USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 16 ASN : amide:sc= -1.93 K(o=-4.3,f=-6.9!) USER MOD Set 1.2: A 63 MET CE :methyl -118:sc= -2.34 (180deg=-3.68) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -115:sc= -0.379 (180deg=-0.503) USER MOD Set 2.2: A 26 HIS : no HD1:sc= -2.18 K(o=-2.6,f=-4.8!) USER MOD Single : A 3 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.52) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.925 F(o=-2.7,f=-0.92) USER MOD Single : A 18 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0.244 (180deg=-0.349) USER MOD Single : A 27 ASN : amide:sc= -4.39! C(o=-4.4!,f=-4.1!) USER MOD Single : A 28 GLN : amide:sc= -2.12 X(o=-2.1,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 102:sc= 1.15 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.759 F(o=-1.6,f=-0.76) USER MOD Single : A 39 GLN : amide:sc= 0.165 X(o=0.17,f=-0.15) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0252 F(o=-1.7,f=-0.025) USER MOD Single : A 42 SER OG : rot 44:sc= 0.461 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0396 (180deg=-0.326) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.276 F(o=-0.93,f=-0.28) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.357) USER MOD Single : A 71 GLN : amide:sc= -0.599 K(o=-0.6,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.485 -4.098 9.259 1.00 0.00 N ATOM 41 CA HIS A 3 -10.486 -4.744 10.104 1.00 0.00 C ATOM 42 C HIS A 3 -9.224 -5.058 9.306 1.00 0.00 C ATOM 43 O HIS A 3 -8.116 -5.010 9.835 1.00 0.00 O ATOM 44 CB HIS A 3 -11.054 -6.029 10.710 1.00 0.00 C ATOM 45 CG HIS A 3 -11.656 -5.835 12.066 1.00 0.00 C ATOM 46 ND1 HIS A 3 -11.148 -4.954 12.998 1.00 0.00 N ATOM 47 CD2 HIS A 3 -12.733 -6.416 12.649 1.00 0.00 C ATOM 48 CE1 HIS A 3 -11.885 -5.002 14.094 1.00 0.00 C ATOM 49 NE2 HIS A 3 -12.853 -5.881 13.907 1.00 0.00 N ATOM 0 HA HIS A 3 -10.225 -4.057 10.909 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.812 -6.433 10.039 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.259 -6.772 10.777 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.377 -7.161 12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.723 -4.421 14.990 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.573 -6.123 14.588 1.00 0.00 H new ATOM 58 N GLU A 4 -9.404 -5.380 8.030 1.00 0.00 N ATOM 59 CA GLU A 4 -8.282 -5.703 7.153 1.00 0.00 C ATOM 60 C GLU A 4 -7.534 -4.442 6.714 1.00 0.00 C ATOM 61 O GLU A 4 -6.507 -4.514 6.045 1.00 0.00 O ATOM 62 CB GLU A 4 -8.774 -6.470 5.924 1.00 0.00 C ATOM 63 CG GLU A 4 -9.718 -5.668 5.042 1.00 0.00 C ATOM 64 CD GLU A 4 -10.786 -6.530 4.398 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.302 -7.443 5.077 1.00 0.00 O ATOM 66 OE2 GLU A 4 -11.107 -6.292 3.215 1.00 0.00 O ATOM 0 H GLU A 4 -10.317 -5.425 7.578 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.590 -6.329 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.913 -6.781 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.280 -7.378 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.195 -4.890 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.144 -5.165 4.264 1.00 0.00 H new ATOM 73 N PHE A 5 -8.049 -3.287 7.096 1.00 0.00 N ATOM 74 CA PHE A 5 -7.422 -2.026 6.746 1.00 0.00 C ATOM 75 C PHE A 5 -6.443 -1.600 7.826 1.00 0.00 C ATOM 76 O PHE A 5 -5.530 -0.820 7.581 1.00 0.00 O ATOM 77 CB PHE A 5 -8.473 -0.948 6.543 1.00 0.00 C ATOM 78 CG PHE A 5 -9.063 -0.931 5.162 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.914 -1.942 4.745 1.00 0.00 C ATOM 80 CD2 PHE A 5 -8.766 0.097 4.282 1.00 0.00 C ATOM 81 CE1 PHE A 5 -10.457 -1.928 3.475 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.308 0.116 3.011 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.154 -0.898 2.606 1.00 0.00 C ATOM 0 H PHE A 5 -8.901 -3.197 7.649 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.876 -2.164 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.274 -1.093 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.027 0.025 6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.155 -2.750 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.104 0.892 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -11.118 -2.722 3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.070 0.924 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.577 -0.886 1.613 1.00 0.00 H new ATOM 93 N ARG A 6 -6.641 -2.127 9.022 1.00 0.00 N ATOM 94 CA ARG A 6 -5.771 -1.822 10.142 1.00 0.00 C ATOM 95 C ARG A 6 -5.065 -3.088 10.589 1.00 0.00 C ATOM 96 O ARG A 6 -3.931 -3.049 11.066 1.00 0.00 O ATOM 97 CB ARG A 6 -6.567 -1.211 11.298 1.00 0.00 C ATOM 98 CG ARG A 6 -5.733 -0.938 12.540 1.00 0.00 C ATOM 99 CD ARG A 6 -5.570 -2.187 13.393 1.00 0.00 C ATOM 100 NE ARG A 6 -6.175 -2.031 14.715 1.00 0.00 N ATOM 101 CZ ARG A 6 -7.436 -2.350 15.002 1.00 0.00 C ATOM 102 NH1 ARG A 6 -8.239 -2.839 14.064 1.00 0.00 N ATOM 103 NH2 ARG A 6 -7.898 -2.178 16.233 1.00 0.00 N ATOM 0 H ARG A 6 -7.401 -2.771 9.242 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.028 -1.089 9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.019 -0.277 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.383 -1.884 11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.751 -0.568 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.205 -0.153 13.130 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.026 -3.036 12.884 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.510 -2.414 13.504 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.595 -1.654 15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.892 -2.973 13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.203 -3.080 14.293 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.288 -1.802 16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.863 -2.422 16.454 1.00 0.00 H new ATOM 117 N ASP A 7 -5.740 -4.220 10.412 1.00 0.00 N ATOM 118 CA ASP A 7 -5.171 -5.499 10.776 1.00 0.00 C ATOM 119 C ASP A 7 -4.418 -6.092 9.598 1.00 0.00 C ATOM 120 O ASP A 7 -3.400 -6.759 9.782 1.00 0.00 O ATOM 121 CB ASP A 7 -6.256 -6.464 11.258 1.00 0.00 C ATOM 122 CG ASP A 7 -7.132 -5.861 12.341 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.511 -4.679 12.210 1.00 0.00 O ATOM 124 OD2 ASP A 7 -7.438 -6.574 13.320 1.00 0.00 O ATOM 0 H ASP A 7 -6.680 -4.270 10.019 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.472 -5.341 11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.879 -6.757 10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.787 -7.372 11.638 1.00 0.00 H new ATOM 129 N GLU A 8 -4.892 -5.828 8.380 1.00 0.00 N ATOM 130 CA GLU A 8 -4.199 -6.335 7.206 1.00 0.00 C ATOM 131 C GLU A 8 -3.183 -5.307 6.734 1.00 0.00 C ATOM 132 O GLU A 8 -2.181 -5.652 6.115 1.00 0.00 O ATOM 133 CB GLU A 8 -5.168 -6.714 6.087 1.00 0.00 C ATOM 134 CG GLU A 8 -5.098 -8.182 5.696 1.00 0.00 C ATOM 135 CD GLU A 8 -5.499 -8.422 4.254 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.443 -7.755 3.782 1.00 0.00 O ATOM 137 OE2 GLU A 8 -4.869 -9.277 3.597 1.00 0.00 O ATOM 0 H GLU A 8 -5.731 -5.280 8.187 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.677 -7.251 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.185 -6.478 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.956 -6.102 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.083 -8.548 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.750 -8.760 6.351 1.00 0.00 H new ATOM 144 N ILE A 9 -3.428 -4.036 7.045 1.00 0.00 N ATOM 145 CA ILE A 9 -2.489 -2.996 6.654 1.00 0.00 C ATOM 146 C ILE A 9 -1.355 -2.895 7.660 1.00 0.00 C ATOM 147 O ILE A 9 -0.249 -2.505 7.307 1.00 0.00 O ATOM 148 CB ILE A 9 -3.158 -1.613 6.518 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.161 -1.614 5.360 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.105 -0.528 6.312 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.779 -0.259 5.085 1.00 0.00 C ATOM 0 H ILE A 9 -4.249 -3.710 7.554 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.103 -3.284 5.676 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.697 -1.399 7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.660 -1.964 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.955 -2.327 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.595 0.441 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.428 -0.511 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.539 -0.738 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.478 -0.340 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.310 0.085 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.994 0.454 4.832 1.00 0.00 H new ATOM 163 N SER A 10 -1.632 -3.217 8.916 1.00 0.00 N ATOM 164 CA SER A 10 -0.606 -3.123 9.942 1.00 0.00 C ATOM 165 C SER A 10 0.167 -4.427 10.130 1.00 0.00 C ATOM 166 O SER A 10 1.294 -4.414 10.622 1.00 0.00 O ATOM 167 CB SER A 10 -1.221 -2.683 11.271 1.00 0.00 C ATOM 168 OG SER A 10 -0.238 -2.127 12.128 1.00 0.00 O ATOM 0 H SER A 10 -2.542 -3.540 9.244 1.00 0.00 H new ATOM 0 HA SER A 10 0.109 -2.374 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.005 -1.949 11.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.692 -3.537 11.758 1.00 0.00 H new ATOM 0 HG SER A 10 -0.656 -1.852 12.970 1.00 0.00 H new ATOM 174 N VAL A 11 -0.440 -5.552 9.775 1.00 0.00 N ATOM 175 CA VAL A 11 0.221 -6.843 9.959 1.00 0.00 C ATOM 176 C VAL A 11 1.037 -7.274 8.744 1.00 0.00 C ATOM 177 O VAL A 11 2.062 -7.937 8.888 1.00 0.00 O ATOM 178 CB VAL A 11 -0.792 -7.949 10.318 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.092 -9.290 10.497 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.560 -7.576 11.577 1.00 0.00 C ATOM 0 H VAL A 11 -1.373 -5.601 9.365 1.00 0.00 H new ATOM 0 HA VAL A 11 0.913 -6.702 10.790 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.499 -8.044 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.828 -10.054 10.750 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.412 -9.564 9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.642 -9.213 11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.271 -8.367 11.817 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.862 -7.451 12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.098 -6.642 11.412 1.00 0.00 H new ATOM 190 N LEU A 12 0.590 -6.913 7.553 1.00 0.00 N ATOM 191 CA LEU A 12 1.305 -7.288 6.336 1.00 0.00 C ATOM 192 C LEU A 12 2.327 -6.230 5.969 1.00 0.00 C ATOM 193 O LEU A 12 3.434 -6.540 5.537 1.00 0.00 O ATOM 194 CB LEU A 12 0.332 -7.486 5.177 1.00 0.00 C ATOM 195 CG LEU A 12 -1.036 -8.029 5.578 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.047 -7.818 4.459 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.937 -9.501 5.946 1.00 0.00 C ATOM 0 H LEU A 12 -0.257 -6.365 7.399 1.00 0.00 H new ATOM 0 HA LEU A 12 1.822 -8.229 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.194 -6.531 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.781 -8.169 4.456 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.381 -7.480 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.016 -8.212 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.139 -6.753 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.711 -8.338 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.922 -9.872 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.569 -10.066 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.249 -9.621 6.783 1.00 0.00 H new ATOM 209 N LYS A 13 1.942 -4.978 6.147 1.00 0.00 N ATOM 210 CA LYS A 13 2.822 -3.859 5.835 1.00 0.00 C ATOM 211 C LYS A 13 3.938 -3.746 6.864 1.00 0.00 C ATOM 212 O LYS A 13 5.107 -3.578 6.518 1.00 0.00 O ATOM 213 CB LYS A 13 2.016 -2.563 5.793 1.00 0.00 C ATOM 214 CG LYS A 13 2.856 -1.298 5.736 1.00 0.00 C ATOM 215 CD LYS A 13 2.305 -0.227 6.664 1.00 0.00 C ATOM 216 CE LYS A 13 2.449 1.163 6.064 1.00 0.00 C ATOM 217 NZ LYS A 13 1.144 1.878 6.000 1.00 0.00 N ATOM 0 H LYS A 13 1.026 -4.708 6.506 1.00 0.00 H new ATOM 0 HA LYS A 13 3.273 -4.035 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.359 -2.587 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.376 -2.519 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.884 -1.529 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.879 -0.920 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.253 -0.428 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.829 -0.268 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.153 1.744 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.869 1.084 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.884 2.038 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.410 1.303 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.225 2.793 6.488 1.00 0.00 H new ATOM 231 N ALA A 14 3.562 -3.826 8.130 1.00 0.00 N ATOM 232 CA ALA A 14 4.518 -3.720 9.222 1.00 0.00 C ATOM 233 C ALA A 14 5.352 -4.990 9.380 1.00 0.00 C ATOM 234 O ALA A 14 6.248 -5.043 10.222 1.00 0.00 O ATOM 235 CB ALA A 14 3.793 -3.393 10.517 1.00 0.00 C ATOM 0 H ALA A 14 2.597 -3.965 8.429 1.00 0.00 H new ATOM 0 HA ALA A 14 5.208 -2.911 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.516 -3.315 11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.265 -2.445 10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.077 -4.183 10.743 1.00 0.00 H new ATOM 241 N ASN A 15 5.054 -6.021 8.587 1.00 0.00 N ATOM 242 CA ASN A 15 5.793 -7.279 8.689 1.00 0.00 C ATOM 243 C ASN A 15 6.235 -7.819 7.335 1.00 0.00 C ATOM 244 O ASN A 15 6.770 -8.926 7.256 1.00 0.00 O ATOM 245 CB ASN A 15 4.956 -8.332 9.417 1.00 0.00 C ATOM 246 CG ASN A 15 4.458 -7.845 10.764 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.512 -6.910 10.745 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.916 -8.302 11.811 1.00 0.00 N flip ATOM 0 H ASN A 15 4.319 -6.011 7.879 1.00 0.00 H new ATOM 0 HA ASN A 15 6.696 -7.063 9.260 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.104 -8.608 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.553 -9.233 9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.641 -9.019 11.780 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.570 -7.964 12.709 1.00 0.00 H new ATOM 255 N ASN A 16 6.035 -7.052 6.272 1.00 0.00 N ATOM 256 CA ASN A 16 6.449 -7.506 4.953 1.00 0.00 C ATOM 257 C ASN A 16 7.920 -7.169 4.710 1.00 0.00 C ATOM 258 O ASN A 16 8.346 -6.044 4.941 1.00 0.00 O ATOM 259 CB ASN A 16 5.579 -6.877 3.862 1.00 0.00 C ATOM 260 CG ASN A 16 4.486 -7.812 3.383 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.388 -8.953 3.833 1.00 0.00 O ATOM 262 ND2 ASN A 16 3.658 -7.332 2.462 1.00 0.00 N ATOM 0 H ASN A 16 5.598 -6.131 6.295 1.00 0.00 H new ATOM 0 HA ASN A 16 6.323 -8.588 4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.128 -5.961 4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.208 -6.595 3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.904 -7.916 2.100 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.776 -6.379 2.117 1.00 0.00 H new ATOM 269 N PRO A 17 8.726 -8.140 4.241 1.00 0.00 N ATOM 270 CA PRO A 17 10.152 -7.911 3.981 1.00 0.00 C ATOM 271 C PRO A 17 10.388 -6.705 3.093 1.00 0.00 C ATOM 272 O PRO A 17 11.398 -6.013 3.217 1.00 0.00 O ATOM 273 CB PRO A 17 10.603 -9.199 3.286 1.00 0.00 C ATOM 274 CG PRO A 17 9.634 -10.234 3.744 1.00 0.00 C ATOM 275 CD PRO A 17 8.321 -9.524 3.933 1.00 0.00 C ATOM 0 HA PRO A 17 10.705 -7.697 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.585 -9.091 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.624 -9.462 3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.542 -11.034 3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.966 -10.693 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.704 -9.573 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.739 -9.963 4.744 1.00 0.00 H new ATOM 283 N HIS A 18 9.442 -6.451 2.212 1.00 0.00 N ATOM 284 CA HIS A 18 9.524 -5.319 1.313 1.00 0.00 C ATOM 285 C HIS A 18 9.261 -4.022 2.072 1.00 0.00 C ATOM 286 O HIS A 18 9.633 -2.941 1.616 1.00 0.00 O ATOM 287 CB HIS A 18 8.512 -5.498 0.191 1.00 0.00 C ATOM 288 CG HIS A 18 9.111 -5.434 -1.180 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.804 -4.338 -1.649 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.118 -6.340 -2.187 1.00 0.00 C ATOM 291 CE1 HIS A 18 10.209 -4.572 -2.884 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.807 -5.779 -3.234 1.00 0.00 N ATOM 0 H HIS A 18 8.602 -7.018 2.100 1.00 0.00 H new ATOM 0 HA HIS A 18 10.525 -5.264 0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.013 -6.459 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.746 -4.727 0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.666 -7.321 -2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.774 -3.891 -3.503 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.980 -6.223 -4.136 1.00 0.00 H new ATOM 301 N PHE A 19 8.625 -4.138 3.239 1.00 0.00 N ATOM 302 CA PHE A 19 8.324 -2.973 4.060 1.00 0.00 C ATOM 303 C PHE A 19 9.576 -2.128 4.260 1.00 0.00 C ATOM 304 O PHE A 19 9.507 -0.905 4.330 1.00 0.00 O ATOM 305 CB PHE A 19 7.720 -3.397 5.411 1.00 0.00 C ATOM 306 CG PHE A 19 8.703 -3.479 6.552 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.809 -4.314 6.485 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.514 -2.718 7.695 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.705 -4.387 7.534 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.407 -2.787 8.747 1.00 0.00 C ATOM 311 CZ PHE A 19 10.504 -3.622 8.667 1.00 0.00 C ATOM 0 H PHE A 19 8.311 -5.025 3.632 1.00 0.00 H new ATOM 0 HA PHE A 19 7.582 -2.366 3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.934 -2.690 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.245 -4.371 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.971 -4.914 5.602 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.658 -2.063 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.562 -5.041 7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.247 -2.188 9.631 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.203 -3.677 9.488 1.00 0.00 H new ATOM 321 N ASP A 20 10.726 -2.779 4.332 1.00 0.00 N ATOM 322 CA ASP A 20 11.981 -2.059 4.504 1.00 0.00 C ATOM 323 C ASP A 20 12.007 -0.823 3.615 1.00 0.00 C ATOM 324 O ASP A 20 12.256 0.288 4.076 1.00 0.00 O ATOM 325 CB ASP A 20 13.159 -2.960 4.157 1.00 0.00 C ATOM 326 CG ASP A 20 13.660 -3.751 5.349 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.799 -3.156 6.440 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.912 -4.964 5.194 1.00 0.00 O ATOM 0 H ASP A 20 10.819 -3.793 4.275 1.00 0.00 H new ATOM 0 HA ASP A 20 12.060 -1.752 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.863 -3.650 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.973 -2.352 3.762 1.00 0.00 H new ATOM 333 N LYS A 21 11.743 -1.038 2.336 1.00 0.00 N ATOM 334 CA LYS A 21 11.721 0.040 1.360 1.00 0.00 C ATOM 335 C LYS A 21 10.324 0.636 1.205 1.00 0.00 C ATOM 336 O LYS A 21 10.137 1.848 1.300 1.00 0.00 O ATOM 337 CB LYS A 21 12.225 -0.472 0.011 1.00 0.00 C ATOM 338 CG LYS A 21 13.714 -0.252 -0.204 1.00 0.00 C ATOM 339 CD LYS A 21 14.268 -1.188 -1.265 1.00 0.00 C ATOM 340 CE LYS A 21 14.250 -2.635 -0.798 1.00 0.00 C ATOM 341 NZ LYS A 21 15.028 -3.522 -1.705 1.00 0.00 N ATOM 0 H LYS A 21 11.539 -1.959 1.947 1.00 0.00 H new ATOM 0 HA LYS A 21 12.378 0.831 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.008 -1.537 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.673 0.026 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.891 0.782 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.245 -0.409 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.681 -1.092 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.289 -0.897 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.661 -2.696 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.219 -2.986 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.990 -4.499 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.621 -3.484 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.017 -3.203 -1.737 1.00 0.00 H new ATOM 355 N ILE A 22 9.354 -0.230 0.940 1.00 0.00 N ATOM 356 CA ILE A 22 7.969 0.193 0.738 1.00 0.00 C ATOM 357 C ILE A 22 7.372 0.828 1.988 1.00 0.00 C ATOM 358 O ILE A 22 6.533 1.723 1.895 1.00 0.00 O ATOM 359 CB ILE A 22 7.070 -0.986 0.312 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.782 -1.874 -0.713 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.756 -0.465 -0.253 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.902 -2.964 -1.286 1.00 0.00 C ATOM 0 H ILE A 22 9.500 -1.236 0.859 1.00 0.00 H new ATOM 0 HA ILE A 22 8.001 0.936 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 22 6.858 -1.593 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.151 -1.250 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.653 -2.331 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.129 -1.306 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.240 0.121 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.957 0.163 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.473 -3.553 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.554 -3.611 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.044 -2.514 -1.786 1.00 0.00 H new ATOM 374 N PHE A 23 7.792 0.357 3.155 1.00 0.00 N ATOM 375 CA PHE A 23 7.273 0.883 4.413 1.00 0.00 C ATOM 376 C PHE A 23 8.107 2.057 4.907 1.00 0.00 C ATOM 377 O PHE A 23 7.575 2.980 5.520 1.00 0.00 O ATOM 378 CB PHE A 23 7.206 -0.219 5.476 1.00 0.00 C ATOM 379 CG PHE A 23 6.776 0.255 6.834 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.436 0.413 7.134 1.00 0.00 C ATOM 381 CD2 PHE A 23 7.717 0.529 7.813 1.00 0.00 C ATOM 382 CE1 PHE A 23 5.036 0.837 8.386 1.00 0.00 C ATOM 383 CE2 PHE A 23 7.325 0.956 9.068 1.00 0.00 C ATOM 384 CZ PHE A 23 5.982 1.109 9.355 1.00 0.00 C ATOM 0 H PHE A 23 8.486 -0.383 3.258 1.00 0.00 H new ATOM 0 HA PHE A 23 6.262 1.246 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.515 -0.991 5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.188 -0.685 5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.692 0.202 6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.768 0.408 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.986 0.956 8.607 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.067 1.170 9.823 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.673 1.441 10.335 1.00 0.00 H new ATOM 394 N GLU A 24 9.409 2.037 4.633 1.00 0.00 N ATOM 395 CA GLU A 24 10.270 3.133 5.062 1.00 0.00 C ATOM 396 C GLU A 24 9.942 4.393 4.279 1.00 0.00 C ATOM 397 O GLU A 24 9.899 5.490 4.836 1.00 0.00 O ATOM 398 CB GLU A 24 11.743 2.769 4.886 1.00 0.00 C ATOM 399 CG GLU A 24 12.701 3.890 5.262 1.00 0.00 C ATOM 400 CD GLU A 24 14.082 3.704 4.663 1.00 0.00 C ATOM 401 OE1 GLU A 24 14.382 2.585 4.197 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.863 4.679 4.660 1.00 0.00 O ATOM 0 H GLU A 24 9.883 1.289 4.126 1.00 0.00 H new ATOM 0 HA GLU A 24 10.089 3.317 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.967 1.893 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.917 2.488 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.289 4.842 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.784 3.943 6.348 1.00 0.00 H new ATOM 409 N LYS A 25 9.701 4.229 2.985 1.00 0.00 N ATOM 410 CA LYS A 25 9.363 5.353 2.127 1.00 0.00 C ATOM 411 C LYS A 25 7.955 5.842 2.430 1.00 0.00 C ATOM 412 O LYS A 25 7.674 7.039 2.367 1.00 0.00 O ATOM 413 CB LYS A 25 9.477 4.954 0.653 1.00 0.00 C ATOM 414 CG LYS A 25 10.788 5.374 0.009 1.00 0.00 C ATOM 415 CD LYS A 25 11.939 4.481 0.449 1.00 0.00 C ATOM 416 CE LYS A 25 12.490 3.667 -0.710 1.00 0.00 C ATOM 417 NZ LYS A 25 11.442 2.820 -1.345 1.00 0.00 N ATOM 0 H LYS A 25 9.734 3.328 2.508 1.00 0.00 H new ATOM 0 HA LYS A 25 10.066 6.162 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.370 3.873 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.651 5.400 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.690 5.335 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.008 6.409 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.734 5.094 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.598 3.809 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.914 4.339 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.302 3.033 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.891 2.014 -1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.790 2.469 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.913 3.385 -2.039 1.00 0.00 H new ATOM 431 N HIS A 26 7.074 4.908 2.771 1.00 0.00 N ATOM 432 CA HIS A 26 5.698 5.247 3.097 1.00 0.00 C ATOM 433 C HIS A 26 5.627 5.914 4.462 1.00 0.00 C ATOM 434 O HIS A 26 4.924 6.908 4.644 1.00 0.00 O ATOM 435 CB HIS A 26 4.812 4.001 3.074 1.00 0.00 C ATOM 436 CG HIS A 26 3.351 4.315 2.975 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.372 3.537 3.556 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.704 5.333 2.359 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.186 4.062 3.300 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.361 5.152 2.576 1.00 0.00 N ATOM 0 H HIS A 26 7.290 3.913 2.828 1.00 0.00 H new ATOM 0 HA HIS A 26 5.332 5.944 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.100 3.374 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.991 3.419 3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.160 6.137 1.801 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.236 3.667 3.627 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.618 5.761 2.233 1.00 0.00 H new ATOM 449 N ASN A 27 6.360 5.361 5.421 1.00 0.00 N ATOM 450 CA ASN A 27 6.377 5.912 6.773 1.00 0.00 C ATOM 451 C ASN A 27 7.054 7.279 6.800 1.00 0.00 C ATOM 452 O ASN A 27 6.665 8.156 7.572 1.00 0.00 O ATOM 453 CB ASN A 27 7.085 4.960 7.739 1.00 0.00 C ATOM 454 CG ASN A 27 6.110 4.089 8.508 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.176 3.528 7.935 1.00 0.00 O ATOM 456 ND2 ASN A 27 6.323 3.973 9.813 1.00 0.00 N ATOM 0 H ASN A 27 6.947 4.537 5.290 1.00 0.00 H new ATOM 0 HA ASN A 27 5.342 6.032 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.773 4.325 7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.684 5.539 8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.700 3.401 10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.110 4.456 10.246 1.00 0.00 H new ATOM 463 N GLN A 28 8.059 7.462 5.950 1.00 0.00 N ATOM 464 CA GLN A 28 8.772 8.733 5.882 1.00 0.00 C ATOM 465 C GLN A 28 7.916 9.771 5.174 1.00 0.00 C ATOM 466 O GLN A 28 7.943 10.954 5.512 1.00 0.00 O ATOM 467 CB GLN A 28 10.108 8.567 5.155 1.00 0.00 C ATOM 468 CG GLN A 28 11.193 9.514 5.647 1.00 0.00 C ATOM 469 CD GLN A 28 10.732 10.958 5.695 1.00 0.00 C ATOM 470 OE1 GLN A 28 10.908 11.710 4.737 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.139 11.353 6.816 1.00 0.00 N ATOM 0 H GLN A 28 8.397 6.751 5.302 1.00 0.00 H new ATOM 0 HA GLN A 28 8.975 9.071 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.452 7.540 5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.954 8.728 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.514 9.206 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.062 9.436 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.014 10.696 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.809 12.314 6.907 1.00 0.00 H new ATOM 480 N LEU A 29 7.144 9.313 4.196 1.00 0.00 N ATOM 481 CA LEU A 29 6.262 10.191 3.446 1.00 0.00 C ATOM 482 C LEU A 29 5.059 10.563 4.296 1.00 0.00 C ATOM 483 O LEU A 29 4.712 11.736 4.421 1.00 0.00 O ATOM 484 CB LEU A 29 5.806 9.516 2.152 1.00 0.00 C ATOM 485 CG LEU A 29 5.374 10.477 1.041 1.00 0.00 C ATOM 486 CD1 LEU A 29 6.439 10.554 -0.043 1.00 0.00 C ATOM 487 CD2 LEU A 29 4.040 10.045 0.451 1.00 0.00 C ATOM 0 H LEU A 29 7.113 8.336 3.905 1.00 0.00 H new ATOM 0 HA LEU A 29 6.809 11.097 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.619 8.893 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.974 8.850 2.380 1.00 0.00 H new ATOM 0 HG LEU A 29 5.253 11.470 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.114 11.242 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.373 10.911 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.593 9.564 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.749 10.739 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.134 9.042 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.280 10.043 1.232 1.00 0.00 H new ATOM 499 N ASP A 30 4.439 9.554 4.898 1.00 0.00 N ATOM 500 CA ASP A 30 3.286 9.778 5.757 1.00 0.00 C ATOM 501 C ASP A 30 3.694 10.572 6.993 1.00 0.00 C ATOM 502 O ASP A 30 2.852 11.152 7.678 1.00 0.00 O ATOM 503 CB ASP A 30 2.655 8.447 6.170 1.00 0.00 C ATOM 504 CG ASP A 30 1.408 8.632 7.010 1.00 0.00 C ATOM 505 OD1 ASP A 30 0.309 8.746 6.425 1.00 0.00 O ATOM 506 OD2 ASP A 30 1.527 8.662 8.252 1.00 0.00 O ATOM 0 H ASP A 30 4.716 8.577 4.806 1.00 0.00 H new ATOM 0 HA ASP A 30 2.547 10.352 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.406 7.874 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.384 7.862 6.731 1.00 0.00 H new ATOM 511 N ASP A 31 4.997 10.614 7.265 1.00 0.00 N ATOM 512 CA ASP A 31 5.504 11.367 8.401 1.00 0.00 C ATOM 513 C ASP A 31 5.780 12.804 7.977 1.00 0.00 C ATOM 514 O ASP A 31 5.724 13.727 8.790 1.00 0.00 O ATOM 515 CB ASP A 31 6.775 10.723 8.958 1.00 0.00 C ATOM 516 CG ASP A 31 7.277 11.421 10.206 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.491 11.563 11.164 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.459 11.827 10.225 1.00 0.00 O ATOM 0 H ASP A 31 5.713 10.138 6.716 1.00 0.00 H new ATOM 0 HA ASP A 31 4.752 11.362 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.579 9.675 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.554 10.743 8.195 1.00 0.00 H new ATOM 523 N ASP A 32 6.053 12.986 6.688 1.00 0.00 N ATOM 524 CA ASP A 32 6.307 14.309 6.140 1.00 0.00 C ATOM 525 C ASP A 32 4.983 14.980 5.788 1.00 0.00 C ATOM 526 O ASP A 32 4.852 16.201 5.862 1.00 0.00 O ATOM 527 CB ASP A 32 7.197 14.214 4.899 1.00 0.00 C ATOM 528 CG ASP A 32 8.669 14.355 5.232 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.040 14.114 6.400 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.452 14.707 4.325 1.00 0.00 O ATOM 0 H ASP A 32 6.103 12.230 6.005 1.00 0.00 H new ATOM 0 HA ASP A 32 6.826 14.908 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.029 13.256 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.912 14.991 4.190 1.00 0.00 H new ATOM 535 N ILE A 33 3.999 14.161 5.417 1.00 0.00 N ATOM 536 CA ILE A 33 2.681 14.653 5.068 1.00 0.00 C ATOM 537 C ILE A 33 1.981 15.213 6.300 1.00 0.00 C ATOM 538 O ILE A 33 1.296 16.235 6.228 1.00 0.00 O ATOM 539 CB ILE A 33 1.821 13.534 4.443 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.422 12.504 5.499 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.564 12.866 3.294 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.175 12.877 6.271 1.00 0.00 C ATOM 0 H ILE A 33 4.099 13.148 5.352 1.00 0.00 H new ATOM 0 HA ILE A 33 2.803 15.448 4.333 1.00 0.00 H new ATOM 0 HB ILE A 33 0.911 13.984 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.264 11.541 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.248 12.376 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.942 12.080 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.790 13.607 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.493 12.432 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.047 12.099 7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.336 13.824 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.664 12.976 5.582 1.00 0.00 H new ATOM 554 N LYS A 34 2.167 14.544 7.437 1.00 0.00 N ATOM 555 CA LYS A 34 1.564 14.990 8.684 1.00 0.00 C ATOM 556 C LYS A 34 2.344 16.169 9.240 1.00 0.00 C ATOM 557 O LYS A 34 1.766 17.123 9.760 1.00 0.00 O ATOM 558 CB LYS A 34 1.520 13.853 9.706 1.00 0.00 C ATOM 559 CG LYS A 34 2.863 13.175 9.929 1.00 0.00 C ATOM 560 CD LYS A 34 3.404 13.452 11.323 1.00 0.00 C ATOM 561 CE LYS A 34 3.043 12.340 12.295 1.00 0.00 C ATOM 562 NZ LYS A 34 2.312 12.858 13.486 1.00 0.00 N ATOM 0 H LYS A 34 2.728 13.696 7.517 1.00 0.00 H new ATOM 0 HA LYS A 34 0.539 15.302 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.160 14.246 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.798 13.107 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.757 12.100 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.577 13.526 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.488 13.559 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.005 14.398 11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.428 11.598 11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.951 11.832 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.084 12.069 14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.909 13.547 13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.432 13.320 13.179 1.00 0.00 H new ATOM 576 N THR A 35 3.665 16.108 9.101 1.00 0.00 N ATOM 577 CA THR A 35 4.525 17.184 9.562 1.00 0.00 C ATOM 578 C THR A 35 4.261 18.437 8.737 1.00 0.00 C ATOM 579 O THR A 35 4.444 19.559 9.211 1.00 0.00 O ATOM 580 CB THR A 35 5.995 16.780 9.455 1.00 0.00 C ATOM 581 OG1 THR A 35 6.266 15.652 10.268 1.00 0.00 O ATOM 582 CG2 THR A 35 6.952 17.880 9.864 1.00 0.00 C ATOM 0 H THR A 35 4.159 15.325 8.673 1.00 0.00 H new ATOM 0 HA THR A 35 4.303 17.390 10.609 1.00 0.00 H new ATOM 0 HB THR A 35 6.155 16.556 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.311 14.849 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.978 17.526 9.764 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.804 18.748 9.222 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.764 18.159 10.901 1.00 0.00 H new ATOM 590 N ALA A 36 3.811 18.233 7.500 1.00 0.00 N ATOM 591 CA ALA A 36 3.500 19.339 6.608 1.00 0.00 C ATOM 592 C ALA A 36 2.075 19.826 6.841 1.00 0.00 C ATOM 593 O ALA A 36 1.768 21.000 6.636 1.00 0.00 O ATOM 594 CB ALA A 36 3.689 18.919 5.158 1.00 0.00 C ATOM 0 H ALA A 36 3.655 17.309 7.096 1.00 0.00 H new ATOM 0 HA ALA A 36 4.184 20.160 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.452 19.757 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.724 18.615 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.027 18.083 4.932 1.00 0.00 H new ATOM 600 N GLU A 37 1.208 18.915 7.282 1.00 0.00 N ATOM 601 CA GLU A 37 -0.183 19.255 7.553 1.00 0.00 C ATOM 602 C GLU A 37 -0.318 19.945 8.907 1.00 0.00 C ATOM 603 O GLU A 37 -1.299 20.641 9.166 1.00 0.00 O ATOM 604 CB GLU A 37 -1.053 17.996 7.522 1.00 0.00 C ATOM 605 CG GLU A 37 -1.572 17.648 6.136 1.00 0.00 C ATOM 606 CD GLU A 37 -2.653 18.601 5.663 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.317 19.749 5.303 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.835 18.199 5.651 1.00 0.00 O ATOM 0 H GLU A 37 1.446 17.939 7.458 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.522 19.942 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.475 17.156 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.900 18.133 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.744 17.663 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.966 16.632 6.144 1.00 0.00 H new ATOM 615 N GLN A 38 0.677 19.745 9.771 1.00 0.00 N ATOM 616 CA GLN A 38 0.672 20.345 11.099 1.00 0.00 C ATOM 617 C GLN A 38 0.517 21.860 11.018 1.00 0.00 C ATOM 618 O GLN A 38 -0.257 22.454 11.768 1.00 0.00 O ATOM 619 CB GLN A 38 1.962 19.994 11.844 1.00 0.00 C ATOM 620 CG GLN A 38 1.918 18.638 12.528 1.00 0.00 C ATOM 621 CD GLN A 38 3.290 18.160 12.963 1.00 0.00 C ATOM 622 OE1 GLN A 38 3.551 16.870 12.787 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 4.107 18.943 13.451 1.00 0.00 N flip ATOM 0 H GLN A 38 1.496 19.171 9.572 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.180 19.942 11.646 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.794 20.010 11.140 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.161 20.762 12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.264 18.695 13.398 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.481 17.906 11.849 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.864 19.927 13.568 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.026 18.607 13.738 1.00 0.00 H new ATOM 632 N GLN A 39 1.258 22.483 10.105 1.00 0.00 N ATOM 633 CA GLN A 39 1.195 23.930 9.937 1.00 0.00 C ATOM 634 C GLN A 39 0.750 24.302 8.526 1.00 0.00 C ATOM 635 O GLN A 39 0.208 25.385 8.305 1.00 0.00 O ATOM 636 CB GLN A 39 2.560 24.557 10.236 1.00 0.00 C ATOM 637 CG GLN A 39 3.595 24.329 9.144 1.00 0.00 C ATOM 638 CD GLN A 39 4.435 23.090 9.386 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.028 22.926 10.452 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.491 22.209 8.392 1.00 0.00 N ATOM 0 H GLN A 39 1.905 22.011 9.474 1.00 0.00 H new ATOM 0 HA GLN A 39 0.459 24.318 10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.432 25.629 10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.939 24.149 11.173 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.089 24.239 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.248 25.199 9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.983 22.385 7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.042 21.357 8.496 1.00 0.00 H new ATOM 649 N ASN A 40 0.996 23.406 7.572 1.00 0.00 N ATOM 650 CA ASN A 40 0.632 23.654 6.185 1.00 0.00 C ATOM 651 C ASN A 40 1.422 24.831 5.633 1.00 0.00 C ATOM 652 O ASN A 40 0.855 25.767 5.068 1.00 0.00 O ATOM 653 CB ASN A 40 -0.867 23.927 6.071 1.00 0.00 C ATOM 654 CG ASN A 40 -1.677 22.656 5.906 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.905 21.954 7.010 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -2.093 22.309 4.801 1.00 0.00 N flip ATOM 0 H ASN A 40 1.445 22.505 7.737 1.00 0.00 H new ATOM 0 HA ASN A 40 0.872 22.766 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.205 24.457 6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.050 24.584 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.894 22.879 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.637 21.451 4.707 1.00 0.00 H new ATOM 663 N ALA A 41 2.740 24.775 5.806 1.00 0.00 N ATOM 664 CA ALA A 41 3.630 25.834 5.332 1.00 0.00 C ATOM 665 C ALA A 41 3.237 26.306 3.933 1.00 0.00 C ATOM 666 O ALA A 41 3.434 27.469 3.581 1.00 0.00 O ATOM 667 CB ALA A 41 5.073 25.353 5.343 1.00 0.00 C ATOM 0 H ALA A 41 3.218 24.004 6.273 1.00 0.00 H new ATOM 0 HA ALA A 41 3.534 26.682 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.725 26.151 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.357 25.077 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.172 24.486 4.690 1.00 0.00 H new ATOM 673 N SER A 42 2.677 25.395 3.144 1.00 0.00 N ATOM 674 CA SER A 42 2.251 25.717 1.788 1.00 0.00 C ATOM 675 C SER A 42 1.298 24.653 1.252 1.00 0.00 C ATOM 676 O SER A 42 1.666 23.485 1.120 1.00 0.00 O ATOM 677 CB SER A 42 3.465 25.846 0.865 1.00 0.00 C ATOM 678 OG SER A 42 3.858 27.201 0.725 1.00 0.00 O ATOM 0 H SER A 42 2.508 24.428 3.421 1.00 0.00 H new ATOM 0 HA SER A 42 1.724 26.671 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.294 25.263 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.227 25.430 -0.114 1.00 0.00 H new ATOM 0 HG SER A 42 3.840 27.639 1.601 1.00 0.00 H new ATOM 684 N ASP A 43 0.072 25.066 0.940 1.00 0.00 N ATOM 685 CA ASP A 43 -0.939 24.153 0.412 1.00 0.00 C ATOM 686 C ASP A 43 -0.362 23.310 -0.717 1.00 0.00 C ATOM 687 O ASP A 43 -0.456 22.083 -0.704 1.00 0.00 O ATOM 688 CB ASP A 43 -2.156 24.936 -0.085 1.00 0.00 C ATOM 689 CG ASP A 43 -3.303 24.912 0.905 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.035 24.843 2.123 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.470 24.963 0.464 1.00 0.00 O ATOM 0 H ASP A 43 -0.246 26.030 1.044 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.253 23.488 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.866 25.969 -0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.490 24.518 -1.034 1.00 0.00 H new ATOM 696 N ALA A 44 0.251 23.982 -1.682 1.00 0.00 N ATOM 697 CA ALA A 44 0.865 23.299 -2.811 1.00 0.00 C ATOM 698 C ALA A 44 1.957 22.355 -2.322 1.00 0.00 C ATOM 699 O ALA A 44 2.244 21.337 -2.952 1.00 0.00 O ATOM 700 CB ALA A 44 1.434 24.308 -3.796 1.00 0.00 C ATOM 0 H ALA A 44 0.336 24.998 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 44 0.102 22.713 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.890 23.781 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.633 24.950 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.188 24.918 -3.298 1.00 0.00 H new ATOM 706 N GLU A 45 2.555 22.701 -1.185 1.00 0.00 N ATOM 707 CA GLU A 45 3.609 21.888 -0.592 1.00 0.00 C ATOM 708 C GLU A 45 3.017 20.669 0.097 1.00 0.00 C ATOM 709 O GLU A 45 3.517 19.554 -0.051 1.00 0.00 O ATOM 710 CB GLU A 45 4.413 22.713 0.414 1.00 0.00 C ATOM 711 CG GLU A 45 5.815 22.176 0.659 1.00 0.00 C ATOM 712 CD GLU A 45 5.996 21.635 2.064 1.00 0.00 C ATOM 713 OE1 GLU A 45 5.211 20.750 2.465 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.923 22.095 2.763 1.00 0.00 O ATOM 0 H GLU A 45 2.325 23.542 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 45 4.273 21.554 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.484 23.740 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.874 22.743 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.028 21.386 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.540 22.971 0.484 1.00 0.00 H new ATOM 721 N VAL A 46 1.947 20.891 0.848 1.00 0.00 N ATOM 722 CA VAL A 46 1.283 19.806 1.559 1.00 0.00 C ATOM 723 C VAL A 46 0.461 18.951 0.600 1.00 0.00 C ATOM 724 O VAL A 46 0.202 17.779 0.867 1.00 0.00 O ATOM 725 CB VAL A 46 0.364 20.333 2.678 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.114 19.185 3.556 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.079 21.386 3.512 1.00 0.00 C ATOM 0 H VAL A 46 1.521 21.808 0.981 1.00 0.00 H new ATOM 0 HA VAL A 46 2.068 19.199 2.010 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.506 20.800 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.762 19.573 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.668 18.469 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.746 18.689 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.412 21.744 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.969 20.949 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.369 22.220 2.874 1.00 0.00 H new ATOM 737 N SER A 47 0.056 19.546 -0.519 1.00 0.00 N ATOM 738 CA SER A 47 -0.734 18.835 -1.516 1.00 0.00 C ATOM 739 C SER A 47 0.158 18.038 -2.459 1.00 0.00 C ATOM 740 O SER A 47 -0.296 17.095 -3.106 1.00 0.00 O ATOM 741 CB SER A 47 -1.596 19.816 -2.313 1.00 0.00 C ATOM 742 OG SER A 47 -2.663 19.146 -2.963 1.00 0.00 O ATOM 0 H SER A 47 0.262 20.516 -0.756 1.00 0.00 H new ATOM 0 HA SER A 47 -1.385 18.136 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.995 20.580 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.980 20.329 -3.052 1.00 0.00 H new ATOM 0 HG SER A 47 -3.200 19.795 -3.464 1.00 0.00 H new ATOM 748 N HIS A 48 1.425 18.420 -2.531 1.00 0.00 N ATOM 749 CA HIS A 48 2.375 17.736 -3.392 1.00 0.00 C ATOM 750 C HIS A 48 2.944 16.506 -2.696 1.00 0.00 C ATOM 751 O HIS A 48 3.273 15.511 -3.343 1.00 0.00 O ATOM 752 CB HIS A 48 3.498 18.690 -3.776 1.00 0.00 C ATOM 753 CG HIS A 48 4.353 18.193 -4.901 1.00 0.00 C ATOM 754 ND1 HIS A 48 5.701 17.936 -4.764 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.046 17.907 -6.187 1.00 0.00 C ATOM 756 CE1 HIS A 48 6.186 17.514 -5.919 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.202 17.486 -6.797 1.00 0.00 N ATOM 0 H HIS A 48 1.817 19.200 -2.003 1.00 0.00 H new ATOM 0 HA HIS A 48 1.858 17.408 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.066 19.651 -4.057 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.127 18.866 -2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.073 17.994 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.213 17.239 -6.111 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.286 17.198 -7.772 1.00 0.00 H new ATOM 766 N MET A 49 3.050 16.576 -1.374 1.00 0.00 N ATOM 767 CA MET A 49 3.572 15.464 -0.592 1.00 0.00 C ATOM 768 C MET A 49 2.530 14.364 -0.465 1.00 0.00 C ATOM 769 O MET A 49 2.857 13.179 -0.510 1.00 0.00 O ATOM 770 CB MET A 49 4.007 15.939 0.794 1.00 0.00 C ATOM 771 CG MET A 49 5.072 17.023 0.760 1.00 0.00 C ATOM 772 SD MET A 49 6.743 16.353 0.664 1.00 0.00 S ATOM 773 CE MET A 49 7.716 17.851 0.798 1.00 0.00 C ATOM 0 H MET A 49 2.781 17.391 -0.822 1.00 0.00 H new ATOM 0 HA MET A 49 4.442 15.062 -1.111 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.135 16.315 1.330 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.386 15.087 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.896 17.673 -0.097 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.984 17.642 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.776 17.601 0.755 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.467 18.521 -0.025 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.498 18.343 1.746 1.00 0.00 H new ATOM 783 N LYS A 50 1.272 14.761 -0.317 1.00 0.00 N ATOM 784 CA LYS A 50 0.192 13.795 -0.200 1.00 0.00 C ATOM 785 C LYS A 50 0.017 13.047 -1.510 1.00 0.00 C ATOM 786 O LYS A 50 -0.326 11.865 -1.520 1.00 0.00 O ATOM 787 CB LYS A 50 -1.116 14.474 0.179 1.00 0.00 C ATOM 788 CG LYS A 50 -1.162 14.953 1.620 1.00 0.00 C ATOM 789 CD LYS A 50 -2.591 15.063 2.125 1.00 0.00 C ATOM 790 CE LYS A 50 -3.143 16.467 1.938 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.621 16.511 2.114 1.00 0.00 N ATOM 0 H LYS A 50 0.978 15.737 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 50 0.456 13.092 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.278 15.325 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.938 13.778 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.604 14.262 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.672 15.923 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.221 14.350 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.626 14.795 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.672 17.141 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.885 16.829 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.958 17.486 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.073 15.888 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.866 16.190 3.072 1.00 0.00 H new ATOM 805 N LYS A 51 0.273 13.736 -2.620 1.00 0.00 N ATOM 806 CA LYS A 51 0.161 13.115 -3.931 1.00 0.00 C ATOM 807 C LYS A 51 1.021 11.860 -3.976 1.00 0.00 C ATOM 808 O LYS A 51 0.684 10.881 -4.642 1.00 0.00 O ATOM 809 CB LYS A 51 0.592 14.091 -5.029 1.00 0.00 C ATOM 810 CG LYS A 51 0.517 13.505 -6.428 1.00 0.00 C ATOM 811 CD LYS A 51 1.688 13.955 -7.286 1.00 0.00 C ATOM 812 CE LYS A 51 2.134 12.859 -8.242 1.00 0.00 C ATOM 813 NZ LYS A 51 3.402 12.216 -7.798 1.00 0.00 N ATOM 0 H LYS A 51 0.557 14.716 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.880 12.845 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.038 14.979 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.614 14.415 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.507 12.417 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.418 13.807 -6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.405 14.841 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.522 14.241 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.352 12.104 -8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.270 13.280 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.672 11.475 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.155 12.931 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.266 11.792 -6.858 1.00 0.00 H new ATOM 827 N GLN A 52 2.125 11.894 -3.234 1.00 0.00 N ATOM 828 CA GLN A 52 3.025 10.755 -3.158 1.00 0.00 C ATOM 829 C GLN A 52 2.508 9.739 -2.143 1.00 0.00 C ATOM 830 O GLN A 52 2.899 8.572 -2.167 1.00 0.00 O ATOM 831 CB GLN A 52 4.434 11.215 -2.776 1.00 0.00 C ATOM 832 CG GLN A 52 4.991 12.293 -3.692 1.00 0.00 C ATOM 833 CD GLN A 52 6.177 11.813 -4.505 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.017 11.116 -5.507 1.00 0.00 O ATOM 835 NE2 GLN A 52 7.378 12.185 -4.076 1.00 0.00 N ATOM 0 H GLN A 52 2.415 12.699 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 52 3.067 10.279 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.420 11.591 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.104 10.356 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.206 12.632 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.290 13.154 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.464 12.763 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.214 11.892 -4.582 1.00 0.00 H new ATOM 844 N LYS A 53 1.620 10.187 -1.253 1.00 0.00 N ATOM 845 CA LYS A 53 1.043 9.314 -0.238 1.00 0.00 C ATOM 846 C LYS A 53 0.204 8.222 -0.882 1.00 0.00 C ATOM 847 O LYS A 53 0.486 7.035 -0.733 1.00 0.00 O ATOM 848 CB LYS A 53 0.172 10.125 0.713 1.00 0.00 C ATOM 849 CG LYS A 53 0.121 9.566 2.125 1.00 0.00 C ATOM 850 CD LYS A 53 -1.269 9.698 2.728 1.00 0.00 C ATOM 851 CE LYS A 53 -2.237 8.697 2.117 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.189 8.158 3.127 1.00 0.00 N ATOM 0 H LYS A 53 1.287 11.150 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 53 1.859 8.851 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.546 11.148 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.841 10.171 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.415 8.516 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.842 10.091 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.216 9.543 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.641 10.710 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.794 9.176 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.676 7.875 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.832 7.479 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.659 7.679 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.742 8.939 3.534 1.00 0.00 H new ATOM 866 N LEU A 54 -0.822 8.643 -1.607 1.00 0.00 N ATOM 867 CA LEU A 54 -1.709 7.715 -2.295 1.00 0.00 C ATOM 868 C LEU A 54 -0.912 6.844 -3.253 1.00 0.00 C ATOM 869 O LEU A 54 -1.332 5.744 -3.612 1.00 0.00 O ATOM 870 CB LEU A 54 -2.792 8.480 -3.057 1.00 0.00 C ATOM 871 CG LEU A 54 -3.823 7.603 -3.771 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.067 7.435 -2.913 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.184 8.199 -5.124 1.00 0.00 C ATOM 0 H LEU A 54 -1.062 9.626 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.190 7.077 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.315 9.133 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.311 9.123 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.383 6.619 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.789 6.809 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.796 6.964 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.509 8.412 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.918 7.562 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.604 9.195 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.289 8.267 -5.742 1.00 0.00 H new ATOM 885 N LYS A 55 0.255 7.342 -3.652 1.00 0.00 N ATOM 886 CA LYS A 55 1.126 6.605 -4.554 1.00 0.00 C ATOM 887 C LYS A 55 1.934 5.595 -3.766 1.00 0.00 C ATOM 888 O LYS A 55 1.957 4.409 -4.092 1.00 0.00 O ATOM 889 CB LYS A 55 2.049 7.555 -5.319 1.00 0.00 C ATOM 890 CG LYS A 55 1.542 7.907 -6.708 1.00 0.00 C ATOM 891 CD LYS A 55 1.464 6.679 -7.601 1.00 0.00 C ATOM 892 CE LYS A 55 1.397 7.061 -9.070 1.00 0.00 C ATOM 893 NZ LYS A 55 2.673 7.665 -9.546 1.00 0.00 N ATOM 0 H LYS A 55 0.616 8.251 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 55 0.512 6.079 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.172 8.472 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.035 7.099 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.556 8.365 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.203 8.646 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.335 6.046 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.585 6.091 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.170 6.176 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.581 7.767 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.730 7.586 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.705 8.668 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.476 7.163 -9.116 1.00 0.00 H new ATOM 907 N LEU A 56 2.560 6.064 -2.697 1.00 0.00 N ATOM 908 CA LEU A 56 3.324 5.185 -1.835 1.00 0.00 C ATOM 909 C LEU A 56 2.369 4.294 -1.053 1.00 0.00 C ATOM 910 O LEU A 56 2.788 3.340 -0.397 1.00 0.00 O ATOM 911 CB LEU A 56 4.210 5.992 -0.881 1.00 0.00 C ATOM 912 CG LEU A 56 5.710 5.916 -1.170 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.411 7.178 -0.690 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.315 4.685 -0.515 1.00 0.00 C ATOM 0 H LEU A 56 2.552 7.043 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 56 3.977 4.564 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.901 7.037 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.033 5.644 0.137 1.00 0.00 H new ATOM 0 HG LEU A 56 5.851 5.836 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.477 7.106 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.995 8.044 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.263 7.290 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.383 4.646 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.164 4.735 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.833 3.790 -0.908 1.00 0.00 H new ATOM 926 N LYS A 57 1.070 4.599 -1.145 1.00 0.00 N ATOM 927 CA LYS A 57 0.060 3.805 -0.465 1.00 0.00 C ATOM 928 C LYS A 57 -0.353 2.640 -1.349 1.00 0.00 C ATOM 929 O LYS A 57 -0.701 1.567 -0.861 1.00 0.00 O ATOM 930 CB LYS A 57 -1.164 4.655 -0.116 1.00 0.00 C ATOM 931 CG LYS A 57 -2.328 3.847 0.438 1.00 0.00 C ATOM 932 CD LYS A 57 -3.628 4.633 0.382 1.00 0.00 C ATOM 933 CE LYS A 57 -4.799 3.746 -0.010 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.156 3.900 -1.447 1.00 0.00 N ATOM 0 H LYS A 57 0.703 5.385 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 57 0.486 3.426 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.875 5.410 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.494 5.186 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.435 2.924 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.117 3.563 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.823 5.086 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.531 5.448 -0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.549 2.705 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.663 3.992 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.959 3.279 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.419 4.888 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.340 3.641 -2.037 1.00 0.00 H new ATOM 948 N ASP A 58 -0.309 2.863 -2.657 1.00 0.00 N ATOM 949 CA ASP A 58 -0.675 1.832 -3.614 1.00 0.00 C ATOM 950 C ASP A 58 0.234 0.621 -3.465 1.00 0.00 C ATOM 951 O ASP A 58 -0.199 -0.513 -3.646 1.00 0.00 O ATOM 952 CB ASP A 58 -0.598 2.375 -5.042 1.00 0.00 C ATOM 953 CG ASP A 58 -1.854 3.124 -5.444 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.944 2.761 -4.954 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.747 4.074 -6.248 1.00 0.00 O ATOM 0 H ASP A 58 -0.024 3.748 -3.076 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.701 1.526 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.262 3.039 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.434 1.549 -5.734 1.00 0.00 H new ATOM 960 N GLU A 59 1.496 0.867 -3.128 1.00 0.00 N ATOM 961 CA GLU A 59 2.460 -0.215 -2.953 1.00 0.00 C ATOM 962 C GLU A 59 2.199 -0.975 -1.655 1.00 0.00 C ATOM 963 O GLU A 59 2.275 -2.203 -1.619 1.00 0.00 O ATOM 964 CB GLU A 59 3.889 0.327 -2.966 1.00 0.00 C ATOM 965 CG GLU A 59 4.114 1.493 -2.014 1.00 0.00 C ATOM 966 CD GLU A 59 5.493 2.108 -2.162 1.00 0.00 C ATOM 967 OE1 GLU A 59 5.781 2.667 -3.241 1.00 0.00 O ATOM 968 OE2 GLU A 59 6.284 2.031 -1.198 1.00 0.00 O ATOM 0 H GLU A 59 1.874 1.801 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 59 2.340 -0.906 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.575 -0.479 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.138 0.644 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.358 2.257 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.981 1.151 -0.988 1.00 0.00 H new ATOM 975 N ILE A 60 1.878 -0.239 -0.596 1.00 0.00 N ATOM 976 CA ILE A 60 1.591 -0.849 0.697 1.00 0.00 C ATOM 977 C ILE A 60 0.201 -1.468 0.680 1.00 0.00 C ATOM 978 O ILE A 60 -0.031 -2.522 1.273 1.00 0.00 O ATOM 979 CB ILE A 60 1.686 0.181 1.846 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.140 0.622 2.044 1.00 0.00 C ATOM 981 CG2 ILE A 60 1.120 -0.394 3.140 1.00 0.00 C ATOM 982 CD1 ILE A 60 4.020 -0.434 2.681 1.00 0.00 C ATOM 0 H ILE A 60 1.810 0.779 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 60 2.339 -1.622 0.873 1.00 0.00 H new ATOM 0 HB ILE A 60 1.090 1.053 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.561 0.897 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.156 1.518 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.198 0.349 3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.073 -0.659 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.684 -1.284 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.033 -0.047 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.625 -0.693 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.036 -1.323 2.051 1.00 0.00 H new ATOM 994 N HIS A 61 -0.714 -0.813 -0.025 1.00 0.00 N ATOM 995 CA HIS A 61 -2.078 -1.302 -0.145 1.00 0.00 C ATOM 996 C HIS A 61 -2.109 -2.477 -1.105 1.00 0.00 C ATOM 997 O HIS A 61 -2.819 -3.458 -0.887 1.00 0.00 O ATOM 998 CB HIS A 61 -3.009 -0.193 -0.635 1.00 0.00 C ATOM 999 CG HIS A 61 -4.439 -0.396 -0.244 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.214 0.257 0.655 1.00 0.00 N flip ATOM 1001 CD2 HIS A 61 -5.240 -1.374 -0.797 1.00 0.00 C flip ATOM 1002 CE1 HIS A 61 -6.454 -0.330 0.628 1.00 0.00 C flip ATOM 1003 NE2 HIS A 61 -6.445 -1.310 -0.257 1.00 0.00 N flip ATOM 0 H HIS A 61 -0.533 0.059 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.426 -1.626 0.836 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.664 0.762 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.944 -0.128 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.931 -2.081 -1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.300 -0.038 1.232 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.234 -1.915 -0.485 1.00 0.00 H new ATOM 1012 N SER A 62 -1.311 -2.376 -2.162 1.00 0.00 N ATOM 1013 CA SER A 62 -1.227 -3.443 -3.148 1.00 0.00 C ATOM 1014 C SER A 62 -0.634 -4.691 -2.511 1.00 0.00 C ATOM 1015 O SER A 62 -0.980 -5.813 -2.881 1.00 0.00 O ATOM 1016 CB SER A 62 -0.377 -3.015 -4.346 1.00 0.00 C ATOM 1017 OG SER A 62 -0.138 -4.106 -5.218 1.00 0.00 O ATOM 0 H SER A 62 -0.717 -1.570 -2.356 1.00 0.00 H new ATOM 0 HA SER A 62 -2.234 -3.662 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.883 -2.216 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.573 -2.610 -3.996 1.00 0.00 H new ATOM 0 HG SER A 62 0.406 -3.806 -5.976 1.00 0.00 H new ATOM 1023 N MET A 63 0.260 -4.490 -1.541 1.00 0.00 N ATOM 1024 CA MET A 63 0.887 -5.609 -0.850 1.00 0.00 C ATOM 1025 C MET A 63 -0.170 -6.508 -0.218 1.00 0.00 C ATOM 1026 O MET A 63 -0.089 -7.732 -0.306 1.00 0.00 O ATOM 1027 CB MET A 63 1.857 -5.101 0.219 1.00 0.00 C ATOM 1028 CG MET A 63 3.301 -5.040 -0.253 1.00 0.00 C ATOM 1029 SD MET A 63 3.933 -6.648 -0.765 1.00 0.00 S ATOM 1030 CE MET A 63 5.577 -6.607 -0.057 1.00 0.00 C ATOM 0 H MET A 63 0.562 -3.570 -1.221 1.00 0.00 H new ATOM 0 HA MET A 63 1.447 -6.193 -1.581 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.545 -4.107 0.538 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.796 -5.750 1.092 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.377 -4.342 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.925 -4.648 0.550 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.318 -6.670 -0.854 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.713 -5.676 0.493 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.702 -7.451 0.622 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.168 -5.890 0.408 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.246 -6.640 1.040 1.00 0.00 C ATOM 1042 C ILE A 64 -3.004 -7.456 0.003 1.00 0.00 C ATOM 1043 O ILE A 64 -3.340 -8.616 0.235 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.230 -5.705 1.770 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.536 -5.018 2.946 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.456 -6.474 2.248 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.674 -3.513 2.926 1.00 0.00 C ATOM 0 H ILE A 64 -1.251 -4.877 0.490 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.793 -7.308 1.772 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.562 -4.941 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.951 -5.401 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.478 -5.279 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.136 -5.793 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.964 -6.918 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.146 -7.262 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.159 -3.089 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.233 -3.119 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.730 -3.244 2.966 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.260 -6.845 -1.149 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.966 -7.524 -2.225 1.00 0.00 C ATOM 1061 C ILE A 65 -3.241 -8.807 -2.597 1.00 0.00 C ATOM 1062 O ILE A 65 -3.854 -9.868 -2.724 1.00 0.00 O ATOM 1063 CB ILE A 65 -4.087 -6.636 -3.477 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.652 -5.260 -3.111 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.960 -7.311 -4.525 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.970 -5.323 -2.367 1.00 0.00 C ATOM 0 H ILE A 65 -2.990 -5.884 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.969 -7.750 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.091 -6.495 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.924 -4.729 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.787 -4.678 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.035 -6.670 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.516 -8.265 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.955 -7.482 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.309 -4.312 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.714 -5.825 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.837 -5.877 -1.438 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.927 -8.705 -2.751 1.00 0.00 N ATOM 1079 CA GLU A 66 -1.111 -9.860 -3.085 1.00 0.00 C ATOM 1080 C GLU A 66 -0.933 -10.747 -1.858 1.00 0.00 C ATOM 1081 O GLU A 66 -0.552 -11.912 -1.975 1.00 0.00 O ATOM 1082 CB GLU A 66 0.252 -9.416 -3.618 1.00 0.00 C ATOM 1083 CG GLU A 66 0.764 -10.269 -4.767 1.00 0.00 C ATOM 1084 CD GLU A 66 1.357 -9.442 -5.890 1.00 0.00 C ATOM 1085 OE1 GLU A 66 0.602 -9.057 -6.807 1.00 0.00 O ATOM 1086 OE2 GLU A 66 2.577 -9.177 -5.853 1.00 0.00 O ATOM 0 H GLU A 66 -1.406 -7.834 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.617 -10.431 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.183 -8.380 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.977 -9.444 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.519 -10.960 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.055 -10.873 -5.159 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.215 -10.191 -0.680 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.088 -10.942 0.562 1.00 0.00 C ATOM 1095 C TYR A 67 -2.351 -11.746 0.842 1.00 0.00 C ATOM 1096 O TYR A 67 -2.290 -12.854 1.374 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.805 -10.000 1.732 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.049 -10.662 2.862 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.621 -11.695 3.594 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.237 -10.258 3.195 1.00 0.00 C ATOM 1101 CE1 TYR A 67 0.067 -12.307 4.625 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.933 -10.864 4.224 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.343 -11.887 4.935 1.00 0.00 C ATOM 1104 OH TYR A 67 2.031 -12.493 5.962 1.00 0.00 O ATOM 0 H TYR A 67 -1.531 -9.228 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.252 -11.633 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.232 -9.146 1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.749 -9.612 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.621 -12.026 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.702 -9.456 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.392 -13.109 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.933 -10.538 4.469 1.00 0.00 H new ATOM 0 HH TYR A 67 2.916 -12.081 6.051 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.497 -11.177 0.483 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.777 -11.839 0.699 1.00 0.00 C ATOM 1116 C ARG A 68 -4.972 -12.989 -0.285 1.00 0.00 C ATOM 1117 O ARG A 68 -5.689 -13.948 0.004 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.924 -10.834 0.570 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.092 -10.278 -0.837 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.532 -10.386 -1.316 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.613 -10.869 -2.693 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.684 -10.718 -3.469 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -9.764 -10.100 -3.009 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -8.674 -11.187 -4.709 1.00 0.00 N ATOM 0 H ARG A 68 -3.565 -10.260 0.042 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.778 -12.250 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.853 -11.315 0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.751 -10.008 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.780 -9.234 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.439 -10.818 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.083 -11.061 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.013 -9.410 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.802 -11.350 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.777 -9.737 -2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.581 -9.987 -3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.846 -11.663 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.494 -11.072 -5.304 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.332 -12.892 -1.449 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.444 -13.932 -2.465 1.00 0.00 C ATOM 1140 C GLU A 69 -3.583 -15.140 -2.108 1.00 0.00 C ATOM 1141 O GLU A 69 -3.880 -16.263 -2.506 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.041 -13.386 -3.836 1.00 0.00 C ATOM 1143 CG GLU A 69 -5.076 -13.639 -4.920 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.686 -13.032 -6.254 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -3.470 -12.901 -6.514 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -5.594 -12.687 -7.038 1.00 0.00 O ATOM 0 H GLU A 69 -3.734 -12.108 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.485 -14.252 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.868 -12.313 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.096 -13.839 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.215 -14.713 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.035 -13.227 -4.605 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.528 -14.902 -1.336 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.639 -15.966 -0.903 1.00 0.00 C ATOM 1155 C LYS A 70 -2.136 -16.521 0.419 1.00 0.00 C ATOM 1156 O LYS A 70 -2.019 -17.709 0.689 1.00 0.00 O ATOM 1157 CB LYS A 70 -0.204 -15.455 -0.760 1.00 0.00 C ATOM 1158 CG LYS A 70 -0.064 -14.298 0.215 1.00 0.00 C ATOM 1159 CD LYS A 70 1.349 -14.201 0.770 1.00 0.00 C ATOM 1160 CE LYS A 70 2.077 -12.980 0.232 1.00 0.00 C ATOM 1161 NZ LYS A 70 1.950 -12.864 -1.247 1.00 0.00 N ATOM 0 H LYS A 70 -2.270 -13.975 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.637 -16.756 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.434 -16.275 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.160 -15.141 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.323 -13.366 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.770 -14.426 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.311 -14.153 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.906 -15.101 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.676 -12.082 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.131 -13.038 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.745 -12.307 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.962 -13.813 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.054 -12.391 -1.482 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.716 -15.646 1.231 1.00 0.00 N ATOM 1176 CA GLN A 71 -3.260 -16.046 2.516 1.00 0.00 C ATOM 1177 C GLN A 71 -4.560 -16.795 2.307 1.00 0.00 C ATOM 1178 O GLN A 71 -4.903 -17.682 3.083 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.485 -14.821 3.407 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.526 -15.140 4.892 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.927 -15.443 5.387 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.881 -15.466 4.610 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -5.059 -15.676 6.689 1.00 0.00 N ATOM 0 H GLN A 71 -2.820 -14.654 1.019 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.547 -16.703 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.690 -14.098 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.422 -14.344 3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.881 -15.995 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.122 -14.297 5.452 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.241 -15.647 7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.978 -15.884 7.079 1.00 0.00 H new ATOM 1192 N LYS A 72 -5.271 -16.458 1.242 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.516 -17.140 0.946 1.00 0.00 C ATOM 1194 C LYS A 72 -6.256 -18.343 0.056 1.00 0.00 C ATOM 1195 O LYS A 72 -7.033 -19.292 0.032 1.00 0.00 O ATOM 1196 CB LYS A 72 -7.527 -16.193 0.293 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.150 -15.203 1.265 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.471 -15.718 1.815 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.587 -15.470 3.310 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.993 -15.586 3.785 1.00 0.00 N ATOM 0 H LYS A 72 -5.011 -15.728 0.579 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.946 -17.485 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.032 -15.642 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.319 -16.783 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.460 -15.016 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.311 -14.250 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.297 -15.228 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.558 -16.786 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.963 -16.185 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.206 -14.476 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.029 -15.410 4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.585 -14.887 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.349 -16.543 3.586 1.00 0.00 H new ATOM 1214 N SER A 73 -5.143 -18.313 -0.658 1.00 0.00 N ATOM 1215 CA SER A 73 -4.775 -19.422 -1.515 1.00 0.00 C ATOM 1216 C SER A 73 -3.932 -20.406 -0.726 1.00 0.00 C ATOM 1217 O SER A 73 -4.024 -21.619 -0.917 1.00 0.00 O ATOM 1218 CB SER A 73 -4.001 -18.923 -2.730 1.00 0.00 C ATOM 1219 OG SER A 73 -3.648 -19.994 -3.587 1.00 0.00 O ATOM 0 H SER A 73 -4.483 -17.535 -0.660 1.00 0.00 H new ATOM 0 HA SER A 73 -5.680 -19.918 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.605 -18.200 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.100 -18.404 -2.403 1.00 0.00 H new ATOM 0 HG SER A 73 -3.154 -19.646 -4.359 1.00 0.00 H new ATOM 1225 N GLU A 74 -3.108 -19.869 0.172 1.00 0.00 N ATOM 1226 CA GLU A 74 -2.245 -20.699 1.003 1.00 0.00 C ATOM 1227 C GLU A 74 -2.964 -21.152 2.273 1.00 0.00 C ATOM 1228 O GLU A 74 -2.849 -22.312 2.667 1.00 0.00 O ATOM 1229 CB GLU A 74 -0.962 -19.953 1.370 1.00 0.00 C ATOM 1230 CG GLU A 74 0.143 -20.858 1.887 1.00 0.00 C ATOM 1231 CD GLU A 74 1.516 -20.228 1.771 1.00 0.00 C ATOM 1232 OE1 GLU A 74 2.028 -20.125 0.635 1.00 0.00 O ATOM 1233 OE2 GLU A 74 2.080 -19.836 2.814 1.00 0.00 O ATOM 0 H GLU A 74 -3.021 -18.867 0.341 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.985 -21.583 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.600 -19.417 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.191 -19.205 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.053 -21.104 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.130 -21.795 1.331 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.713 -20.249 2.912 1.00 0.00 N ATOM 1241 CA ARG A 75 -4.437 -20.615 4.123 1.00 0.00 C ATOM 1242 C ARG A 75 -5.832 -21.100 3.775 1.00 0.00 C ATOM 1243 O ARG A 75 -6.386 -21.970 4.446 1.00 0.00 O ATOM 1244 CB ARG A 75 -4.509 -19.447 5.109 1.00 0.00 C ATOM 1245 CG ARG A 75 -3.202 -18.682 5.244 1.00 0.00 C ATOM 1246 CD ARG A 75 -2.970 -18.218 6.674 1.00 0.00 C ATOM 1247 NE ARG A 75 -1.720 -18.738 7.227 1.00 0.00 N ATOM 1248 CZ ARG A 75 -0.526 -18.188 7.012 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -0.411 -17.110 6.247 1.00 0.00 N ATOM 1250 NH2 ARG A 75 0.557 -18.721 7.562 1.00 0.00 N ATOM 0 H ARG A 75 -3.830 -19.280 2.616 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.890 -21.424 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.291 -18.759 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.801 -19.827 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.374 -19.317 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.214 -17.819 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.953 -17.129 6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.803 -18.540 7.298 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.765 -19.572 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.240 -16.697 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.506 -16.694 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.475 -19.551 8.149 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.472 -18.301 7.398 1.00 0.00 H new ATOM 1264 N ALA A 76 -6.396 -20.531 2.715 1.00 0.00 N ATOM 1265 CA ALA A 76 -7.735 -20.918 2.278 1.00 0.00 C ATOM 1266 C ALA A 76 -7.684 -21.709 0.975 1.00 0.00 C ATOM 1267 O ALA A 76 -8.761 -22.112 0.486 1.00 0.00 O ATOM 1268 CB ALA A 76 -8.625 -19.692 2.127 1.00 0.00 C ATOM 1269 OXT ALA A 76 -6.569 -21.919 0.455 1.00 0.00 O ATOM 0 H ALA A 76 -5.954 -19.808 2.147 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.163 -21.564 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.618 -20.001 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.702 -19.178 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.194 -19.018 1.387 1.00 0.00 H new