USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 564 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 GLN : amide:sc=-0.00559 K(o=-0.0056,f=-1) USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -3.79! C(o=-8.3!,f=-3.2!) USER MOD Set 2.2: A 23 THR OG1 : rot -92:sc= 0.637 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0869 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.156 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 18 THR OG1 : rot 82:sc= 0.216 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.0112 (180deg=-0.136) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 27:sc= 0.559! USER MOD Single : A 34 SER OG : rot 97:sc= 0.0907 USER MOD Single : A 35 ASN : amide:sc= 0.515 K(o=0.52,f=-0.063) USER MOD Single : A 38 ASN : amide:sc= -5.39! C(o=-5.4!,f=-6.5!) USER MOD Single : A 39 SER OG : rot 118:sc= 0.0407 USER MOD Single : A 42 SER OG : rot -34:sc= 0.748 USER MOD Single : A 45 CYS SG : rot -48:sc= -1.66 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 1.2 (180deg=-0.648) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -158:sc= -0.417 (180deg=-1.58) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 33:sc= 0.416 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.2 K(o=-2.2,f=-6.1!) USER MOD Single : A 74 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.8!) USER MOD Single : A 75 THR OG1 : rot 83:sc= 0.184 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.009 38.109 -10.122 1.00 0.00 N ATOM 2 CA GLY A 1 3.822 37.290 -10.279 1.00 0.00 C ATOM 3 C GLY A 1 3.301 36.763 -8.957 1.00 0.00 C ATOM 4 O GLY A 1 3.812 37.118 -7.895 1.00 0.00 O ATOM 0 H1 GLY A 1 4.827 39.060 -10.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.251 38.179 -9.113 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.801 37.676 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.042 37.876 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.048 36.451 -10.937 1.00 0.00 H new ATOM 8 N SER A 2 2.280 35.915 -9.020 1.00 0.00 N ATOM 9 CA SER A 2 1.685 35.342 -7.818 1.00 0.00 C ATOM 10 C SER A 2 1.558 33.827 -7.943 1.00 0.00 C ATOM 11 O SER A 2 1.510 33.287 -9.048 1.00 0.00 O ATOM 12 CB SER A 2 0.311 35.961 -7.558 1.00 0.00 C ATOM 13 OG SER A 2 -0.631 35.538 -8.529 1.00 0.00 O ATOM 0 H SER A 2 1.847 35.609 -9.891 1.00 0.00 H new ATOM 0 HA SER A 2 2.341 35.565 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.036 35.680 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.390 37.048 -7.572 1.00 0.00 H new ATOM 0 HG SER A 2 -1.502 35.946 -8.340 1.00 0.00 H new ATOM 19 N SER A 3 1.505 33.148 -6.802 1.00 0.00 N ATOM 20 CA SER A 3 1.387 31.694 -6.783 1.00 0.00 C ATOM 21 C SER A 3 0.611 31.229 -5.555 1.00 0.00 C ATOM 22 O SER A 3 0.349 32.008 -4.639 1.00 0.00 O ATOM 23 CB SER A 3 2.774 31.049 -6.799 1.00 0.00 C ATOM 24 OG SER A 3 3.458 31.281 -5.580 1.00 0.00 O ATOM 0 H SER A 3 1.542 33.581 -5.879 1.00 0.00 H new ATOM 0 HA SER A 3 0.841 31.386 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.678 29.976 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.356 31.451 -7.628 1.00 0.00 H new ATOM 0 HG SER A 3 4.341 30.857 -5.615 1.00 0.00 H new ATOM 30 N GLY A 4 0.245 29.950 -5.543 1.00 0.00 N ATOM 31 CA GLY A 4 -0.498 29.401 -4.424 1.00 0.00 C ATOM 32 C GLY A 4 -1.275 28.155 -4.799 1.00 0.00 C ATOM 33 O GLY A 4 -2.472 28.057 -4.529 1.00 0.00 O ATOM 0 H GLY A 4 0.450 29.285 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.193 29.165 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.188 30.155 -4.045 1.00 0.00 H new ATOM 37 N SER A 5 -0.593 27.200 -5.424 1.00 0.00 N ATOM 38 CA SER A 5 -1.228 25.956 -5.841 1.00 0.00 C ATOM 39 C SER A 5 -1.844 25.233 -4.648 1.00 0.00 C ATOM 40 O SER A 5 -1.152 24.895 -3.688 1.00 0.00 O ATOM 41 CB SER A 5 -0.211 25.047 -6.534 1.00 0.00 C ATOM 42 OG SER A 5 -0.814 23.836 -6.958 1.00 0.00 O ATOM 0 H SER A 5 0.399 27.264 -5.652 1.00 0.00 H new ATOM 0 HA SER A 5 -2.024 26.201 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.217 25.564 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.610 24.828 -5.852 1.00 0.00 H new ATOM 0 HG SER A 5 -0.144 23.274 -7.399 1.00 0.00 H new ATOM 48 N SER A 6 -3.151 24.999 -4.715 1.00 0.00 N ATOM 49 CA SER A 6 -3.862 24.319 -3.639 1.00 0.00 C ATOM 50 C SER A 6 -4.617 23.103 -4.169 1.00 0.00 C ATOM 51 O SER A 6 -4.767 22.931 -5.378 1.00 0.00 O ATOM 52 CB SER A 6 -4.837 25.281 -2.957 1.00 0.00 C ATOM 53 OG SER A 6 -5.461 24.668 -1.841 1.00 0.00 O ATOM 0 H SER A 6 -3.739 25.270 -5.503 1.00 0.00 H new ATOM 0 HA SER A 6 -3.127 23.979 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.304 26.175 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.595 25.602 -3.671 1.00 0.00 H new ATOM 0 HG SER A 6 -6.078 25.303 -1.421 1.00 0.00 H new ATOM 59 N GLY A 7 -5.089 22.262 -3.254 1.00 0.00 N ATOM 60 CA GLY A 7 -5.822 21.073 -3.647 1.00 0.00 C ATOM 61 C GLY A 7 -6.088 20.144 -2.480 1.00 0.00 C ATOM 62 O GLY A 7 -5.347 20.143 -1.497 1.00 0.00 O ATOM 0 H GLY A 7 -4.977 22.383 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.770 21.367 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.258 20.539 -4.412 1.00 0.00 H new ATOM 66 N ARG A 8 -7.150 19.351 -2.587 1.00 0.00 N ATOM 67 CA ARG A 8 -7.514 18.415 -1.530 1.00 0.00 C ATOM 68 C ARG A 8 -8.336 17.258 -2.089 1.00 0.00 C ATOM 69 O ARG A 8 -9.207 17.454 -2.937 1.00 0.00 O ATOM 70 CB ARG A 8 -8.303 19.133 -0.433 1.00 0.00 C ATOM 71 CG ARG A 8 -9.609 19.739 -0.920 1.00 0.00 C ATOM 72 CD ARG A 8 -10.456 20.241 0.239 1.00 0.00 C ATOM 73 NE ARG A 8 -11.297 21.371 -0.147 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.863 22.625 -0.202 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.604 22.908 0.101 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.689 23.599 -0.562 1.00 0.00 N ATOM 0 H ARG A 8 -7.773 19.338 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.596 18.013 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.517 18.428 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.682 19.922 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.397 20.563 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.169 18.994 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.085 19.430 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.805 20.538 1.062 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.271 21.187 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.966 22.162 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.273 23.872 0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.658 23.385 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.355 24.562 -0.604 1.00 0.00 H new ATOM 90 N TYR A 9 -8.053 16.052 -1.609 1.00 0.00 N ATOM 91 CA TYR A 9 -8.765 14.862 -2.062 1.00 0.00 C ATOM 92 C TYR A 9 -10.243 15.165 -2.289 1.00 0.00 C ATOM 93 O TYR A 9 -11.020 15.332 -1.348 1.00 0.00 O ATOM 94 CB TYR A 9 -8.614 13.733 -1.042 1.00 0.00 C ATOM 95 CG TYR A 9 -7.211 13.592 -0.497 1.00 0.00 C ATOM 96 CD1 TYR A 9 -6.804 14.308 0.622 1.00 0.00 C ATOM 97 CD2 TYR A 9 -6.292 12.742 -1.101 1.00 0.00 C ATOM 98 CE1 TYR A 9 -5.522 14.183 1.123 1.00 0.00 C ATOM 99 CE2 TYR A 9 -5.009 12.610 -0.607 1.00 0.00 C ATOM 100 CZ TYR A 9 -4.629 13.332 0.505 1.00 0.00 C ATOM 101 OH TYR A 9 -3.352 13.204 1.002 1.00 0.00 O ATOM 0 H TYR A 9 -7.336 15.872 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.328 14.547 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.300 13.909 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.910 12.793 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.501 14.974 1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.586 12.175 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.221 14.748 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.307 11.945 -1.089 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.850 12.566 0.454 1.00 0.00 H new ATOM 111 N PRO A 10 -10.642 15.236 -3.567 1.00 0.00 N ATOM 112 CA PRO A 10 -12.029 15.517 -3.949 1.00 0.00 C ATOM 113 C PRO A 10 -12.967 14.361 -3.618 1.00 0.00 C ATOM 114 O PRO A 10 -14.173 14.439 -3.852 1.00 0.00 O ATOM 115 CB PRO A 10 -11.946 15.721 -5.464 1.00 0.00 C ATOM 116 CG PRO A 10 -10.740 14.953 -5.884 1.00 0.00 C ATOM 117 CD PRO A 10 -9.770 15.047 -4.739 1.00 0.00 C ATOM 0 HA PRO A 10 -12.434 16.374 -3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.843 15.354 -5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.851 16.777 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.993 13.914 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.310 15.369 -6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.166 14.144 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.080 15.881 -4.865 1.00 0.00 H new ATOM 125 N THR A 11 -12.405 13.287 -3.071 1.00 0.00 N ATOM 126 CA THR A 11 -13.191 12.114 -2.709 1.00 0.00 C ATOM 127 C THR A 11 -13.668 12.198 -1.263 1.00 0.00 C ATOM 128 O THR A 11 -12.966 12.717 -0.397 1.00 0.00 O ATOM 129 CB THR A 11 -12.383 10.816 -2.896 1.00 0.00 C ATOM 130 OG1 THR A 11 -11.265 10.801 -2.001 1.00 0.00 O ATOM 131 CG2 THR A 11 -11.892 10.687 -4.330 1.00 0.00 C ATOM 0 H THR A 11 -11.408 13.206 -2.869 1.00 0.00 H new ATOM 0 HA THR A 11 -14.054 12.094 -3.374 1.00 0.00 H new ATOM 0 HB THR A 11 -13.036 9.972 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.758 9.972 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.324 9.763 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.746 10.669 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.253 11.536 -4.574 1.00 0.00 H new ATOM 139 N ASN A 12 -14.867 11.682 -1.010 1.00 0.00 N ATOM 140 CA ASN A 12 -15.438 11.698 0.332 1.00 0.00 C ATOM 141 C ASN A 12 -15.388 10.309 0.961 1.00 0.00 C ATOM 142 O ASN A 12 -14.786 10.117 2.017 1.00 0.00 O ATOM 143 CB ASN A 12 -16.883 12.198 0.287 1.00 0.00 C ATOM 144 CG ASN A 12 -17.352 12.730 1.628 1.00 0.00 C ATOM 145 OD1 ASN A 12 -17.004 13.843 2.023 1.00 0.00 O ATOM 146 ND2 ASN A 12 -18.147 11.935 2.335 1.00 0.00 N ATOM 0 H ASN A 12 -15.461 11.248 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.844 12.376 0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.970 12.984 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.537 11.384 -0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.495 12.239 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.410 11.020 1.969 1.00 0.00 H new ATOM 153 N ASN A 13 -16.023 9.344 0.304 1.00 0.00 N ATOM 154 CA ASN A 13 -16.051 7.973 0.799 1.00 0.00 C ATOM 155 C ASN A 13 -15.160 7.070 -0.049 1.00 0.00 C ATOM 156 O ASN A 13 -15.546 6.645 -1.138 1.00 0.00 O ATOM 157 CB ASN A 13 -17.484 7.438 0.800 1.00 0.00 C ATOM 158 CG ASN A 13 -17.712 6.395 1.878 1.00 0.00 C ATOM 159 OD1 ASN A 13 -16.835 5.581 2.164 1.00 0.00 O ATOM 160 ND2 ASN A 13 -18.895 6.417 2.481 1.00 0.00 N ATOM 0 H ASN A 13 -16.525 9.486 -0.572 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.670 7.974 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.178 8.266 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.707 7.004 -0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.106 5.740 3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.592 7.111 2.211 1.00 0.00 H new ATOM 167 N PHE A 14 -13.966 6.782 0.459 1.00 0.00 N ATOM 168 CA PHE A 14 -13.019 5.930 -0.252 1.00 0.00 C ATOM 169 C PHE A 14 -12.591 4.750 0.617 1.00 0.00 C ATOM 170 O PHE A 14 -11.679 4.867 1.435 1.00 0.00 O ATOM 171 CB PHE A 14 -11.791 6.738 -0.675 1.00 0.00 C ATOM 172 CG PHE A 14 -10.948 7.197 0.480 1.00 0.00 C ATOM 173 CD1 PHE A 14 -11.320 8.301 1.231 1.00 0.00 C ATOM 174 CD2 PHE A 14 -9.784 6.524 0.816 1.00 0.00 C ATOM 175 CE1 PHE A 14 -10.545 8.725 2.294 1.00 0.00 C ATOM 176 CE2 PHE A 14 -9.006 6.944 1.878 1.00 0.00 C ATOM 177 CZ PHE A 14 -9.387 8.045 2.619 1.00 0.00 C ATOM 0 H PHE A 14 -13.631 7.126 1.359 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.514 5.543 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.179 6.131 -1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.117 7.608 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.225 8.836 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.481 5.661 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.845 9.588 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.100 6.411 2.128 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.781 8.374 3.451 1.00 0.00 H new ATOM 187 N GLY A 15 -13.257 3.614 0.432 1.00 0.00 N ATOM 188 CA GLY A 15 -12.932 2.430 1.206 1.00 0.00 C ATOM 189 C GLY A 15 -12.403 1.302 0.343 1.00 0.00 C ATOM 190 O GLY A 15 -12.866 0.166 0.443 1.00 0.00 O ATOM 0 H GLY A 15 -14.015 3.493 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.188 2.686 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.822 2.091 1.737 1.00 0.00 H new ATOM 194 N ASN A 16 -11.431 1.615 -0.507 1.00 0.00 N ATOM 195 CA ASN A 16 -10.839 0.618 -1.393 1.00 0.00 C ATOM 196 C ASN A 16 -9.341 0.855 -1.555 1.00 0.00 C ATOM 197 O ASN A 16 -8.803 1.852 -1.072 1.00 0.00 O ATOM 198 CB ASN A 16 -11.524 0.651 -2.761 1.00 0.00 C ATOM 199 CG ASN A 16 -12.973 1.089 -2.672 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.745 0.411 -1.830 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.393 2.025 -3.352 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.036 2.551 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.986 -0.364 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.982 1.330 -3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.474 -0.339 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.764 2.518 -3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.370 2.308 -3.282 1.00 0.00 H new ATOM 208 N CYS A 17 -8.672 -0.068 -2.238 1.00 0.00 N ATOM 209 CA CYS A 17 -7.236 0.040 -2.466 1.00 0.00 C ATOM 210 C CYS A 17 -6.907 1.285 -3.284 1.00 0.00 C ATOM 211 O CYS A 17 -7.766 1.835 -3.973 1.00 0.00 O ATOM 212 CB CYS A 17 -6.718 -1.208 -3.184 1.00 0.00 C ATOM 213 SG CYS A 17 -4.901 -1.317 -3.267 1.00 0.00 S ATOM 0 H CYS A 17 -9.102 -0.900 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.744 0.124 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.102 -2.092 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.119 -1.224 -4.197 1.00 0.00 H new ATOM 218 N THR A 18 -5.655 1.725 -3.203 1.00 0.00 N ATOM 219 CA THR A 18 -5.211 2.905 -3.935 1.00 0.00 C ATOM 220 C THR A 18 -4.463 2.516 -5.204 1.00 0.00 C ATOM 221 O THR A 18 -3.936 3.372 -5.914 1.00 0.00 O ATOM 222 CB THR A 18 -4.299 3.794 -3.067 1.00 0.00 C ATOM 223 OG1 THR A 18 -4.924 4.051 -1.805 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.000 5.110 -3.769 1.00 0.00 C ATOM 0 H THR A 18 -4.931 1.282 -2.638 1.00 0.00 H new ATOM 0 HA THR A 18 -6.106 3.466 -4.202 1.00 0.00 H new ATOM 0 HB THR A 18 -3.359 3.266 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.776 3.290 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.355 5.721 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.498 4.911 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.933 5.642 -3.957 1.00 0.00 H new ATOM 232 N GLY A 19 -4.420 1.217 -5.486 1.00 0.00 N ATOM 233 CA GLY A 19 -3.734 0.737 -6.672 1.00 0.00 C ATOM 234 C GLY A 19 -4.655 -0.020 -7.608 1.00 0.00 C ATOM 235 O GLY A 19 -4.808 0.349 -8.773 1.00 0.00 O ATOM 0 H GLY A 19 -4.848 0.489 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.297 1.583 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.911 0.088 -6.374 1.00 0.00 H new ATOM 239 N CYS A 20 -5.268 -1.083 -7.100 1.00 0.00 N ATOM 240 CA CYS A 20 -6.178 -1.896 -7.899 1.00 0.00 C ATOM 241 C CYS A 20 -7.631 -1.592 -7.547 1.00 0.00 C ATOM 242 O CYS A 20 -8.540 -2.328 -7.931 1.00 0.00 O ATOM 243 CB CYS A 20 -5.889 -3.383 -7.682 1.00 0.00 C ATOM 244 SG CYS A 20 -6.097 -3.938 -5.960 1.00 0.00 S ATOM 0 H CYS A 20 -5.152 -1.402 -6.138 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.019 -1.651 -8.949 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.549 -3.968 -8.323 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.868 -3.594 -7.999 1.00 0.00 H new ATOM 249 N SER A 21 -7.841 -0.504 -6.813 1.00 0.00 N ATOM 250 CA SER A 21 -9.183 -0.104 -6.406 1.00 0.00 C ATOM 251 C SER A 21 -9.993 -1.312 -5.944 1.00 0.00 C ATOM 252 O SER A 21 -11.211 -1.358 -6.114 1.00 0.00 O ATOM 253 CB SER A 21 -9.902 0.595 -7.561 1.00 0.00 C ATOM 254 OG SER A 21 -9.322 1.859 -7.833 1.00 0.00 O ATOM 0 H SER A 21 -7.099 0.116 -6.488 1.00 0.00 H new ATOM 0 HA SER A 21 -9.091 0.591 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.856 -0.029 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.956 0.721 -7.314 1.00 0.00 H new ATOM 0 HG SER A 21 -9.798 2.284 -8.576 1.00 0.00 H new ATOM 260 N ALA A 22 -9.307 -2.288 -5.359 1.00 0.00 N ATOM 261 CA ALA A 22 -9.961 -3.495 -4.870 1.00 0.00 C ATOM 262 C ALA A 22 -10.538 -3.280 -3.474 1.00 0.00 C ATOM 263 O ALA A 22 -9.816 -3.331 -2.478 1.00 0.00 O ATOM 264 CB ALA A 22 -8.983 -4.660 -4.865 1.00 0.00 C ATOM 0 H ALA A 22 -8.298 -2.266 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.785 -3.730 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.485 -5.555 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.622 -4.837 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.140 -4.424 -4.216 1.00 0.00 H new ATOM 270 N THR A 23 -11.843 -3.039 -3.409 1.00 0.00 N ATOM 271 CA THR A 23 -12.516 -2.815 -2.136 1.00 0.00 C ATOM 272 C THR A 23 -12.195 -3.924 -1.141 1.00 0.00 C ATOM 273 O THR A 23 -11.975 -5.072 -1.526 1.00 0.00 O ATOM 274 CB THR A 23 -14.044 -2.729 -2.315 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.362 -1.820 -3.376 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.715 -2.270 -1.030 1.00 0.00 C ATOM 0 H THR A 23 -12.455 -2.994 -4.223 1.00 0.00 H new ATOM 0 HA THR A 23 -12.149 -1.865 -1.748 1.00 0.00 H new ATOM 0 HB THR A 23 -14.415 -3.723 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.502 -0.923 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.793 -2.217 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.495 -2.979 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.338 -1.285 -0.755 1.00 0.00 H new ATOM 284 N PHE A 24 -12.170 -3.574 0.141 1.00 0.00 N ATOM 285 CA PHE A 24 -11.875 -4.541 1.192 1.00 0.00 C ATOM 286 C PHE A 24 -13.160 -5.063 1.826 1.00 0.00 C ATOM 287 O PHE A 24 -13.256 -5.188 3.047 1.00 0.00 O ATOM 288 CB PHE A 24 -10.985 -3.906 2.263 1.00 0.00 C ATOM 289 CG PHE A 24 -9.884 -3.054 1.699 1.00 0.00 C ATOM 290 CD1 PHE A 24 -10.103 -1.716 1.412 1.00 0.00 C ATOM 291 CD2 PHE A 24 -8.629 -3.590 1.458 1.00 0.00 C ATOM 292 CE1 PHE A 24 -9.092 -0.930 0.893 1.00 0.00 C ATOM 293 CE2 PHE A 24 -7.614 -2.809 0.939 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.845 -1.477 0.658 1.00 0.00 C ATOM 0 H PHE A 24 -12.350 -2.628 0.477 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.346 -5.381 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.603 -3.297 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.546 -4.695 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.075 -1.283 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.442 -4.631 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.276 0.111 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.641 -3.240 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.052 -0.864 0.255 1.00 0.00 H new ATOM 304 N SER A 25 -14.146 -5.367 0.988 1.00 0.00 N ATOM 305 CA SER A 25 -15.428 -5.872 1.466 1.00 0.00 C ATOM 306 C SER A 25 -15.492 -7.391 1.345 1.00 0.00 C ATOM 307 O SER A 25 -15.838 -8.088 2.300 1.00 0.00 O ATOM 308 CB SER A 25 -16.576 -5.237 0.679 1.00 0.00 C ATOM 309 OG SER A 25 -16.999 -4.026 1.281 1.00 0.00 O ATOM 0 H SER A 25 -14.082 -5.272 -0.026 1.00 0.00 H new ATOM 0 HA SER A 25 -15.527 -5.604 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.256 -5.045 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.414 -5.933 0.627 1.00 0.00 H new ATOM 0 HG SER A 25 -17.732 -3.639 0.758 1.00 0.00 H new ATOM 315 N VAL A 26 -15.156 -7.900 0.164 1.00 0.00 N ATOM 316 CA VAL A 26 -15.174 -9.336 -0.083 1.00 0.00 C ATOM 317 C VAL A 26 -14.140 -10.055 0.777 1.00 0.00 C ATOM 318 O VAL A 26 -13.078 -10.447 0.292 1.00 0.00 O ATOM 319 CB VAL A 26 -14.903 -9.654 -1.566 1.00 0.00 C ATOM 320 CG1 VAL A 26 -14.923 -11.157 -1.802 1.00 0.00 C ATOM 321 CG2 VAL A 26 -15.918 -8.952 -2.455 1.00 0.00 C ATOM 0 H VAL A 26 -14.868 -7.338 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 26 -16.171 -9.690 0.181 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.911 -9.283 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.730 -11.363 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.154 -11.631 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.900 -11.555 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.712 -9.188 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -16.922 -9.290 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.849 -7.874 -2.306 1.00 0.00 H new ATOM 331 N LEU A 27 -14.458 -10.226 2.055 1.00 0.00 N ATOM 332 CA LEU A 27 -13.557 -10.898 2.984 1.00 0.00 C ATOM 333 C LEU A 27 -12.100 -10.628 2.622 1.00 0.00 C ATOM 334 O LEU A 27 -11.260 -11.527 2.666 1.00 0.00 O ATOM 335 CB LEU A 27 -13.823 -12.405 2.983 1.00 0.00 C ATOM 336 CG LEU A 27 -14.200 -13.019 1.634 1.00 0.00 C ATOM 337 CD1 LEU A 27 -13.771 -14.476 1.572 1.00 0.00 C ATOM 338 CD2 LEU A 27 -15.697 -12.891 1.390 1.00 0.00 C ATOM 0 H LEU A 27 -15.333 -9.909 2.472 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.744 -10.502 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.932 -12.911 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.625 -12.613 3.691 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.676 -12.474 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.048 -14.896 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.691 -14.543 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.267 -15.035 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.948 -13.333 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.240 -13.411 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.977 -11.838 1.390 1.00 0.00 H new ATOM 350 N LYS A 28 -11.806 -9.382 2.267 1.00 0.00 N ATOM 351 CA LYS A 28 -10.450 -8.990 1.901 1.00 0.00 C ATOM 352 C LYS A 28 -9.850 -8.061 2.952 1.00 0.00 C ATOM 353 O LYS A 28 -10.290 -6.923 3.114 1.00 0.00 O ATOM 354 CB LYS A 28 -10.448 -8.300 0.535 1.00 0.00 C ATOM 355 CG LYS A 28 -9.077 -8.247 -0.117 1.00 0.00 C ATOM 356 CD LYS A 28 -9.033 -7.224 -1.240 1.00 0.00 C ATOM 357 CE LYS A 28 -8.033 -7.619 -2.315 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.522 -8.763 -3.134 1.00 0.00 N ATOM 0 H LYS A 28 -12.489 -8.626 2.225 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.840 -9.892 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.137 -8.823 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.826 -7.284 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.326 -7.998 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.822 -9.231 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.024 -7.125 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.766 -6.248 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.840 -6.764 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.085 -7.885 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.972 -8.820 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.409 -9.647 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.527 -8.622 -3.362 1.00 0.00 H new ATOM 372 N LYS A 29 -8.841 -8.553 3.662 1.00 0.00 N ATOM 373 CA LYS A 29 -8.177 -7.767 4.696 1.00 0.00 C ATOM 374 C LYS A 29 -7.549 -6.509 4.104 1.00 0.00 C ATOM 375 O LYS A 29 -6.869 -6.567 3.080 1.00 0.00 O ATOM 376 CB LYS A 29 -7.104 -8.606 5.393 1.00 0.00 C ATOM 377 CG LYS A 29 -6.052 -9.158 4.446 1.00 0.00 C ATOM 378 CD LYS A 29 -6.434 -10.535 3.929 1.00 0.00 C ATOM 379 CE LYS A 29 -5.206 -11.395 3.674 1.00 0.00 C ATOM 380 NZ LYS A 29 -5.526 -12.584 2.837 1.00 0.00 N ATOM 0 H LYS A 29 -8.464 -9.493 3.541 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.927 -7.467 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.614 -7.996 6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.584 -9.435 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.924 -8.476 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.092 -9.215 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.082 -11.030 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.006 -10.433 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.441 -10.798 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.788 -11.723 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.663 -13.145 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.238 -13.168 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.901 -12.271 1.919 1.00 0.00 H new ATOM 394 N ARG A 30 -7.782 -5.375 4.756 1.00 0.00 N ATOM 395 CA ARG A 30 -7.238 -4.103 4.293 1.00 0.00 C ATOM 396 C ARG A 30 -5.900 -3.807 4.965 1.00 0.00 C ATOM 397 O ARG A 30 -5.801 -3.789 6.192 1.00 0.00 O ATOM 398 CB ARG A 30 -8.225 -2.969 4.577 1.00 0.00 C ATOM 399 CG ARG A 30 -7.678 -1.589 4.252 1.00 0.00 C ATOM 400 CD ARG A 30 -8.783 -0.546 4.212 1.00 0.00 C ATOM 401 NE ARG A 30 -8.303 0.776 4.605 1.00 0.00 N ATOM 402 CZ ARG A 30 -8.185 1.169 5.869 1.00 0.00 C ATOM 403 NH1 ARG A 30 -8.510 0.345 6.856 1.00 0.00 N ATOM 404 NH2 ARG A 30 -7.740 2.387 6.147 1.00 0.00 N ATOM 0 H ARG A 30 -8.343 -5.310 5.605 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.077 -4.175 3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.133 -3.136 3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.508 -3.000 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.936 -1.306 4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.167 -1.616 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.198 -0.496 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.592 -0.850 4.876 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.044 1.433 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.851 -0.593 6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.418 0.649 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.488 3.023 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.650 2.688 7.117 1.00 0.00 H new ATOM 418 N ARG A 31 -4.875 -3.577 4.152 1.00 0.00 N ATOM 419 CA ARG A 31 -3.542 -3.284 4.667 1.00 0.00 C ATOM 420 C ARG A 31 -3.292 -1.779 4.702 1.00 0.00 C ATOM 421 O ARG A 31 -4.126 -0.990 4.257 1.00 0.00 O ATOM 422 CB ARG A 31 -2.478 -3.968 3.807 1.00 0.00 C ATOM 423 CG ARG A 31 -2.064 -5.336 4.325 1.00 0.00 C ATOM 424 CD ARG A 31 -2.914 -6.442 3.720 1.00 0.00 C ATOM 425 NE ARG A 31 -2.783 -7.697 4.454 1.00 0.00 N ATOM 426 CZ ARG A 31 -3.256 -7.884 5.681 1.00 0.00 C ATOM 427 NH1 ARG A 31 -3.888 -6.901 6.308 1.00 0.00 N ATOM 428 NH2 ARG A 31 -3.097 -9.055 6.284 1.00 0.00 N ATOM 0 H ARG A 31 -4.941 -3.588 3.134 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.480 -3.670 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.857 -4.073 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.598 -3.327 3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.014 -5.513 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.156 -5.358 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.959 -6.133 3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.621 -6.597 2.682 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.302 -8.473 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.012 -5.999 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.250 -7.047 7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.611 -9.813 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.461 -9.197 7.226 1.00 0.00 H new ATOM 442 N SER A 32 -2.139 -1.388 5.235 1.00 0.00 N ATOM 443 CA SER A 32 -1.781 0.022 5.333 1.00 0.00 C ATOM 444 C SER A 32 -0.294 0.224 5.060 1.00 0.00 C ATOM 445 O SER A 32 0.559 -0.337 5.748 1.00 0.00 O ATOM 446 CB SER A 32 -2.135 0.565 6.719 1.00 0.00 C ATOM 447 OG SER A 32 -1.249 0.063 7.705 1.00 0.00 O ATOM 0 H SER A 32 -1.437 -2.028 5.606 1.00 0.00 H new ATOM 0 HA SER A 32 -2.349 0.569 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.093 1.654 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.159 0.288 6.971 1.00 0.00 H new ATOM 0 HG SER A 32 -0.389 -0.158 7.290 1.00 0.00 H new ATOM 453 N CYS A 33 0.011 1.032 4.049 1.00 0.00 N ATOM 454 CA CYS A 33 1.394 1.310 3.682 1.00 0.00 C ATOM 455 C CYS A 33 2.184 1.819 4.885 1.00 0.00 C ATOM 456 O CYS A 33 1.608 2.283 5.868 1.00 0.00 O ATOM 457 CB CYS A 33 1.446 2.340 2.551 1.00 0.00 C ATOM 458 SG CYS A 33 3.108 2.585 1.846 1.00 0.00 S ATOM 0 H CYS A 33 -0.682 1.506 3.470 1.00 0.00 H new ATOM 0 HA CYS A 33 1.847 0.380 3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.768 2.027 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.077 3.295 2.926 1.00 0.00 H new ATOM 463 N SER A 34 3.507 1.727 4.798 1.00 0.00 N ATOM 464 CA SER A 34 4.377 2.174 5.879 1.00 0.00 C ATOM 465 C SER A 34 5.017 3.518 5.542 1.00 0.00 C ATOM 466 O SER A 34 5.368 4.291 6.432 1.00 0.00 O ATOM 467 CB SER A 34 5.465 1.133 6.151 1.00 0.00 C ATOM 468 OG SER A 34 4.995 0.121 7.025 1.00 0.00 O ATOM 0 H SER A 34 4.000 1.347 3.990 1.00 0.00 H new ATOM 0 HA SER A 34 3.768 2.295 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.788 0.685 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.337 1.619 6.588 1.00 0.00 H new ATOM 0 HG SER A 34 4.702 -0.654 6.501 1.00 0.00 H new ATOM 474 N ASN A 35 5.164 3.788 4.249 1.00 0.00 N ATOM 475 CA ASN A 35 5.761 5.038 3.793 1.00 0.00 C ATOM 476 C ASN A 35 4.705 6.131 3.665 1.00 0.00 C ATOM 477 O ASN A 35 4.654 7.058 4.473 1.00 0.00 O ATOM 478 CB ASN A 35 6.463 4.831 2.449 1.00 0.00 C ATOM 479 CG ASN A 35 6.929 6.136 1.833 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.491 6.992 2.517 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.698 6.294 0.535 1.00 0.00 N ATOM 0 H ASN A 35 4.878 3.159 3.499 1.00 0.00 H new ATOM 0 HA ASN A 35 6.495 5.353 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.320 4.171 2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.783 4.330 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.990 7.151 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.229 5.558 0.007 1.00 0.00 H new ATOM 488 N CYS A 36 3.863 6.015 2.644 1.00 0.00 N ATOM 489 CA CYS A 36 2.807 6.993 2.408 1.00 0.00 C ATOM 490 C CYS A 36 1.745 6.920 3.502 1.00 0.00 C ATOM 491 O CYS A 36 1.246 7.945 3.966 1.00 0.00 O ATOM 492 CB CYS A 36 2.162 6.758 1.041 1.00 0.00 C ATOM 493 SG CYS A 36 1.171 5.234 0.937 1.00 0.00 S ATOM 0 H CYS A 36 3.891 5.253 1.966 1.00 0.00 H new ATOM 0 HA CYS A 36 3.255 7.986 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.525 7.609 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.945 6.722 0.283 1.00 0.00 H new ATOM 498 N GLY A 37 1.406 5.701 3.910 1.00 0.00 N ATOM 499 CA GLY A 37 0.406 5.517 4.946 1.00 0.00 C ATOM 500 C GLY A 37 -1.002 5.453 4.389 1.00 0.00 C ATOM 501 O GLY A 37 -1.946 5.938 5.011 1.00 0.00 O ATOM 0 H GLY A 37 1.806 4.838 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.619 4.599 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.473 6.337 5.661 1.00 0.00 H new ATOM 505 N ASN A 38 -1.143 4.853 3.211 1.00 0.00 N ATOM 506 CA ASN A 38 -2.446 4.729 2.568 1.00 0.00 C ATOM 507 C ASN A 38 -2.951 3.291 2.634 1.00 0.00 C ATOM 508 O ASN A 38 -2.208 2.378 2.995 1.00 0.00 O ATOM 509 CB ASN A 38 -2.364 5.186 1.110 1.00 0.00 C ATOM 510 CG ASN A 38 -1.519 6.434 0.942 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.340 7.208 1.882 1.00 0.00 O ATOM 512 ND2 ASN A 38 -0.993 6.634 -0.261 1.00 0.00 N ATOM 0 H ASN A 38 -0.371 4.445 2.683 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.149 5.367 3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.946 4.383 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.369 5.378 0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.414 7.456 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.168 5.966 -1.012 1.00 0.00 H new ATOM 519 N SER A 39 -4.218 3.097 2.282 1.00 0.00 N ATOM 520 CA SER A 39 -4.823 1.770 2.304 1.00 0.00 C ATOM 521 C SER A 39 -4.447 0.981 1.054 1.00 0.00 C ATOM 522 O SER A 39 -4.344 1.538 -0.039 1.00 0.00 O ATOM 523 CB SER A 39 -6.345 1.883 2.411 1.00 0.00 C ATOM 524 OG SER A 39 -6.891 2.521 1.270 1.00 0.00 O ATOM 0 H SER A 39 -4.845 3.842 1.978 1.00 0.00 H new ATOM 0 HA SER A 39 -4.443 1.238 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.780 0.889 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.609 2.445 3.307 1.00 0.00 H new ATOM 0 HG SER A 39 -7.499 1.905 0.810 1.00 0.00 H new ATOM 530 N PHE A 40 -4.243 -0.321 1.223 1.00 0.00 N ATOM 531 CA PHE A 40 -3.877 -1.189 0.110 1.00 0.00 C ATOM 532 C PHE A 40 -4.288 -2.632 0.387 1.00 0.00 C ATOM 533 O PHE A 40 -4.496 -3.021 1.537 1.00 0.00 O ATOM 534 CB PHE A 40 -2.370 -1.117 -0.147 1.00 0.00 C ATOM 535 CG PHE A 40 -1.926 0.187 -0.746 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.103 0.441 -2.096 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.332 1.160 0.042 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.696 1.640 -2.650 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.923 2.361 -0.506 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.104 2.601 -1.854 1.00 0.00 C ATOM 0 H PHE A 40 -4.325 -0.799 2.121 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.407 -0.843 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.841 -1.275 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.084 -1.930 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.565 -0.307 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.187 0.978 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.841 1.825 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.462 3.111 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.783 3.538 -2.285 1.00 0.00 H new ATOM 550 N CYS A 41 -4.404 -3.423 -0.675 1.00 0.00 N ATOM 551 CA CYS A 41 -4.791 -4.822 -0.548 1.00 0.00 C ATOM 552 C CYS A 41 -3.589 -5.688 -0.181 1.00 0.00 C ATOM 553 O CYS A 41 -2.492 -5.180 0.049 1.00 0.00 O ATOM 554 CB CYS A 41 -5.413 -5.321 -1.854 1.00 0.00 C ATOM 555 SG CYS A 41 -4.298 -5.229 -3.291 1.00 0.00 S ATOM 0 H CYS A 41 -4.235 -3.118 -1.634 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.529 -4.898 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.732 -6.355 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.308 -4.736 -2.064 1.00 0.00 H new ATOM 560 N SER A 42 -3.805 -6.999 -0.129 1.00 0.00 N ATOM 561 CA SER A 42 -2.741 -7.935 0.214 1.00 0.00 C ATOM 562 C SER A 42 -1.873 -8.240 -1.004 1.00 0.00 C ATOM 563 O SER A 42 -0.928 -9.024 -0.925 1.00 0.00 O ATOM 564 CB SER A 42 -3.334 -9.232 0.769 1.00 0.00 C ATOM 565 OG SER A 42 -2.315 -10.169 1.073 1.00 0.00 O ATOM 0 H SER A 42 -4.707 -7.436 -0.320 1.00 0.00 H new ATOM 0 HA SER A 42 -2.116 -7.473 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.913 -9.016 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.022 -9.662 0.041 1.00 0.00 H new ATOM 0 HG SER A 42 -1.583 -10.077 0.428 1.00 0.00 H new ATOM 571 N ARG A 43 -2.201 -7.613 -2.128 1.00 0.00 N ATOM 572 CA ARG A 43 -1.453 -7.816 -3.363 1.00 0.00 C ATOM 573 C ARG A 43 -0.602 -6.593 -3.691 1.00 0.00 C ATOM 574 O ARG A 43 0.403 -6.694 -4.396 1.00 0.00 O ATOM 575 CB ARG A 43 -2.409 -8.111 -4.521 1.00 0.00 C ATOM 576 CG ARG A 43 -2.933 -9.538 -4.530 1.00 0.00 C ATOM 577 CD ARG A 43 -1.969 -10.480 -5.233 1.00 0.00 C ATOM 578 NE ARG A 43 -2.060 -10.372 -6.687 1.00 0.00 N ATOM 579 CZ ARG A 43 -1.624 -11.308 -7.522 1.00 0.00 C ATOM 580 NH1 ARG A 43 -1.071 -12.417 -7.051 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.742 -11.136 -8.833 1.00 0.00 N ATOM 0 H ARG A 43 -2.980 -6.960 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.791 -8.670 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.253 -7.423 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.897 -7.915 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.091 -9.875 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.902 -9.568 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.950 -10.258 -4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.180 -11.506 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.482 -9.532 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.979 -12.553 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.737 -13.134 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.168 -10.285 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.407 -11.855 -9.474 1.00 0.00 H new ATOM 595 N CYS A 44 -1.010 -5.439 -3.175 1.00 0.00 N ATOM 596 CA CYS A 44 -0.287 -4.196 -3.413 1.00 0.00 C ATOM 597 C CYS A 44 0.607 -3.851 -2.225 1.00 0.00 C ATOM 598 O CYS A 44 1.664 -3.240 -2.387 1.00 0.00 O ATOM 599 CB CYS A 44 -1.268 -3.052 -3.677 1.00 0.00 C ATOM 600 SG CYS A 44 -2.225 -3.233 -5.216 1.00 0.00 S ATOM 0 H CYS A 44 -1.839 -5.339 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 44 0.343 -4.334 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.960 -2.980 -2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.714 -2.114 -3.714 1.00 0.00 H new ATOM 605 N CYS A 45 0.175 -4.246 -1.033 1.00 0.00 N ATOM 606 CA CYS A 45 0.934 -3.978 0.183 1.00 0.00 C ATOM 607 C CYS A 45 1.809 -5.172 0.551 1.00 0.00 C ATOM 608 O CYS A 45 1.911 -5.542 1.721 1.00 0.00 O ATOM 609 CB CYS A 45 -0.012 -3.647 1.338 1.00 0.00 C ATOM 610 SG CYS A 45 0.828 -3.192 2.873 1.00 0.00 S ATOM 0 H CYS A 45 -0.697 -4.753 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 45 1.581 -3.120 -0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.664 -2.827 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.652 -4.509 1.528 1.00 0.00 H new ATOM 0 HG CYS A 45 1.766 -4.056 3.127 1.00 0.00 H new ATOM 616 N SER A 46 2.436 -5.772 -0.455 1.00 0.00 N ATOM 617 CA SER A 46 3.298 -6.928 -0.238 1.00 0.00 C ATOM 618 C SER A 46 4.715 -6.650 -0.731 1.00 0.00 C ATOM 619 O SER A 46 5.340 -7.497 -1.369 1.00 0.00 O ATOM 620 CB SER A 46 2.729 -8.156 -0.951 1.00 0.00 C ATOM 621 OG SER A 46 3.076 -9.349 -0.269 1.00 0.00 O ATOM 0 H SER A 46 2.363 -5.477 -1.429 1.00 0.00 H new ATOM 0 HA SER A 46 3.337 -7.125 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.644 -8.073 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.107 -8.195 -1.973 1.00 0.00 H new ATOM 0 HG SER A 46 2.699 -10.119 -0.744 1.00 0.00 H new ATOM 627 N PHE A 47 5.216 -5.457 -0.429 1.00 0.00 N ATOM 628 CA PHE A 47 6.558 -5.065 -0.842 1.00 0.00 C ATOM 629 C PHE A 47 7.388 -4.620 0.359 1.00 0.00 C ATOM 630 O PHE A 47 7.058 -3.641 1.028 1.00 0.00 O ATOM 631 CB PHE A 47 6.489 -3.938 -1.874 1.00 0.00 C ATOM 632 CG PHE A 47 5.917 -4.368 -3.194 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.735 -4.897 -4.179 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.561 -4.244 -3.450 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.211 -5.293 -5.395 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.031 -4.639 -4.665 1.00 0.00 C ATOM 637 CZ PHE A 47 4.858 -5.165 -5.638 1.00 0.00 C ATOM 0 H PHE A 47 4.713 -4.745 0.100 1.00 0.00 H new ATOM 0 HA PHE A 47 7.040 -5.932 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.884 -3.125 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.491 -3.541 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.794 -5.001 -3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.910 -3.834 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.860 -5.703 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.972 -4.536 -4.852 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.447 -5.476 -6.587 1.00 0.00 H new ATOM 647 N LYS A 48 8.468 -5.347 0.626 1.00 0.00 N ATOM 648 CA LYS A 48 9.347 -5.030 1.745 1.00 0.00 C ATOM 649 C LYS A 48 10.430 -4.042 1.322 1.00 0.00 C ATOM 650 O LYS A 48 11.126 -4.255 0.330 1.00 0.00 O ATOM 651 CB LYS A 48 9.991 -6.305 2.292 1.00 0.00 C ATOM 652 CG LYS A 48 9.001 -7.256 2.942 1.00 0.00 C ATOM 653 CD LYS A 48 9.693 -8.492 3.491 1.00 0.00 C ATOM 654 CE LYS A 48 10.151 -8.283 4.927 1.00 0.00 C ATOM 655 NZ LYS A 48 9.000 -8.143 5.861 1.00 0.00 N ATOM 0 H LYS A 48 8.755 -6.160 0.082 1.00 0.00 H new ATOM 0 HA LYS A 48 8.745 -4.570 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.499 -6.823 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.753 -6.033 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.478 -6.742 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.248 -7.553 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.012 -9.342 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.552 -8.737 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.770 -9.125 5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.775 -7.391 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.099 -7.262 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.113 -8.117 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.982 -8.952 6.514 1.00 0.00 H new ATOM 669 N VAL A 49 10.568 -2.960 2.083 1.00 0.00 N ATOM 670 CA VAL A 49 11.568 -1.941 1.789 1.00 0.00 C ATOM 671 C VAL A 49 12.146 -1.352 3.071 1.00 0.00 C ATOM 672 O VAL A 49 11.490 -1.302 4.111 1.00 0.00 O ATOM 673 CB VAL A 49 10.975 -0.803 0.936 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.369 -1.355 -0.345 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.940 -0.024 1.734 1.00 0.00 C ATOM 0 H VAL A 49 9.999 -2.767 2.908 1.00 0.00 H new ATOM 0 HA VAL A 49 12.363 -2.431 1.227 1.00 0.00 H new ATOM 0 HB VAL A 49 11.779 -0.120 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.955 -0.536 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.141 -1.864 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.576 -2.061 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.531 0.776 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.136 -0.694 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.410 0.405 2.619 1.00 0.00 H new ATOM 685 N PRO A 50 13.405 -0.896 2.997 1.00 0.00 N ATOM 686 CA PRO A 50 14.100 -0.301 4.142 1.00 0.00 C ATOM 687 C PRO A 50 13.526 1.058 4.527 1.00 0.00 C ATOM 688 O PRO A 50 13.297 1.912 3.670 1.00 0.00 O ATOM 689 CB PRO A 50 15.540 -0.152 3.644 1.00 0.00 C ATOM 690 CG PRO A 50 15.421 -0.063 2.162 1.00 0.00 C ATOM 691 CD PRO A 50 14.247 -0.924 1.789 1.00 0.00 C ATOM 0 HA PRO A 50 14.006 -0.913 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.012 0.739 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.152 -1.004 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.266 0.968 1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.332 -0.413 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.718 -0.529 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.556 -1.939 1.538 1.00 0.00 H new ATOM 699 N LYS A 51 13.295 1.253 5.821 1.00 0.00 N ATOM 700 CA LYS A 51 12.749 2.509 6.321 1.00 0.00 C ATOM 701 C LYS A 51 13.863 3.512 6.605 1.00 0.00 C ATOM 702 O LYS A 51 13.825 4.228 7.605 1.00 0.00 O ATOM 703 CB LYS A 51 11.932 2.264 7.591 1.00 0.00 C ATOM 704 CG LYS A 51 12.694 1.509 8.668 1.00 0.00 C ATOM 705 CD LYS A 51 12.062 1.701 10.036 1.00 0.00 C ATOM 706 CE LYS A 51 10.852 0.799 10.224 1.00 0.00 C ATOM 707 NZ LYS A 51 10.426 0.731 11.649 1.00 0.00 N ATOM 0 H LYS A 51 13.478 0.556 6.543 1.00 0.00 H new ATOM 0 HA LYS A 51 12.098 2.925 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.605 3.223 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.034 1.704 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.717 0.447 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.728 1.853 8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.799 1.489 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.763 2.742 10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.026 1.168 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.088 -0.204 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.599 0.106 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.205 0.355 12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.176 1.684 11.983 1.00 0.00 H new ATOM 721 N SER A 52 14.852 3.558 5.718 1.00 0.00 N ATOM 722 CA SER A 52 15.977 4.471 5.875 1.00 0.00 C ATOM 723 C SER A 52 16.036 5.464 4.718 1.00 0.00 C ATOM 724 O SER A 52 16.103 6.676 4.928 1.00 0.00 O ATOM 725 CB SER A 52 17.289 3.689 5.958 1.00 0.00 C ATOM 726 OG SER A 52 18.405 4.542 5.771 1.00 0.00 O ATOM 0 H SER A 52 14.897 2.973 4.883 1.00 0.00 H new ATOM 0 HA SER A 52 15.835 5.027 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.362 3.197 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.297 2.904 5.202 1.00 0.00 H new ATOM 0 HG SER A 52 19.231 4.018 5.830 1.00 0.00 H new ATOM 732 N SER A 53 16.012 4.942 3.496 1.00 0.00 N ATOM 733 CA SER A 53 16.067 5.781 2.305 1.00 0.00 C ATOM 734 C SER A 53 14.939 6.808 2.311 1.00 0.00 C ATOM 735 O SER A 53 15.141 7.969 1.957 1.00 0.00 O ATOM 736 CB SER A 53 15.979 4.919 1.044 1.00 0.00 C ATOM 737 OG SER A 53 16.528 5.594 -0.075 1.00 0.00 O ATOM 0 H SER A 53 15.955 3.942 3.305 1.00 0.00 H new ATOM 0 HA SER A 53 17.019 6.312 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.510 3.981 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.938 4.666 0.845 1.00 0.00 H new ATOM 0 HG SER A 53 16.461 5.021 -0.868 1.00 0.00 H new ATOM 743 N MET A 54 13.751 6.371 2.717 1.00 0.00 N ATOM 744 CA MET A 54 12.591 7.252 2.771 1.00 0.00 C ATOM 745 C MET A 54 13.002 8.669 3.161 1.00 0.00 C ATOM 746 O MET A 54 12.928 9.592 2.352 1.00 0.00 O ATOM 747 CB MET A 54 11.562 6.715 3.767 1.00 0.00 C ATOM 748 CG MET A 54 10.679 5.617 3.195 1.00 0.00 C ATOM 749 SD MET A 54 11.477 4.000 3.221 1.00 0.00 S ATOM 750 CE MET A 54 10.116 2.959 3.743 1.00 0.00 C ATOM 0 H MET A 54 13.567 5.412 3.013 1.00 0.00 H new ATOM 0 HA MET A 54 12.143 7.283 1.778 1.00 0.00 H new ATOM 0 HB2 MET A 54 12.083 6.331 4.644 1.00 0.00 H new ATOM 0 HB3 MET A 54 10.932 7.538 4.105 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.751 5.569 3.764 1.00 0.00 H new ATOM 0 HG3 MET A 54 10.411 5.869 2.169 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.507 2.039 4.178 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.519 3.486 4.487 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.492 2.717 2.883 1.00 0.00 H new ATOM 760 N GLY A 55 13.435 8.832 4.408 1.00 0.00 N ATOM 761 CA GLY A 55 13.851 10.139 4.883 1.00 0.00 C ATOM 762 C GLY A 55 14.318 10.110 6.325 1.00 0.00 C ATOM 763 O GLY A 55 14.951 9.149 6.760 1.00 0.00 O ATOM 0 H GLY A 55 13.505 8.083 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.657 10.512 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.020 10.838 4.787 1.00 0.00 H new ATOM 767 N ALA A 56 14.007 11.167 7.067 1.00 0.00 N ATOM 768 CA ALA A 56 14.399 11.259 8.468 1.00 0.00 C ATOM 769 C ALA A 56 14.314 9.899 9.152 1.00 0.00 C ATOM 770 O ALA A 56 13.234 9.455 9.544 1.00 0.00 O ATOM 771 CB ALA A 56 13.527 12.272 9.195 1.00 0.00 C ATOM 0 H ALA A 56 13.485 11.972 6.721 1.00 0.00 H new ATOM 0 HA ALA A 56 15.436 11.593 8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.831 12.330 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.641 13.251 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.484 11.962 9.137 1.00 0.00 H new ATOM 777 N THR A 57 15.460 9.240 9.292 1.00 0.00 N ATOM 778 CA THR A 57 15.515 7.929 9.927 1.00 0.00 C ATOM 779 C THR A 57 16.459 7.936 11.124 1.00 0.00 C ATOM 780 O THR A 57 17.524 8.552 11.082 1.00 0.00 O ATOM 781 CB THR A 57 15.971 6.843 8.934 1.00 0.00 C ATOM 782 OG1 THR A 57 16.219 5.616 9.630 1.00 0.00 O ATOM 783 CG2 THR A 57 17.230 7.277 8.198 1.00 0.00 C ATOM 0 H THR A 57 16.363 9.593 8.974 1.00 0.00 H new ATOM 0 HA THR A 57 14.505 7.700 10.267 1.00 0.00 H new ATOM 0 HB THR A 57 15.176 6.692 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.507 4.930 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 57 17.533 6.494 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.030 8.196 7.646 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.030 7.453 8.917 1.00 0.00 H new ATOM 791 N ALA A 58 16.063 7.248 12.189 1.00 0.00 N ATOM 792 CA ALA A 58 16.876 7.174 13.397 1.00 0.00 C ATOM 793 C ALA A 58 17.958 6.108 13.265 1.00 0.00 C ATOM 794 O ALA A 58 17.952 5.294 12.342 1.00 0.00 O ATOM 795 CB ALA A 58 15.998 6.890 14.607 1.00 0.00 C ATOM 0 H ALA A 58 15.184 6.733 12.240 1.00 0.00 H new ATOM 0 HA ALA A 58 17.366 8.138 13.535 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.618 6.837 15.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.265 7.689 14.720 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.482 5.940 14.467 1.00 0.00 H new ATOM 801 N PRO A 59 18.912 6.112 14.208 1.00 0.00 N ATOM 802 CA PRO A 59 20.019 5.152 14.219 1.00 0.00 C ATOM 803 C PRO A 59 19.557 3.738 14.553 1.00 0.00 C ATOM 804 O PRO A 59 20.340 2.790 14.495 1.00 0.00 O ATOM 805 CB PRO A 59 20.942 5.687 15.317 1.00 0.00 C ATOM 806 CG PRO A 59 20.046 6.463 16.219 1.00 0.00 C ATOM 807 CD PRO A 59 18.982 7.054 15.338 1.00 0.00 C ATOM 0 HA PRO A 59 20.498 5.071 13.243 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.434 4.874 15.851 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.728 6.318 14.901 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.608 5.819 16.982 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.599 7.244 16.741 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.027 7.130 15.857 1.00 0.00 H new ATOM 0 HD3 PRO A 59 19.246 8.059 15.008 1.00 0.00 H new ATOM 815 N GLU A 60 18.282 3.604 14.903 1.00 0.00 N ATOM 816 CA GLU A 60 17.717 2.304 15.246 1.00 0.00 C ATOM 817 C GLU A 60 16.984 1.697 14.054 1.00 0.00 C ATOM 818 O GLU A 60 17.212 0.542 13.694 1.00 0.00 O ATOM 819 CB GLU A 60 16.760 2.437 16.433 1.00 0.00 C ATOM 820 CG GLU A 60 15.940 1.185 16.696 1.00 0.00 C ATOM 821 CD GLU A 60 15.106 1.289 17.959 1.00 0.00 C ATOM 822 OE1 GLU A 60 15.643 1.748 18.989 1.00 0.00 O ATOM 823 OE2 GLU A 60 13.917 0.911 17.917 1.00 0.00 O ATOM 0 H GLU A 60 17.621 4.379 14.957 1.00 0.00 H new ATOM 0 HA GLU A 60 18.537 1.641 15.521 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.335 2.679 17.327 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.084 3.273 16.252 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.284 1.000 15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.608 0.328 16.776 1.00 0.00 H new ATOM 830 N ALA A 61 16.103 2.483 13.445 1.00 0.00 N ATOM 831 CA ALA A 61 15.338 2.024 12.292 1.00 0.00 C ATOM 832 C ALA A 61 16.249 1.397 11.243 1.00 0.00 C ATOM 833 O ALA A 61 15.809 0.578 10.436 1.00 0.00 O ATOM 834 CB ALA A 61 14.550 3.178 11.688 1.00 0.00 C ATOM 0 H ALA A 61 15.901 3.441 13.731 1.00 0.00 H new ATOM 0 HA ALA A 61 14.639 1.260 12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.983 2.821 10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.864 3.579 12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.238 3.961 11.369 1.00 0.00 H new ATOM 840 N GLN A 62 17.519 1.788 11.259 1.00 0.00 N ATOM 841 CA GLN A 62 18.492 1.264 10.307 1.00 0.00 C ATOM 842 C GLN A 62 18.441 -0.260 10.260 1.00 0.00 C ATOM 843 O GLN A 62 18.198 -0.914 11.274 1.00 0.00 O ATOM 844 CB GLN A 62 19.901 1.728 10.678 1.00 0.00 C ATOM 845 CG GLN A 62 20.044 3.239 10.754 1.00 0.00 C ATOM 846 CD GLN A 62 20.426 3.857 9.423 1.00 0.00 C ATOM 847 OE1 GLN A 62 20.241 3.250 8.368 1.00 0.00 O ATOM 848 NE2 GLN A 62 20.963 5.071 9.465 1.00 0.00 N ATOM 0 H GLN A 62 17.898 2.466 11.920 1.00 0.00 H new ATOM 0 HA GLN A 62 18.239 1.648 9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.175 1.297 11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.607 1.341 9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.104 3.672 11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.800 3.492 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.098 5.538 10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.240 5.536 8.601 1.00 0.00 H new ATOM 857 N ARG A 63 18.671 -0.818 9.076 1.00 0.00 N ATOM 858 CA ARG A 63 18.650 -2.265 8.897 1.00 0.00 C ATOM 859 C ARG A 63 17.280 -2.837 9.252 1.00 0.00 C ATOM 860 O ARG A 63 17.181 -3.900 9.863 1.00 0.00 O ATOM 861 CB ARG A 63 19.729 -2.923 9.759 1.00 0.00 C ATOM 862 CG ARG A 63 21.145 -2.549 9.352 1.00 0.00 C ATOM 863 CD ARG A 63 21.601 -3.336 8.134 1.00 0.00 C ATOM 864 NE ARG A 63 21.879 -4.733 8.457 1.00 0.00 N ATOM 865 CZ ARG A 63 23.079 -5.182 8.807 1.00 0.00 C ATOM 866 NH1 ARG A 63 24.107 -4.347 8.879 1.00 0.00 N ATOM 867 NH2 ARG A 63 23.253 -6.467 9.087 1.00 0.00 N ATOM 0 H ARG A 63 18.874 -0.291 8.227 1.00 0.00 H new ATOM 0 HA ARG A 63 18.853 -2.479 7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.573 -2.641 10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.618 -4.006 9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 21.193 -1.482 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.825 -2.736 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 63 20.832 -3.288 7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 63 22.497 -2.875 7.719 1.00 0.00 H new ATOM 0 HE ARG A 63 21.109 -5.401 8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.977 -3.358 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 63 25.028 -4.694 9.148 1.00 0.00 H new ATOM 0 HH21 ARG A 63 22.465 -7.112 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 63 24.175 -6.810 9.356 1.00 0.00 H new ATOM 881 N GLU A 64 16.228 -2.123 8.865 1.00 0.00 N ATOM 882 CA GLU A 64 14.865 -2.559 9.145 1.00 0.00 C ATOM 883 C GLU A 64 14.093 -2.796 7.850 1.00 0.00 C ATOM 884 O GLU A 64 14.431 -2.246 6.802 1.00 0.00 O ATOM 885 CB GLU A 64 14.139 -1.520 10.002 1.00 0.00 C ATOM 886 CG GLU A 64 12.745 -1.950 10.429 1.00 0.00 C ATOM 887 CD GLU A 64 12.741 -3.285 11.148 1.00 0.00 C ATOM 888 OE1 GLU A 64 13.417 -3.398 12.192 1.00 0.00 O ATOM 889 OE2 GLU A 64 12.063 -4.217 10.666 1.00 0.00 O ATOM 0 H GLU A 64 16.293 -1.241 8.357 1.00 0.00 H new ATOM 0 HA GLU A 64 14.917 -3.499 9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.735 -1.314 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.067 -0.587 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.318 -1.189 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.103 -2.013 9.550 1.00 0.00 H new ATOM 896 N THR A 65 13.053 -3.620 7.931 1.00 0.00 N ATOM 897 CA THR A 65 12.233 -3.932 6.766 1.00 0.00 C ATOM 898 C THR A 65 10.756 -3.688 7.052 1.00 0.00 C ATOM 899 O THR A 65 10.182 -4.286 7.962 1.00 0.00 O ATOM 900 CB THR A 65 12.423 -5.395 6.321 1.00 0.00 C ATOM 901 OG1 THR A 65 12.024 -6.282 7.372 1.00 0.00 O ATOM 902 CG2 THR A 65 13.873 -5.663 5.948 1.00 0.00 C ATOM 0 H THR A 65 12.758 -4.083 8.791 1.00 0.00 H new ATOM 0 HA THR A 65 12.559 -3.270 5.964 1.00 0.00 H new ATOM 0 HB THR A 65 11.801 -5.569 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.281 -5.884 7.872 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.983 -6.702 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.165 -5.006 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.512 -5.473 6.811 1.00 0.00 H new ATOM 910 N VAL A 66 10.145 -2.805 6.269 1.00 0.00 N ATOM 911 CA VAL A 66 8.733 -2.483 6.437 1.00 0.00 C ATOM 912 C VAL A 66 7.941 -2.807 5.176 1.00 0.00 C ATOM 913 O VAL A 66 8.516 -3.049 4.114 1.00 0.00 O ATOM 914 CB VAL A 66 8.534 -0.996 6.787 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.330 -0.629 8.030 1.00 0.00 C ATOM 916 CG2 VAL A 66 8.929 -0.115 5.611 1.00 0.00 C ATOM 0 H VAL A 66 10.606 -2.300 5.512 1.00 0.00 H new ATOM 0 HA VAL A 66 8.365 -3.095 7.261 1.00 0.00 H new ATOM 0 HB VAL A 66 7.478 -0.828 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.177 0.425 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.995 -1.238 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.390 -0.811 7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.782 0.932 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.978 -0.284 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.311 -0.361 4.748 1.00 0.00 H new ATOM 926 N PHE A 67 6.618 -2.810 5.298 1.00 0.00 N ATOM 927 CA PHE A 67 5.746 -3.105 4.167 1.00 0.00 C ATOM 928 C PHE A 67 5.177 -1.821 3.570 1.00 0.00 C ATOM 929 O PHE A 67 4.644 -0.973 4.286 1.00 0.00 O ATOM 930 CB PHE A 67 4.605 -4.027 4.603 1.00 0.00 C ATOM 931 CG PHE A 67 5.054 -5.423 4.927 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.710 -6.192 3.979 1.00 0.00 C ATOM 933 CD2 PHE A 67 4.821 -5.966 6.180 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.123 -7.477 4.275 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.232 -7.251 6.482 1.00 0.00 C ATOM 936 CZ PHE A 67 5.885 -8.007 5.528 1.00 0.00 C ATOM 0 H PHE A 67 6.126 -2.611 6.169 1.00 0.00 H new ATOM 0 HA PHE A 67 6.340 -3.608 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.116 -3.599 5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.859 -4.069 3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.901 -5.782 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.312 -5.378 6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.632 -8.067 3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.043 -7.663 7.462 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.209 -9.011 5.761 1.00 0.00 H new ATOM 946 N VAL A 68 5.295 -1.685 2.253 1.00 0.00 N ATOM 947 CA VAL A 68 4.792 -0.506 1.558 1.00 0.00 C ATOM 948 C VAL A 68 3.915 -0.898 0.374 1.00 0.00 C ATOM 949 O VAL A 68 3.720 -2.082 0.097 1.00 0.00 O ATOM 950 CB VAL A 68 5.945 0.384 1.056 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.848 0.789 2.211 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.739 -0.333 -0.025 1.00 0.00 C ATOM 0 H VAL A 68 5.735 -2.377 1.646 1.00 0.00 H new ATOM 0 HA VAL A 68 4.196 0.055 2.278 1.00 0.00 H new ATOM 0 HB VAL A 68 5.520 1.290 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.657 1.417 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.268 1.344 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.267 -0.104 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.549 0.310 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.155 -1.256 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.083 -0.568 -0.863 1.00 0.00 H new ATOM 962 N CYS A 69 3.389 0.104 -0.322 1.00 0.00 N ATOM 963 CA CYS A 69 2.532 -0.135 -1.478 1.00 0.00 C ATOM 964 C CYS A 69 3.330 -0.042 -2.775 1.00 0.00 C ATOM 965 O CYS A 69 4.219 0.798 -2.910 1.00 0.00 O ATOM 966 CB CYS A 69 1.380 0.873 -1.501 1.00 0.00 C ATOM 967 SG CYS A 69 1.879 2.562 -1.966 1.00 0.00 S ATOM 0 H CYS A 69 3.541 1.089 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 69 2.124 -1.142 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.620 0.524 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.916 0.901 -0.515 1.00 0.00 H new ATOM 972 N ALA A 70 3.005 -0.912 -3.726 1.00 0.00 N ATOM 973 CA ALA A 70 3.690 -0.927 -5.013 1.00 0.00 C ATOM 974 C ALA A 70 4.079 0.483 -5.445 1.00 0.00 C ATOM 975 O ALA A 70 5.254 0.771 -5.671 1.00 0.00 O ATOM 976 CB ALA A 70 2.812 -1.582 -6.070 1.00 0.00 C ATOM 0 H ALA A 70 2.272 -1.615 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 70 4.605 -1.510 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.336 -1.587 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.589 -2.607 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.882 -1.022 -6.168 1.00 0.00 H new ATOM 982 N SER A 71 3.084 1.357 -5.558 1.00 0.00 N ATOM 983 CA SER A 71 3.323 2.737 -5.967 1.00 0.00 C ATOM 984 C SER A 71 4.576 3.293 -5.298 1.00 0.00 C ATOM 985 O SER A 71 5.385 3.969 -5.934 1.00 0.00 O ATOM 986 CB SER A 71 2.115 3.610 -5.620 1.00 0.00 C ATOM 987 OG SER A 71 2.042 4.741 -6.470 1.00 0.00 O ATOM 0 H SER A 71 2.106 1.135 -5.372 1.00 0.00 H new ATOM 0 HA SER A 71 3.473 2.749 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.201 3.024 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.184 3.935 -4.582 1.00 0.00 H new ATOM 0 HG SER A 71 1.261 5.281 -6.229 1.00 0.00 H new ATOM 993 N CYS A 72 4.729 3.004 -4.010 1.00 0.00 N ATOM 994 CA CYS A 72 5.883 3.475 -3.253 1.00 0.00 C ATOM 995 C CYS A 72 7.098 2.586 -3.504 1.00 0.00 C ATOM 996 O CYS A 72 8.106 3.035 -4.048 1.00 0.00 O ATOM 997 CB CYS A 72 5.560 3.504 -1.758 1.00 0.00 C ATOM 998 SG CYS A 72 4.334 4.767 -1.287 1.00 0.00 S ATOM 0 H CYS A 72 4.069 2.446 -3.469 1.00 0.00 H new ATOM 0 HA CYS A 72 6.118 4.485 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.190 2.524 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.480 3.681 -1.202 1.00 0.00 H new ATOM 1003 N ASN A 73 6.993 1.323 -3.104 1.00 0.00 N ATOM 1004 CA ASN A 73 8.084 0.371 -3.286 1.00 0.00 C ATOM 1005 C ASN A 73 8.845 0.656 -4.577 1.00 0.00 C ATOM 1006 O ASN A 73 10.062 0.490 -4.640 1.00 0.00 O ATOM 1007 CB ASN A 73 7.541 -1.059 -3.304 1.00 0.00 C ATOM 1008 CG ASN A 73 8.589 -2.069 -3.732 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.467 -2.437 -2.951 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.500 -2.522 -4.977 1.00 0.00 N ATOM 0 H ASN A 73 6.165 0.935 -2.652 1.00 0.00 H new ATOM 0 HA ASN A 73 8.773 0.480 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.174 -1.318 -2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.689 -1.113 -3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.176 -3.203 -5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.755 -2.189 -5.589 1.00 0.00 H new ATOM 1017 N GLN A 74 8.118 1.084 -5.604 1.00 0.00 N ATOM 1018 CA GLN A 74 8.724 1.392 -6.894 1.00 0.00 C ATOM 1019 C GLN A 74 9.509 2.698 -6.829 1.00 0.00 C ATOM 1020 O GLN A 74 10.652 2.771 -7.281 1.00 0.00 O ATOM 1021 CB GLN A 74 7.650 1.482 -7.978 1.00 0.00 C ATOM 1022 CG GLN A 74 7.132 0.128 -8.436 1.00 0.00 C ATOM 1023 CD GLN A 74 6.537 0.172 -9.830 1.00 0.00 C ATOM 1024 OE1 GLN A 74 6.881 1.035 -10.637 1.00 0.00 O ATOM 1025 NE2 GLN A 74 5.638 -0.762 -10.120 1.00 0.00 N ATOM 0 H GLN A 74 7.108 1.225 -5.568 1.00 0.00 H new ATOM 0 HA GLN A 74 9.415 0.586 -7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.815 2.073 -7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.057 2.016 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.948 -0.595 -8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.377 -0.224 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.382 -1.459 -9.420 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.203 -0.783 -11.043 1.00 0.00 H new ATOM 1034 N THR A 75 8.889 3.728 -6.263 1.00 0.00 N ATOM 1035 CA THR A 75 9.528 5.032 -6.140 1.00 0.00 C ATOM 1036 C THR A 75 10.734 4.967 -5.210 1.00 0.00 C ATOM 1037 O THR A 75 11.780 5.556 -5.491 1.00 0.00 O ATOM 1038 CB THR A 75 8.544 6.093 -5.612 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.458 6.255 -6.532 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.245 7.427 -5.407 1.00 0.00 C ATOM 0 H THR A 75 7.944 3.684 -5.882 1.00 0.00 H new ATOM 0 HA THR A 75 9.857 5.318 -7.139 1.00 0.00 H new ATOM 0 HB THR A 75 8.158 5.752 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.790 5.555 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.530 8.160 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.052 7.307 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.656 7.772 -6.356 1.00 0.00 H new ATOM 1048 N LEU A 76 10.584 4.249 -4.103 1.00 0.00 N ATOM 1049 CA LEU A 76 11.663 4.106 -3.131 1.00 0.00 C ATOM 1050 C LEU A 76 12.865 3.400 -3.751 1.00 0.00 C ATOM 1051 O LEU A 76 13.999 3.861 -3.628 1.00 0.00 O ATOM 1052 CB LEU A 76 11.175 3.328 -1.908 1.00 0.00 C ATOM 1053 CG LEU A 76 10.023 3.960 -1.126 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.491 2.991 -0.083 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.474 5.258 -0.470 1.00 0.00 C ATOM 0 H LEU A 76 9.726 3.756 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 76 11.972 5.104 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.865 2.335 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.017 3.192 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 76 9.217 4.189 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.672 3.458 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.130 2.088 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.289 2.731 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.642 5.695 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.297 5.053 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.807 5.957 -1.237 1.00 0.00 H new ATOM 1067 N SER A 77 12.607 2.280 -4.419 1.00 0.00 N ATOM 1068 CA SER A 77 13.667 1.509 -5.058 1.00 0.00 C ATOM 1069 C SER A 77 14.408 2.355 -6.089 1.00 0.00 C ATOM 1070 O SER A 77 15.638 2.348 -6.147 1.00 0.00 O ATOM 1071 CB SER A 77 13.088 0.261 -5.726 1.00 0.00 C ATOM 1072 OG SER A 77 14.115 -0.553 -6.264 1.00 0.00 O ATOM 0 H SER A 77 11.673 1.886 -4.532 1.00 0.00 H new ATOM 0 HA SER A 77 14.375 1.204 -4.288 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.511 -0.310 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.400 0.555 -6.519 1.00 0.00 H new ATOM 0 HG SER A 77 13.719 -1.345 -6.684 1.00 0.00 H new ATOM 1078 N LYS A 78 13.651 3.083 -6.902 1.00 0.00 N ATOM 1079 CA LYS A 78 14.233 3.936 -7.931 1.00 0.00 C ATOM 1080 C LYS A 78 15.552 4.538 -7.458 1.00 0.00 C ATOM 1081 O LYS A 78 15.577 5.364 -6.546 1.00 0.00 O ATOM 1082 CB LYS A 78 13.257 5.054 -8.308 1.00 0.00 C ATOM 1083 CG LYS A 78 12.095 4.583 -9.166 1.00 0.00 C ATOM 1084 CD LYS A 78 12.415 4.691 -10.647 1.00 0.00 C ATOM 1085 CE LYS A 78 11.157 4.603 -11.497 1.00 0.00 C ATOM 1086 NZ LYS A 78 10.738 3.191 -11.721 1.00 0.00 N ATOM 0 H LYS A 78 12.632 3.099 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 78 14.429 3.320 -8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.865 5.506 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.800 5.834 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.855 3.549 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.210 5.178 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.922 5.636 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.103 3.895 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.350 5.149 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.333 5.087 -12.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.877 3.173 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.498 2.677 -12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.545 2.737 -10.806 1.00 0.00 H new ATOM 1100 N SER A 79 16.647 4.118 -8.084 1.00 0.00 N ATOM 1101 CA SER A 79 17.971 4.613 -7.724 1.00 0.00 C ATOM 1102 C SER A 79 18.197 6.013 -8.286 1.00 0.00 C ATOM 1103 O SER A 79 17.386 6.525 -9.056 1.00 0.00 O ATOM 1104 CB SER A 79 19.052 3.663 -8.241 1.00 0.00 C ATOM 1105 OG SER A 79 19.286 3.860 -9.625 1.00 0.00 O ATOM 0 H SER A 79 16.644 3.436 -8.843 1.00 0.00 H new ATOM 0 HA SER A 79 18.031 4.662 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.977 3.823 -7.686 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.749 2.631 -8.064 1.00 0.00 H new ATOM 0 HG SER A 79 19.982 3.242 -9.930 1.00 0.00 H new ATOM 1111 N GLY A 80 19.309 6.629 -7.894 1.00 0.00 N ATOM 1112 CA GLY A 80 19.624 7.964 -8.367 1.00 0.00 C ATOM 1113 C GLY A 80 20.360 8.788 -7.329 1.00 0.00 C ATOM 1114 O GLY A 80 20.454 8.413 -6.160 1.00 0.00 O ATOM 0 H GLY A 80 19.997 6.227 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.233 7.893 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.702 8.475 -8.645 1.00 0.00 H new ATOM 1118 N PRO A 81 20.900 9.940 -7.756 1.00 0.00 N ATOM 1119 CA PRO A 81 21.642 10.842 -6.871 1.00 0.00 C ATOM 1120 C PRO A 81 20.738 11.530 -5.854 1.00 0.00 C ATOM 1121 O PRO A 81 19.513 11.475 -5.961 1.00 0.00 O ATOM 1122 CB PRO A 81 22.242 11.870 -7.835 1.00 0.00 C ATOM 1123 CG PRO A 81 21.331 11.860 -9.014 1.00 0.00 C ATOM 1124 CD PRO A 81 20.826 10.449 -9.136 1.00 0.00 C ATOM 0 HA PRO A 81 22.385 10.310 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 81 22.289 12.859 -7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 81 23.259 11.600 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.506 12.559 -8.876 1.00 0.00 H new ATOM 0 HG3 PRO A 81 21.859 12.165 -9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.807 10.419 -9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.441 9.859 -9.815 1.00 0.00 H new ATOM 1132 N SER A 82 21.350 12.178 -4.868 1.00 0.00 N ATOM 1133 CA SER A 82 20.600 12.874 -3.829 1.00 0.00 C ATOM 1134 C SER A 82 20.890 14.371 -3.861 1.00 0.00 C ATOM 1135 O SER A 82 22.037 14.790 -4.012 1.00 0.00 O ATOM 1136 CB SER A 82 20.947 12.305 -2.452 1.00 0.00 C ATOM 1137 OG SER A 82 20.210 12.955 -1.431 1.00 0.00 O ATOM 0 H SER A 82 22.363 12.236 -4.767 1.00 0.00 H new ATOM 0 HA SER A 82 19.537 12.723 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.736 11.236 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.014 12.422 -2.265 1.00 0.00 H new ATOM 0 HG SER A 82 20.449 12.572 -0.561 1.00 0.00 H new ATOM 1143 N SER A 83 19.840 15.174 -3.717 1.00 0.00 N ATOM 1144 CA SER A 83 19.979 16.625 -3.733 1.00 0.00 C ATOM 1145 C SER A 83 21.143 17.069 -2.851 1.00 0.00 C ATOM 1146 O SER A 83 21.367 16.516 -1.775 1.00 0.00 O ATOM 1147 CB SER A 83 18.685 17.288 -3.260 1.00 0.00 C ATOM 1148 OG SER A 83 18.868 18.679 -3.058 1.00 0.00 O ATOM 0 H SER A 83 18.884 14.844 -3.588 1.00 0.00 H new ATOM 0 HA SER A 83 20.183 16.934 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.899 17.125 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 83 18.353 16.823 -2.332 1.00 0.00 H new ATOM 0 HG SER A 83 18.026 19.080 -2.758 1.00 0.00 H new ATOM 1154 N GLY A 84 21.881 18.072 -3.316 1.00 0.00 N ATOM 1155 CA GLY A 84 23.013 18.574 -2.558 1.00 0.00 C ATOM 1156 C GLY A 84 23.726 19.710 -3.265 1.00 0.00 C ATOM 1157 O GLY A 84 24.691 19.456 -3.983 1.00 0.00 O ATOM 0 H GLY A 84 21.716 18.546 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.670 18.916 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.717 17.761 -2.381 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.433 -3.240 -4.490 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.617 3.751 -0.113 1.00 0.00 ZN