.00 C ATOM 539 CG ASN A 32 -12.321 -7.838 -2.575 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.715 -6.814 -3.131 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.131 -8.531 -1.845 1.00 0.00 N ATOM 0 H ASN A 32 -10.495 -6.853 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.913 -7.576 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.775 -8.823 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.654 -9.033 -1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.098 -8.229 -1.729 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.803 -9.380 -1.384 1.00 0.00 H new ATOM 548 N GLY A 33 -10.691 -4.929 -3.139 1.00 0.00 N ATOM 549 CA GLY A 33 -10.948 -3.747 -3.948 1.00 0.00 C ATOM 550 C GLY A 33 -9.674 -2.926 -4.132 1.00 0.00 C ATOM 551 O GLY A 33 -9.408 -2.403 -5.222 1.00 0.00 O ATOM 0 H GLY A 33 -10.926 -4.817 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.337 -4.045 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.714 -3.135 -3.472 1.00 0.00 H new ATOM 555 N ILE A 34 -8.897 -2.788 -3.055 1.00 0.00 N ATOM 556 CA ILE A 34 -7.689 -1.968 -3.089 1.00 0.00 C ATOM 557 C ILE A 34 -6.706 -2.525 -4.099 1.00 0.00 C ATOM 558 O ILE A 34 -6.129 -1.772 -4.882 1.00 0.00 O ATOM 559 CB ILE A 34 -7.025 -1.882 -1.688 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.913 -1.083 -0.718 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.661 -1.183 -1.790 1.00 0.00 C ATOM 562 CD1 ILE A 34 -7.383 -1.235 0.714 1.00 0.00 C ATOM 0 H ILE A 34 -9.083 -3.231 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.976 -0.960 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.896 -2.898 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.923 -0.031 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.942 -1.439 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.205 -1.129 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.012 -1.748 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.797 -0.175 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.014 -0.668 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.396 -2.288 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.362 -0.858 0.766 1.00 0.00 H new ATOM 574 N GLU A 35 -6.532 -3.840 -4.102 1.00 0.00 N ATOM 575 CA GLU A 35 -5.604 -4.454 -5.028 1.00 0.00 C ATOM 576 C GLU A 35 -5.947 -4.097 -6.473 1.00 0.00 C ATOM 577 O GLU A 35 -5.078 -3.661 -7.225 1.00 0.00 O ATOM 578 CB GLU A 35 -5.527 -5.969 -4.811 1.00 0.00 C ATOM 579 CG GLU A 35 -6.909 -6.601 -4.890 1.00 0.00 C ATOM 580 CD GLU A 35 -6.812 -8.078 -4.585 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.164 -8.439 -3.622 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.383 -8.843 -5.317 1.00 0.00 O ATOM 0 H GLU A 35 -7.015 -4.490 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.611 -4.051 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.875 -6.415 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.082 -6.179 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.582 -6.117 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.331 -6.452 -5.884 1.00 0.00 H new ATOM 589 N LYS A 36 -7.230 -4.167 -6.833 1.00 0.00 N ATOM 590 CA LYS A 36 -7.647 -3.669 -8.147 1.00 0.00 C ATOM 591 C LYS A 36 -7.483 -2.164 -8.212 1.00 0.00 C ATOM 592 O LYS A 36 -6.962 -1.630 -9.188 1.00 0.00 O ATOM 593 CB LYS A 36 -9.098 -4.040 -8.459 1.00 0.00 C ATOM 594 CG LYS A 36 -9.152 -5.498 -8.925 1.00 0.00 C ATOM 595 CD LYS A 36 -9.890 -6.341 -7.897 1.00 0.00 C ATOM 596 CE LYS A 36 -9.053 -7.579 -7.581 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.452 -8.117 -6.264 1.00 0.00 N ATOM 0 H LYS A 36 -7.978 -4.550 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.008 -4.141 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.720 -3.905 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.497 -3.383 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.655 -5.562 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.142 -5.882 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.065 -5.762 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.867 -6.634 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.195 -8.335 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.993 -7.324 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.650 -8.625 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.735 -7.334 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.252 -8.771 -6.384 1.00 0.00 H new ATOM 611 N ASN A 37 -7.937 -1.494 -7.149 1.00 0.00 N ATOM 612 CA ASN A 37 -7.872 -0.032 -7.004 1.00 0.00 C ATOM 613 C ASN A 37 -8.955 0.452 -6.056 1.00 0.00 C ATOM 614 O ASN A 37 -10.145 0.290 -6.327 1.00 0.00 O ATOM 615 CB ASN A 37 -8.000 0.713 -8.355 1.00 0.00 C ATOM 616 CG ASN A 37 -9.317 0.384 -9.066 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.021 -0.646 -8.702 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -9.719 1.106 -9.988 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.368 -1.958 -6.350 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.887 0.196 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.938 1.788 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.163 0.444 -8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.171 1.916 -10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.599 0.891 -10.458 1.00 0.00 H new ATOM 625 N LYS A 38 -8.551 1.090 -4.978 1.00 0.00 N ATOM 626 CA LYS A 38 -9.492 1.673 -4.032 1.00 0.00 C ATOM 627 C LYS A 38 -8.769 2.731 -3.207 1.00 0.00 C ATOM 628 O LYS A 38 -8.541 3.836 -3.692 1.00 0.00 O ATOM 629 CB LYS A 38 -10.139 0.577 -3.149 1.00 0.00 C ATOM 630 CG LYS A 38 -11.243 1.175 -2.262 1.00 0.00 C ATOM 631 CD LYS A 38 -12.363 1.743 -3.150 1.00 0.00 C ATOM 632 CE LYS A 38 -13.637 1.958 -2.326 1.00 0.00 C ATOM 633 NZ LYS A 38 -14.184 0.643 -1.893 1.00 0.00 N ATOM 0 H LYS A 38 -7.570 1.221 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.310 2.154 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.558 -0.206 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.378 0.109 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.644 0.410 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.831 1.962 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.043 2.687 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.566 1.059 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.418 2.576 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.379 2.494 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.212 0.723 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.986 -0.072 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.737 0.358 -0.998 1.00 0.00 H new ATOM 647 N TYR A 39 -8.233 2.330 -2.062 1.00 0.00 N ATOM 648 CA TYR A 39 -7.342 3.190 -1.296 1.00 0.00 C ATOM 649 C TYR A 39 -6.097 2.403 -0.956 1.00 0.00 C ATOM 650 O TYR A 39 -6.192 1.348 -0.331 1.00 0.00 O ATOM 651 CB TYR A 39 -7.993 3.644 0.022 1.00 0.00 C ATOM 652 CG TYR A 39 -9.447 3.980 -0.184 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.818 5.003 -1.059 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.426 3.261 0.507 1.00 0.00 C ATOM 655 CE1 TYR A 39 -11.167 5.305 -1.240 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.772 3.563 0.325 1.00 0.00 C ATOM 657 CZ TYR A 39 -12.143 4.584 -0.548 1.00 0.00 C ATOM 658 OH TYR A 39 -13.473 4.878 -0.729 1.00 0.00 O ATOM 0 H TYR A 39 -8.400 1.415 -1.644 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.114 4.071 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.900 2.855 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.466 4.515 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.062 5.559 -1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.137 2.470 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.457 6.096 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.528 3.007 0.859 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.018 4.282 -0.174 1.00 0.00 H new ATOM 668 N ASN A 40 -4.939 2.949 -1.253 1.00 0.00 N ATOM 669 CA ASN A 40 -3.705 2.302 -0.848 1.00 0.00 C ATOM 670 C ASN A 40 -3.616 2.363 0.669 1.00 0.00 C ATOM 671 O ASN A 40 -3.886 3.416 1.256 1.00 0.00 O ATOM 672 CB ASN A 40 -2.506 3.003 -1.477 1.00 0.00 C ATOM 673 CG ASN A 40 -1.228 2.631 -0.736 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.885 1.454 -0.643 1.00 0.00 O ATOM 675 ND2 ASN A 40 -0.499 3.558 -0.202 1.00 0.00 N ATOM 0 H ASN A 40 -4.823 3.824 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.699 1.265 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.421 2.722 -2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.651 4.083 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.357 3.311 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.781 4.535 -0.277 1.00 0.00 H new ATOM 682 N PRO A 41 -3.385 1.255 1.328 1.00 0.00 N ATOM 683 CA PRO A 41 -3.430 1.199 2.812 1.00 0.00 C ATOM 684 C PRO A 41 -2.371 2.090 3.436 1.00 0.00 C ATOM 685 O PRO A 41 -1.279 2.263 2.872 1.00 0.00 O ATOM 686 CB PRO A 41 -3.165 -0.270 3.151 1.00 0.00 C ATOM 687 CG PRO A 41 -3.380 -1.021 1.882 1.00 0.00 C ATOM 688 CD PRO A 41 -3.043 -0.055 0.750 1.00 0.00 C ATOM 0 HA PRO A 41 -4.385 1.554 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.149 -0.409 3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.840 -0.620 3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.744 -1.905 1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.411 -1.366 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.991 -0.111 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.624 -0.265 -0.148 1.00 0.00 H new ATOM 696 N SER A 42 -2.664 2.596 4.622 1.00 0.00 N ATOM 697 CA SER A 42 -1.704 3.399 5.355 1.00 0.00 C ATOM 698 C SER A 42 -0.414 2.600 5.502 1.00 0.00 C ATOM 699 O SER A 42 -0.412 1.374 5.306 1.00 0.00 O ATOM 700 CB SER A 42 -2.257 3.736 6.745 1.00 0.00 C ATOM 701 OG SER A 42 -3.652 4.041 6.653 1.00 0.00 O ATOM 0 H SER A 42 -3.558 2.465 5.096 1.00 0.00 H new ATOM 0 HA SER A 42 -1.513 4.327 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.104 2.895 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.717 4.585 7.165 1.00 0.00 H new ATOM 0 HG SER A 42 -4.000 4.254 7.544 1.00 0.00 H new ATOM 707 N LEU A 43 0.670 3.262 5.861 1.00 0.00 N ATOM 708 CA LEU A 43 1.937 2.564 5.986 1.00 0.00 C ATOM 709 C LEU A 43 1.829 1.492 7.024 1.00 0.00 C ATOM 710 O LEU A 43 2.235 0.356 6.795 1.00 0.00 O ATOM 711 CB LEU A 43 3.051 3.524 6.395 1.00 0.00 C ATOM 712 CG LEU A 43 3.387 4.467 5.244 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.343 5.542 5.753 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.075 3.672 4.135 1.00 0.00 C ATOM 0 H LEU A 43 0.701 4.260 6.067 1.00 0.00 H new ATOM 0 HA LEU A 43 2.175 2.128 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.742 4.100 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.938 2.960 6.683 1.00 0.00 H new ATOM 0 HG LEU A 43 2.477 4.928 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.591 6.223 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.867 6.099 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.254 5.073 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.319 4.338 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.990 3.224 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.407 2.886 3.783 1.00 0.00 H new ATOM 726 N GLN A 44 1.205 1.817 8.130 1.00 0.00 N ATOM 727 CA GLN A 44 1.040 0.842 9.164 1.00 0.00 C ATOM 728 C GLN A 44 0.196 -0.306 8.640 1.00 0.00 C ATOM 729 O GLN A 44 0.509 -1.475 8.852 1.00 0.00 O ATOM 730 CB GLN A 44 0.350 1.460 10.378 1.00 0.00 C ATOM 731 CG GLN A 44 0.279 0.430 11.503 1.00 0.00 C ATOM 732 CD GLN A 44 -0.676 0.909 12.573 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.293 1.079 13.725 1.00 0.00 O ATOM 734 NE2 GLN A 44 -1.906 1.144 12.247 1.00 0.00 N ATOM 0 H GLN A 44 0.811 2.736 8.330 1.00 0.00 H new ATOM 0 HA GLN A 44 2.023 0.479 9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.898 2.341 10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.653 1.791 10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.053 -0.531 11.109 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.270 0.274 11.930 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.215 1.000 11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.566 1.474 12.951 1.00 0.00 H new ATOM 743 N LEU A 45 -0.877 0.042 7.947 1.00 0.00 N ATOM 744 CA LEU A 45 -1.785 -0.953 7.415 1.00 0.00 C ATOM 745 C LEU A 45 -1.036 -1.840 6.437 1.00 0.00 C ATOM 746 O LEU A 45 -1.054 -3.067 6.551 1.00 0.00 O ATOM 747 CB LEU A 45 -2.963 -0.253 6.710 1.00 0.00 C ATOM 748 CG LEU A 45 -4.204 -1.163 6.670 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.919 -2.426 5.862 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.620 -1.545 8.096 1.00 0.00 C ATOM 0 H LEU A 45 -1.137 1.007 7.742 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.178 -1.567 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.204 0.674 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.674 0.018 5.695 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.016 -0.617 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.808 -3.056 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.649 -2.152 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.095 -2.973 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.499 -2.189 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.802 -2.075 8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.855 -0.643 8.660 1.00 0.00 H new ATOM 762 N ALA A 46 -0.276 -1.214 5.555 1.00 0.00 N ATOM 763 CA ALA A 46 0.555 -1.958 4.630 1.00 0.00 C ATOM 764 C ALA A 46 1.578 -2.785 5.394 1.00 0.00 C ATOM 765 O ALA A 46 1.788 -3.960 5.089 1.00 0.00 O ATOM 766 CB ALA A 46 1.251 -1.009 3.657 1.00 0.00 C ATOM 0 H ALA A 46 -0.218 -0.200 5.461 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.079 -2.633 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.871 -1.584 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.502 -0.453 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.877 -0.312 4.214 1.00 0.00 H new ATOM 772 N LEU A 47 2.154 -2.199 6.439 1.00 0.00 N ATOM 773 CA LEU A 47 3.088 -2.932 7.285 1.00 0.00 C ATOM 774 C LEU A 47 2.389 -4.101 7.958 1.00 0.00 C ATOM 775 O LEU A 47 2.907 -5.220 7.967 1.00 0.00 O ATOM 776 CB LEU A 47 3.734 -2.015 8.334 1.00 0.00 C ATOM 777 CG LEU A 47 4.716 -1.047 7.653 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.178 0.007 8.660 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.938 -1.824 7.144 1.00 0.00 C ATOM 0 H LEU A 47 1.993 -1.231 6.718 1.00 0.00 H new ATOM 0 HA LEU A 47 3.883 -3.318 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.963 -1.453 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.258 -2.614 9.079 1.00 0.00 H new ATOM 0 HG LEU A 47 4.216 -0.561 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.874 0.692 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.315 0.564 9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.675 -0.483 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.632 -1.135 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.435 -2.312 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.616 -2.578 6.425 1.00 0.00 H new ATOM 791 N LYS A 48 1.170 -3.873 8.432 1.00 0.00 N ATOM 792 CA LYS A 48 0.402 -4.954 9.027 1.00 0.00 C ATOM 793 C LYS A 48 0.175 -6.038 8.004 1.00 0.00 C ATOM 794 O LYS A 48 0.331 -7.231 8.304 1.00 0.00 O ATOM 795 CB LYS A 48 -0.944 -4.454 9.558 1.00 0.00 C ATOM 796 CG LYS A 48 -0.718 -3.587 10.807 1.00 0.00 C ATOM 797 CD LYS A 48 -2.063 -3.077 11.335 1.00 0.00 C ATOM 798 CE LYS A 48 -1.835 -2.236 12.599 1.00 0.00 C ATOM 799 NZ LYS A 48 -1.404 -3.115 13.713 1.00 0.00 N ATOM 0 H LYS A 48 0.701 -2.967 8.416 1.00 0.00 H new ATOM 0 HA LYS A 48 0.971 -5.352 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.457 -3.875 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.587 -5.300 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.211 -4.168 11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.069 -2.745 10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.561 -2.478 10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.720 -3.918 11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.078 -1.475 12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.752 -1.713 12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.511 -2.609 14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.991 -3.973 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.407 -3.380 13.580 1.00 0.00 H new ATOM 813 N ILE A 49 -0.131 -5.632 6.786 1.00 0.00 N ATOM 814 CA ILE A 49 -0.281 -6.587 5.717 1.00 0.00 C ATOM 815 C ILE A 49 1.068 -7.260 5.488 1.00 0.00 C ATOM 816 O ILE A 49 1.165 -8.483 5.398 1.00 0.00 O ATOM 817 CB ILE A 49 -0.732 -5.874 4.426 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.131 -5.296 4.627 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.774 -6.869 3.256 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.517 -4.453 3.405 1.00 0.00 C ATOM 0 H ILE A 49 -0.278 -4.659 6.519 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.035 -7.328 5.983 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.023 -5.077 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.852 -6.101 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.157 -4.683 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.094 -6.353 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.219 -7.291 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.477 -7.670 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.516 -4.040 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.802 -3.639 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.508 -5.080 2.513 1.00 0.00 H new ATOM 832 N ALA A 50 2.112 -6.441 5.445 1.00 0.00 N ATOM 833 CA ALA A 50 3.466 -6.920 5.212 1.00 0.00 C ATOM 834 C ALA A 50 3.909 -7.894 6.284 1.00 0.00 C ATOM 835 O ALA A 50 4.485 -8.932 5.974 1.00 0.00 O ATOM 836 CB ALA A 50 4.450 -5.749 5.131 1.00 0.00 C ATOM 0 H ALA A 50 2.043 -5.431 5.570 1.00 0.00 H new ATOM 0 HA ALA A 50 3.461 -7.447 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.456 -6.131 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.165 -5.090 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.431 -5.192 6.068 1.00 0.00 H new ATOM 842 N TYR A 51 3.663 -7.562 7.547 1.00 0.00 N ATOM 843 CA TYR A 51 4.097 -8.441 8.624 1.00 0.00 C ATOM 844 C TYR A 51 3.459 -9.808 8.490 1.00 0.00 C ATOM 845 O TYR A 51 4.155 -10.823 8.458 1.00 0.00 O ATOM 846 CB TYR A 51 3.772 -7.846 10.000 1.00 0.00 C ATOM 847 CG TYR A 51 4.855 -6.873 10.408 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.106 -7.357 10.807 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.612 -5.498 10.393 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.110 -6.467 11.185 1.00 0.00 C ATOM 851 CE2 TYR A 51 5.618 -4.606 10.775 1.00 0.00 C ATOM 852 CZ TYR A 51 6.866 -5.093 11.172 1.00 0.00 C ATOM 853 OH TYR A 51 7.855 -4.216 11.553 1.00 0.00 O ATOM 0 H TYR A 51 3.179 -6.715 7.844 1.00 0.00 H new ATOM 0 HA TYR A 51 5.179 -8.544 8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.808 -7.338 9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.689 -8.642 10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.294 -8.420 10.822 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.647 -5.124 10.086 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.077 -6.841 11.488 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.431 -3.542 10.763 1.00 0.00 H new ATOM 0 HH TYR A 51 7.521 -3.297 11.485 1.00 0.00 H new ATOM 863 N TYR A 52 2.154 -9.832 8.290 1.00 0.00 N ATOM 864 CA TYR A 52 1.467 -11.093 8.068 1.00 0.00 C ATOM 865 C TYR A 52 1.993 -11.731 6.798 1.00 0.00 C ATOM 866 O TYR A 52 2.301 -12.927 6.755 1.00 0.00 O ATOM 867 CB TYR A 52 -0.052 -10.893 8.003 1.00 0.00 C ATOM 868 CG TYR A 52 -0.747 -12.228 7.815 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.438 -13.300 8.661 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.718 -12.386 6.820 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.091 -14.522 8.513 1.00 0.00 C ATOM 872 CE2 TYR A 52 -2.373 -13.615 6.676 1.00 0.00 C ATOM 873 CZ TYR A 52 -2.058 -14.680 7.524 1.00 0.00 C ATOM 874 OH TYR A 52 -2.696 -15.893 7.385 1.00 0.00 O ATOM 0 H TYR A 52 1.555 -9.007 8.276 1.00 0.00 H new ATOM 0 HA TYR A 52 1.664 -11.759 8.908 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.403 -10.417 8.919 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.303 -10.224 7.180 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.309 -13.179 9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.961 -11.562 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.847 -15.347 9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.123 -13.740 5.909 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.003 -15.997 6.460 1.00 0.00 H new ATOM 884 N LEU A 53 2.137 -10.907 5.779 1.00 0.00 N ATOM 885 CA LEU A 53 2.680 -11.337 4.504 1.00 0.00 C ATOM 886 C LEU A 53 4.131 -11.763 4.613 1.00 0.00 C ATOM 887 O LEU A 53 4.635 -12.480 3.752 1.00 0.00 O ATOM 888 CB LEU A 53 2.494 -10.269 3.430 1.00 0.00 C ATOM 889 CG LEU A 53 1.165 -10.508 2.696 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.353 -11.683 1.759 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.039 -10.843 3.686 1.00 0.00 C ATOM 0 H LEU A 53 1.881 -9.920 5.811 1.00 0.00 H new ATOM 0 HA LEU A 53 2.113 -12.217 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.499 -9.278 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.323 -10.300 2.723 1.00 0.00 H new ATOM 0 HG LEU A 53 0.889 -9.604 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.423 -11.875 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.143 -11.455 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.629 -12.567 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.889 -11.007 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.298 -11.745 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.092 -10.015 4.382 1.00 0.00 H new ATOM 903 N ASN A 54 4.817 -11.286 5.629 1.00 0.00 N ATOM 904 CA ASN A 54 6.218 -11.644 5.821 1.00 0.00 C ATOM 905 C ASN A 54 7.046 -11.246 4.616 1.00 0.00 C ATOM 906 O ASN A 54 8.004 -11.934 4.252 1.00 0.00 O ATOM 907 CB ASN A 54 6.331 -13.159 6.053 1.00 0.00 C ATOM 908 CG ASN A 54 5.978 -13.496 7.490 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.850 -13.457 8.361 1.00 0.00 O ATOM 910 ND2 ASN A 54 4.755 -13.802 7.805 1.00 0.00 N ATOM 0 H ASN A 54 4.437 -10.654 6.333 1.00 0.00 H new ATOM 0 HA ASN A 54 6.600 -11.109 6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.664 -13.689 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.344 -13.494 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.515 -14.010 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.035 -13.834 7.083 1.00 0.00 H new ATOM 917 N THR A 55 6.678 -10.144 3.991 1.00 0.00 N ATOM 918 CA THR A 55 7.383 -9.668 2.815 1.00 0.00 C ATOM 919 C THR A 55 7.524 -8.133 2.854 1.00 0.00 C ATOM 920 O THR A 55 6.857 -7.462 3.650 1.00 0.00 O ATOM 921 CB THR A 55 6.650 -10.161 1.540 1.00 0.00 C ATOM 922 OG1 THR A 55 7.571 -10.335 0.463 1.00 0.00 O ATOM 923 CG2 THR A 55 5.550 -9.179 1.140 1.00 0.00 C ATOM 0 H THR A 55 5.893 -9.560 4.278 1.00 0.00 H new ATOM 0 HA THR A 55 8.394 -10.076 2.799 1.00 0.00 H new ATOM 0 HB THR A 55 6.193 -11.125 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.076 -10.461 -0.373 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.047 -9.542 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.827 -9.092 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.990 -8.202 0.939 1.00 0.00 H new ATOM 931 N PRO A 56 8.403 -7.581 2.046 1.00 0.00 N ATOM 932 CA PRO A 56 8.659 -6.103 1.996 1.00 0.00 C ATOM 933 C PRO A 56 7.414 -5.312 1.600 1.00 0.00 C ATOM 934 O PRO A 56 6.588 -5.780 0.819 1.00 0.00 O ATOM 935 CB PRO A 56 9.757 -5.959 0.931 1.00 0.00 C ATOM 936 CG PRO A 56 10.386 -7.312 0.852 1.00 0.00 C ATOM 937 CD PRO A 56 9.258 -8.301 1.088 1.00 0.00 C ATOM 0 HA PRO A 56 8.946 -5.708 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.340 -5.659 -0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.486 -5.199 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.851 -7.472 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.169 -7.425 1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.726 -8.538 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.623 -9.243 1.497 1.00 0.00 H new ATOM 945 N LEU A 57 7.307 -4.100 2.117 1.00 0.00 N ATOM 946 CA LEU A 57 6.172 -3.234 1.820 1.00 0.00 C ATOM 947 C LEU A 57 6.139 -2.965 0.315 1.00 0.00 C ATOM 948 O LEU A 57 5.079 -3.004 -0.320 1.00 0.00 O ATOM 949 CB LEU A 57 6.324 -1.908 2.591 1.00 0.00 C ATOM 950 CG LEU A 57 4.951 -1.287 2.907 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.087 -1.186 1.648 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.234 -2.147 3.953 1.00 0.00 C ATOM 0 H LEU A 57 7.995 -3.689 2.748 1.00 0.00 H new ATOM 0 HA LEU A 57 5.242 -3.715 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.869 -2.084 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.916 -1.208 2.002 1.00 0.00 H new ATOM 0 HG LEU A 57 5.109 -0.280 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.124 -0.744 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.590 -0.560 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.931 -2.182 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.261 -1.710 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.097 -3.155 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.833 -2.188 4.863 1.00 0.00 H new ATOM 964 N GLU A 58 7.320 -2.762 -0.256 1.00 0.00 N ATOM 965 CA GLU A 58 7.467 -2.528 -1.691 1.00 0.00 C ATOM 966 C GLU A 58 6.972 -3.729 -2.480 1.00 0.00 C ATOM 967 O GLU A 58 6.455 -3.588 -3.599 1.00 0.00 O ATOM 968 CB GLU A 58 8.935 -2.271 -2.036 1.00 0.00 C ATOM 969 CG GLU A 58 9.385 -0.927 -1.451 1.00 0.00 C ATOM 970 CD GLU A 58 10.859 -0.688 -1.727 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.478 -1.517 -2.359 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.352 0.322 -1.302 1.00 0.00 O ATOM 0 H GLU A 58 8.201 -2.755 0.258 1.00 0.00 H new ATOM 0 HA GLU A 58 6.871 -1.654 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.556 -3.075 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.068 -2.268 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.793 -0.120 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.204 -0.914 -0.376 1.00 0.00 H new ATOM 979 N ASP A 59 7.192 -4.912 -1.930 1.00 0.00 N ATOM 980 CA ASP A 59 6.794 -6.145 -2.592 1.00 0.00 C ATOM 981 C ASP A 59 5.299 -6.139 -2.821 1.00 0.00 C ATOM 982 O ASP A 59 4.823 -6.462 -3.909 1.00 0.00 O ATOM 983 CB ASP A 59 7.151 -7.348 -1.703 1.00 0.00 C ATOM 984 CG ASP A 59 7.042 -8.662 -2.461 1.00 0.00 C ATOM 985 OD1 ASP A 59 7.197 -8.658 -3.662 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.824 -9.667 -1.819 1.00 0.00 O ATOM 0 H ASP A 59 7.645 -5.045 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 59 7.316 -6.220 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.166 -7.231 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.487 -7.371 -0.839 1.00 0.00 H new ATOM 991 N ILE A 60 4.572 -5.772 -1.782 1.00 0.00 N ATOM 992 CA ILE A 60 3.117 -5.777 -1.797 1.00 0.00 C ATOM 993 C ILE A 60 2.527 -4.482 -2.347 1.00 0.00 C ATOM 994 O ILE A 60 1.671 -4.515 -3.232 1.00 0.00 O ATOM 995 CB ILE A 60 2.598 -6.076 -0.382 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.211 -5.085 0.618 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.999 -7.494 0.021 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.671 -5.372 2.014 1.00 0.00 C ATOM 0 H ILE A 60 4.974 -5.460 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 60 2.788 -6.562 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 60 1.512 -5.980 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.298 -5.171 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.971 -4.062 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.630 -7.705 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.568 -8.207 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.085 -7.583 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.106 -4.669 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.586 -5.264 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.934 -6.389 2.304 1.00 0.00 H new ATOM 1010 N PHE A 61 3.009 -3.351 -1.864 1.00 0.00 N ATOM 1011 CA PHE A 61 2.548 -2.067 -2.367 1.00 0.00 C ATOM 1012 C PHE A 61 3.690 -1.319 -3.007 1.00 0.00 C ATOM 1013 O PHE A 61 4.605 -0.861 -2.322 1.00 0.00 O ATOM 1014 CB PHE A 61 1.892 -1.233 -1.256 1.00 0.00 C ATOM 1015 CG PHE A 61 0.538 -1.829 -0.925 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.590 -1.439 -1.658 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.411 -2.778 0.098 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.840 -1.991 -1.368 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.843 -3.332 0.387 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.969 -2.938 -0.346 1.00 0.00 C ATOM 0 H PHE A 61 3.714 -3.294 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 61 1.787 -2.250 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.526 -1.223 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.779 -0.198 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.493 -0.710 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.279 -3.082 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.708 -1.686 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.941 -4.063 1.176 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.936 -3.364 -0.123 1.00 0.00 H new