USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0945 (180deg=-0.732) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.366 (180deg=0.0389) USER MOD Single : A 4 THR OG1 : rot -140:sc= -0.845 USER MOD Single : A 6 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.21) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 14 SER OG : rot -89:sc= -0.277 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -112:sc= -0.308 (180deg=-2.07!) USER MOD Single : A 22 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 26 CYS SG : rot 28:sc= -0.893! USER MOD Single : A 27 THR OG1 : rot 49:sc= 0.242 USER MOD Single : A 30 HIS : no HE2:sc= 0.35 K(o=0.35,f=-1.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD Single : A 37 TYR OH : rot 86:sc= 0.206 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0.418 (180deg=0.229) USER MOD Single : A 48 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 44:sc= 0.507 USER MOD Single : A 63 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.16) USER MOD Single : A 68 HIS : no HD1:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.019) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=-0.05) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.796 10.405 -0.479 1.00 0.00 N ATOM 2 CA MET A 1 6.444 9.765 -1.637 1.00 0.00 C ATOM 3 C MET A 1 5.407 9.496 -2.736 1.00 0.00 C ATOM 4 O MET A 1 4.265 9.110 -2.450 1.00 0.00 O ATOM 5 CB MET A 1 7.167 8.468 -1.200 1.00 0.00 C ATOM 6 CG MET A 1 6.265 7.361 -0.633 1.00 0.00 C ATOM 7 SD MET A 1 7.216 5.986 0.039 1.00 0.00 S ATOM 8 CE MET A 1 8.021 6.740 1.455 1.00 0.00 C ATOM 0 H1 MET A 1 6.099 9.929 0.395 1.00 0.00 H new ATOM 0 H2 MET A 1 6.068 11.408 -0.439 1.00 0.00 H new ATOM 0 H3 MET A 1 4.763 10.330 -0.574 1.00 0.00 H new ATOM 0 HA MET A 1 7.198 10.438 -2.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.706 8.068 -2.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.912 8.725 -0.447 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.629 7.777 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.605 6.994 -1.419 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.340 5.962 2.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.890 7.306 1.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.323 7.410 1.956 1.00 0.00 H new ATOM 20 N LEU A 2 5.804 9.739 -3.990 1.00 0.00 N ATOM 21 CA LEU A 2 4.958 9.519 -5.166 1.00 0.00 C ATOM 22 C LEU A 2 4.986 8.032 -5.528 1.00 0.00 C ATOM 23 O LEU A 2 5.971 7.548 -6.095 1.00 0.00 O ATOM 24 CB LEU A 2 5.454 10.383 -6.361 1.00 0.00 C ATOM 25 CG LEU A 2 4.588 10.313 -7.664 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.161 10.822 -7.413 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.263 11.075 -8.819 1.00 0.00 C ATOM 0 H LEU A 2 6.731 10.098 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 2 3.934 9.817 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.503 11.422 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.471 10.077 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 2 4.513 9.266 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.585 10.761 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.685 10.209 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.198 11.858 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.640 11.010 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.389 12.121 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.238 10.634 -9.025 1.00 0.00 H new ATOM 39 N VAL A 3 3.935 7.303 -5.139 1.00 0.00 N ATOM 40 CA VAL A 3 3.806 5.852 -5.396 1.00 0.00 C ATOM 41 C VAL A 3 2.516 5.556 -6.172 1.00 0.00 C ATOM 42 O VAL A 3 1.459 6.117 -5.872 1.00 0.00 O ATOM 43 CB VAL A 3 3.843 5.032 -4.049 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.247 5.099 -3.418 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.767 5.531 -3.040 1.00 0.00 C ATOM 0 H VAL A 3 3.142 7.698 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 3 4.656 5.540 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 3 3.612 3.994 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.256 4.528 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.977 4.678 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.502 6.138 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.825 4.941 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.946 6.581 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.776 5.421 -3.481 1.00 0.00 H new ATOM 55 N THR A 4 2.618 4.668 -7.171 1.00 0.00 N ATOM 56 CA THR A 4 1.497 4.278 -8.017 1.00 0.00 C ATOM 57 C THR A 4 0.546 3.369 -7.226 1.00 0.00 C ATOM 58 O THR A 4 0.762 2.164 -7.109 1.00 0.00 O ATOM 59 CB THR A 4 2.013 3.561 -9.307 1.00 0.00 C ATOM 60 OG1 THR A 4 3.011 4.373 -9.938 1.00 0.00 O ATOM 61 CG2 THR A 4 0.883 3.280 -10.313 1.00 0.00 C ATOM 0 H THR A 4 3.492 4.200 -7.411 1.00 0.00 H new ATOM 0 HA THR A 4 0.951 5.170 -8.325 1.00 0.00 H new ATOM 0 HB THR A 4 2.432 2.602 -9.001 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.892 4.341 -10.910 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.293 2.781 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.134 2.639 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.421 4.220 -10.613 1.00 0.00 H new ATOM 69 N ILE A 5 -0.515 3.967 -6.680 1.00 0.00 N ATOM 70 CA ILE A 5 -1.508 3.257 -5.891 1.00 0.00 C ATOM 71 C ILE A 5 -2.687 2.855 -6.787 1.00 0.00 C ATOM 72 O ILE A 5 -3.441 3.717 -7.249 1.00 0.00 O ATOM 73 CB ILE A 5 -2.007 4.102 -4.664 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.792 4.527 -3.786 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.044 3.308 -3.824 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.135 5.418 -2.606 1.00 0.00 C ATOM 0 H ILE A 5 -0.705 4.964 -6.777 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.036 2.362 -5.486 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.503 4.998 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.300 3.629 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.071 5.046 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.372 3.917 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.902 3.058 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.586 2.391 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.225 5.660 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.597 6.337 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.830 4.897 -1.947 1.00 0.00 H new ATOM 88 N ASN A 6 -2.778 1.534 -7.068 1.00 0.00 N ATOM 89 CA ASN A 6 -3.883 0.921 -7.834 1.00 0.00 C ATOM 90 C ASN A 6 -3.933 1.468 -9.287 1.00 0.00 C ATOM 91 O ASN A 6 -4.977 1.465 -9.935 1.00 0.00 O ATOM 92 CB ASN A 6 -5.225 1.110 -7.038 1.00 0.00 C ATOM 93 CG ASN A 6 -6.453 0.406 -7.620 1.00 0.00 C ATOM 94 OD1 ASN A 6 -7.581 0.876 -7.462 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.268 -0.737 -8.251 1.00 0.00 N ATOM 0 H ASN A 6 -2.077 0.858 -6.765 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.716 -0.151 -7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.074 0.752 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.439 2.177 -6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.068 -1.251 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.325 -1.107 -8.370 1.00 0.00 H new ATOM 102 N GLY A 7 -2.756 1.869 -9.811 1.00 0.00 N ATOM 103 CA GLY A 7 -2.639 2.425 -11.170 1.00 0.00 C ATOM 104 C GLY A 7 -2.643 3.957 -11.215 1.00 0.00 C ATOM 105 O GLY A 7 -2.420 4.538 -12.279 1.00 0.00 O ATOM 0 H GLY A 7 -1.870 1.816 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.717 2.060 -11.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.463 2.051 -11.778 1.00 0.00 H new ATOM 109 N GLU A 8 -2.884 4.605 -10.065 1.00 0.00 N ATOM 110 CA GLU A 8 -2.846 6.075 -9.929 1.00 0.00 C ATOM 111 C GLU A 8 -1.569 6.491 -9.188 1.00 0.00 C ATOM 112 O GLU A 8 -1.444 6.196 -8.005 1.00 0.00 O ATOM 113 CB GLU A 8 -4.083 6.571 -9.129 1.00 0.00 C ATOM 114 CG GLU A 8 -4.080 8.083 -8.830 1.00 0.00 C ATOM 115 CD GLU A 8 -5.148 8.502 -7.813 1.00 0.00 C ATOM 116 OE1 GLU A 8 -4.868 8.479 -6.597 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.276 8.839 -8.218 1.00 0.00 O ATOM 0 H GLU A 8 -3.113 4.123 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.858 6.520 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.985 6.325 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.134 6.026 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.098 8.370 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.238 8.630 -9.759 1.00 0.00 H new ATOM 124 N GLN A 9 -0.637 7.184 -9.871 1.00 0.00 N ATOM 125 CA GLN A 9 0.563 7.752 -9.221 1.00 0.00 C ATOM 126 C GLN A 9 0.124 8.837 -8.216 1.00 0.00 C ATOM 127 O GLN A 9 -0.252 9.945 -8.612 1.00 0.00 O ATOM 128 CB GLN A 9 1.551 8.326 -10.271 1.00 0.00 C ATOM 129 CG GLN A 9 2.068 7.275 -11.281 1.00 0.00 C ATOM 130 CD GLN A 9 3.177 7.799 -12.188 1.00 0.00 C ATOM 131 OE1 GLN A 9 2.912 8.337 -13.254 1.00 0.00 O ATOM 132 NE2 GLN A 9 4.425 7.629 -11.782 1.00 0.00 N ATOM 0 H GLN A 9 -0.691 7.365 -10.873 1.00 0.00 H new ATOM 0 HA GLN A 9 1.091 6.961 -8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.059 9.130 -10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.402 8.767 -9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.436 6.407 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.236 6.934 -11.897 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.613 7.177 -10.887 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.199 7.951 -12.364 1.00 0.00 H new ATOM 141 N ARG A 10 0.146 8.481 -6.923 1.00 0.00 N ATOM 142 CA ARG A 10 -0.416 9.287 -5.832 1.00 0.00 C ATOM 143 C ARG A 10 0.695 9.674 -4.846 1.00 0.00 C ATOM 144 O ARG A 10 1.438 8.809 -4.368 1.00 0.00 O ATOM 145 CB ARG A 10 -1.533 8.494 -5.100 1.00 0.00 C ATOM 146 CG ARG A 10 -2.338 9.330 -4.076 1.00 0.00 C ATOM 147 CD ARG A 10 -3.468 8.535 -3.414 1.00 0.00 C ATOM 148 NE ARG A 10 -4.402 9.413 -2.684 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.682 9.637 -3.029 1.00 0.00 C ATOM 150 NH1 ARG A 10 -6.206 9.050 -4.099 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.425 10.455 -2.313 1.00 0.00 N ATOM 0 H ARG A 10 0.563 7.608 -6.601 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.852 10.195 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.221 8.089 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.083 7.645 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.662 9.701 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.759 10.202 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.014 7.977 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.043 7.804 -2.726 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.049 9.887 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.636 8.423 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.178 9.226 -4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.030 10.920 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.396 10.624 -2.576 1.00 0.00 H new ATOM 165 N GLU A 11 0.789 10.978 -4.562 1.00 0.00 N ATOM 166 CA GLU A 11 1.774 11.568 -3.654 1.00 0.00 C ATOM 167 C GLU A 11 1.241 11.509 -2.214 1.00 0.00 C ATOM 168 O GLU A 11 0.355 12.284 -1.838 1.00 0.00 O ATOM 169 CB GLU A 11 2.057 13.025 -4.110 1.00 0.00 C ATOM 170 CG GLU A 11 3.056 13.811 -3.243 1.00 0.00 C ATOM 171 CD GLU A 11 4.429 13.143 -3.146 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.158 13.100 -4.159 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.776 12.637 -2.068 1.00 0.00 O ATOM 0 H GLU A 11 0.162 11.671 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 11 2.711 11.012 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.432 13.000 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.113 13.570 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.175 14.813 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.644 13.926 -2.240 1.00 0.00 H new ATOM 180 N VAL A 12 1.756 10.548 -1.430 1.00 0.00 N ATOM 181 CA VAL A 12 1.312 10.289 -0.040 1.00 0.00 C ATOM 182 C VAL A 12 2.346 10.800 0.974 1.00 0.00 C ATOM 183 O VAL A 12 3.456 11.176 0.598 1.00 0.00 O ATOM 184 CB VAL A 12 1.039 8.757 0.190 1.00 0.00 C ATOM 185 CG1 VAL A 12 -0.089 8.268 -0.744 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.327 7.904 0.019 1.00 0.00 C ATOM 0 H VAL A 12 2.498 9.921 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 12 0.380 10.833 0.113 1.00 0.00 H new ATOM 0 HB VAL A 12 0.713 8.627 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.267 7.206 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.001 8.827 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.204 8.425 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.092 6.853 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.717 8.032 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.076 8.228 0.741 1.00 0.00 H new ATOM 196 N GLN A 13 1.953 10.831 2.261 1.00 0.00 N ATOM 197 CA GLN A 13 2.812 11.322 3.372 1.00 0.00 C ATOM 198 C GLN A 13 3.253 10.176 4.303 1.00 0.00 C ATOM 199 O GLN A 13 4.033 10.397 5.234 1.00 0.00 O ATOM 200 CB GLN A 13 2.035 12.412 4.169 1.00 0.00 C ATOM 201 CG GLN A 13 1.556 13.596 3.306 1.00 0.00 C ATOM 202 CD GLN A 13 2.702 14.398 2.690 1.00 0.00 C ATOM 203 OE1 GLN A 13 3.751 14.581 3.302 1.00 0.00 O ATOM 204 NE2 GLN A 13 2.535 14.820 1.456 1.00 0.00 N ATOM 0 H GLN A 13 1.032 10.518 2.567 1.00 0.00 H new ATOM 0 HA GLN A 13 3.720 11.752 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.171 11.951 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.675 12.791 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.916 13.219 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.946 14.260 3.919 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.651 14.652 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.289 15.315 0.980 1.00 0.00 H new ATOM 213 N SER A 14 2.746 8.963 4.052 1.00 0.00 N ATOM 214 CA SER A 14 3.030 7.773 4.877 1.00 0.00 C ATOM 215 C SER A 14 4.252 6.980 4.346 1.00 0.00 C ATOM 216 O SER A 14 4.342 6.668 3.151 1.00 0.00 O ATOM 217 CB SER A 14 1.769 6.899 4.902 1.00 0.00 C ATOM 218 OG SER A 14 1.264 6.721 3.589 1.00 0.00 O ATOM 0 H SER A 14 2.123 8.774 3.267 1.00 0.00 H new ATOM 0 HA SER A 14 3.288 8.087 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.999 5.930 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.009 7.364 5.531 1.00 0.00 H new ATOM 0 HG SER A 14 0.638 7.445 3.378 1.00 0.00 H new ATOM 224 N ALA A 15 5.184 6.675 5.262 1.00 0.00 N ATOM 225 CA ALA A 15 6.427 5.911 4.972 1.00 0.00 C ATOM 226 C ALA A 15 6.288 4.411 5.296 1.00 0.00 C ATOM 227 O ALA A 15 7.199 3.638 5.012 1.00 0.00 O ATOM 228 CB ALA A 15 7.604 6.516 5.757 1.00 0.00 C ATOM 0 H ALA A 15 5.103 6.952 6.240 1.00 0.00 H new ATOM 0 HA ALA A 15 6.615 5.989 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.512 5.953 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.742 7.556 5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.392 6.468 6.825 1.00 0.00 H new ATOM 234 N SER A 16 5.159 4.022 5.898 1.00 0.00 N ATOM 235 CA SER A 16 4.853 2.618 6.264 1.00 0.00 C ATOM 236 C SER A 16 3.536 2.207 5.615 1.00 0.00 C ATOM 237 O SER A 16 2.657 3.043 5.441 1.00 0.00 O ATOM 238 CB SER A 16 4.762 2.474 7.799 1.00 0.00 C ATOM 239 OG SER A 16 4.418 1.144 8.199 1.00 0.00 O ATOM 0 H SER A 16 4.417 4.675 6.152 1.00 0.00 H new ATOM 0 HA SER A 16 5.651 1.967 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.718 2.750 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.018 3.171 8.184 1.00 0.00 H new ATOM 0 HG SER A 16 4.373 1.098 9.177 1.00 0.00 H new ATOM 245 N VAL A 17 3.419 0.921 5.248 1.00 0.00 N ATOM 246 CA VAL A 17 2.229 0.354 4.582 1.00 0.00 C ATOM 247 C VAL A 17 1.025 0.301 5.540 1.00 0.00 C ATOM 248 O VAL A 17 -0.109 0.498 5.106 1.00 0.00 O ATOM 249 CB VAL A 17 2.544 -1.063 3.963 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.272 -1.791 3.450 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.584 -0.920 2.825 1.00 0.00 C ATOM 0 H VAL A 17 4.156 0.234 5.406 1.00 0.00 H new ATOM 0 HA VAL A 17 1.959 1.016 3.759 1.00 0.00 H new ATOM 0 HB VAL A 17 2.955 -1.681 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.550 -2.760 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.577 -1.936 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.795 -1.189 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.797 -1.902 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.185 -0.268 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.503 -0.489 3.224 1.00 0.00 H new ATOM 261 N ALA A 18 1.282 0.047 6.843 1.00 0.00 N ATOM 262 CA ALA A 18 0.246 0.144 7.894 1.00 0.00 C ATOM 263 C ALA A 18 -0.347 1.549 7.902 1.00 0.00 C ATOM 264 O ALA A 18 -1.558 1.724 7.786 1.00 0.00 O ATOM 265 CB ALA A 18 0.827 -0.192 9.277 1.00 0.00 C ATOM 0 H ALA A 18 2.201 -0.227 7.192 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.538 -0.580 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.043 -0.113 10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.221 -1.208 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.630 0.506 9.514 1.00 0.00 H new ATOM 271 N ALA A 19 0.559 2.532 7.973 1.00 0.00 N ATOM 272 CA ALA A 19 0.222 3.953 7.989 1.00 0.00 C ATOM 273 C ALA A 19 -0.393 4.411 6.658 1.00 0.00 C ATOM 274 O ALA A 19 -1.182 5.347 6.644 1.00 0.00 O ATOM 275 CB ALA A 19 1.480 4.762 8.322 1.00 0.00 C ATOM 0 H ALA A 19 1.562 2.355 8.022 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.534 4.123 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.236 5.824 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.856 4.463 9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.244 4.575 7.567 1.00 0.00 H new ATOM 281 N LEU A 20 -0.010 3.746 5.549 1.00 0.00 N ATOM 282 CA LEU A 20 -0.492 4.063 4.197 1.00 0.00 C ATOM 283 C LEU A 20 -1.960 3.694 4.060 1.00 0.00 C ATOM 284 O LEU A 20 -2.780 4.529 3.679 1.00 0.00 O ATOM 285 CB LEU A 20 0.360 3.330 3.128 1.00 0.00 C ATOM 286 CG LEU A 20 -0.054 3.530 1.629 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.005 5.012 1.212 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.823 2.674 0.703 1.00 0.00 C ATOM 0 H LEU A 20 0.649 2.967 5.571 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.390 5.136 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.395 3.653 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.334 2.263 3.347 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.088 3.199 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.299 5.106 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.690 5.588 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.008 5.393 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.518 2.828 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.867 2.964 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.707 1.622 0.962 1.00 0.00 H new ATOM 300 N MET A 21 -2.281 2.437 4.402 1.00 0.00 N ATOM 301 CA MET A 21 -3.648 1.921 4.359 1.00 0.00 C ATOM 302 C MET A 21 -4.543 2.705 5.358 1.00 0.00 C ATOM 303 O MET A 21 -5.704 2.942 5.081 1.00 0.00 O ATOM 304 CB MET A 21 -3.660 0.393 4.655 1.00 0.00 C ATOM 305 CG MET A 21 -2.780 -0.452 3.702 1.00 0.00 C ATOM 306 SD MET A 21 -3.357 -0.463 1.985 1.00 0.00 S ATOM 307 CE MET A 21 -4.768 -1.569 2.065 1.00 0.00 C ATOM 0 H MET A 21 -1.594 1.752 4.716 1.00 0.00 H new ATOM 0 HA MET A 21 -4.056 2.065 3.358 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.323 0.231 5.679 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.687 0.032 4.596 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.760 -0.068 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.745 -1.478 4.070 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.544 -2.485 1.518 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.982 -1.812 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.637 -1.083 1.620 1.00 0.00 H new ATOM 317 N THR A 22 -3.976 3.129 6.511 1.00 0.00 N ATOM 318 CA THR A 22 -4.702 3.937 7.528 1.00 0.00 C ATOM 319 C THR A 22 -4.953 5.371 7.015 1.00 0.00 C ATOM 320 O THR A 22 -6.009 5.961 7.274 1.00 0.00 O ATOM 321 CB THR A 22 -3.913 3.981 8.879 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.569 2.651 9.264 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.719 4.627 10.021 1.00 0.00 C ATOM 0 H THR A 22 -3.010 2.924 6.765 1.00 0.00 H new ATOM 0 HA THR A 22 -5.664 3.457 7.705 1.00 0.00 H new ATOM 0 HB THR A 22 -3.026 4.591 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.851 2.318 8.686 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.121 4.629 10.932 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.974 5.652 9.752 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.633 4.058 10.189 1.00 0.00 H new ATOM 331 N GLU A 23 -3.974 5.900 6.259 1.00 0.00 N ATOM 332 CA GLU A 23 -4.032 7.243 5.654 1.00 0.00 C ATOM 333 C GLU A 23 -5.094 7.286 4.544 1.00 0.00 C ATOM 334 O GLU A 23 -5.795 8.282 4.377 1.00 0.00 O ATOM 335 CB GLU A 23 -2.629 7.620 5.104 1.00 0.00 C ATOM 336 CG GLU A 23 -2.484 9.065 4.585 1.00 0.00 C ATOM 337 CD GLU A 23 -1.019 9.442 4.286 1.00 0.00 C ATOM 338 OE1 GLU A 23 -0.322 9.917 5.205 1.00 0.00 O ATOM 339 OE2 GLU A 23 -0.552 9.235 3.146 1.00 0.00 O ATOM 0 H GLU A 23 -3.110 5.401 6.049 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.318 7.972 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.894 7.461 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.380 6.935 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.078 9.183 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.890 9.755 5.325 1.00 0.00 H new ATOM 346 N LEU A 24 -5.223 6.159 3.830 1.00 0.00 N ATOM 347 CA LEU A 24 -6.182 5.993 2.721 1.00 0.00 C ATOM 348 C LEU A 24 -7.522 5.376 3.199 1.00 0.00 C ATOM 349 O LEU A 24 -8.421 5.156 2.375 1.00 0.00 O ATOM 350 CB LEU A 24 -5.547 5.103 1.618 1.00 0.00 C ATOM 351 CG LEU A 24 -4.215 5.634 0.992 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.586 4.591 0.055 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.432 6.984 0.271 1.00 0.00 C ATOM 0 H LEU A 24 -4.660 5.327 4.005 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.406 6.981 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.359 4.115 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.276 4.975 0.818 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.513 5.809 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.662 4.989 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.368 3.682 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.281 4.361 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.488 7.326 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.163 6.857 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.798 7.723 0.984 1.00 0.00 H new ATOM 365 N ASP A 25 -7.619 5.067 4.526 1.00 0.00 N ATOM 366 CA ASP A 25 -8.857 4.534 5.174 1.00 0.00 C ATOM 367 C ASP A 25 -9.176 3.074 4.724 1.00 0.00 C ATOM 368 O ASP A 25 -10.240 2.539 4.991 1.00 0.00 O ATOM 369 CB ASP A 25 -10.050 5.523 4.925 1.00 0.00 C ATOM 370 CG ASP A 25 -11.389 5.141 5.581 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.465 5.127 6.817 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.365 4.831 4.860 1.00 0.00 O ATOM 0 H ASP A 25 -6.841 5.180 5.176 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.690 4.472 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.760 6.510 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.206 5.610 3.850 1.00 0.00 H new ATOM 377 N CYS A 26 -8.191 2.404 4.108 1.00 0.00 N ATOM 378 CA CYS A 26 -8.334 1.047 3.541 1.00 0.00 C ATOM 379 C CYS A 26 -7.929 -0.053 4.561 1.00 0.00 C ATOM 380 O CYS A 26 -7.329 -1.067 4.189 1.00 0.00 O ATOM 381 CB CYS A 26 -7.453 0.965 2.274 1.00 0.00 C ATOM 382 SG CYS A 26 -7.687 2.334 1.122 1.00 0.00 S ATOM 0 H CYS A 26 -7.256 2.793 3.986 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.380 0.869 3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.406 0.932 2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.665 0.029 1.757 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.065 3.392 1.776 1.00 0.00 H new ATOM 388 N THR A 27 -8.260 0.129 5.848 1.00 0.00 N ATOM 389 CA THR A 27 -7.857 -0.830 6.917 1.00 0.00 C ATOM 390 C THR A 27 -9.028 -1.666 7.470 1.00 0.00 C ATOM 391 O THR A 27 -8.799 -2.585 8.264 1.00 0.00 O ATOM 392 CB THR A 27 -7.174 -0.071 8.096 1.00 0.00 C ATOM 393 OG1 THR A 27 -7.982 1.053 8.488 1.00 0.00 O ATOM 394 CG2 THR A 27 -5.768 0.397 7.716 1.00 0.00 C ATOM 0 H THR A 27 -8.803 0.924 6.185 1.00 0.00 H new ATOM 0 HA THR A 27 -7.159 -1.523 6.447 1.00 0.00 H new ATOM 0 HB THR A 27 -7.082 -0.760 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.912 0.764 8.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.319 0.922 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.154 -0.466 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.827 1.069 6.860 1.00 0.00 H new ATOM 402 N ASP A 28 -10.269 -1.341 7.079 1.00 0.00 N ATOM 403 CA ASP A 28 -11.495 -1.994 7.630 1.00 0.00 C ATOM 404 C ASP A 28 -12.203 -2.820 6.548 1.00 0.00 C ATOM 405 O ASP A 28 -11.664 -2.989 5.452 1.00 0.00 O ATOM 406 CB ASP A 28 -12.443 -0.917 8.228 1.00 0.00 C ATOM 407 CG ASP A 28 -11.779 -0.041 9.297 1.00 0.00 C ATOM 408 OD1 ASP A 28 -11.017 0.877 8.929 1.00 0.00 O ATOM 409 OD2 ASP A 28 -11.972 -0.296 10.506 1.00 0.00 O ATOM 0 H ASP A 28 -10.465 -0.626 6.379 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.205 -2.678 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.809 -0.279 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.312 -1.411 8.663 1.00 0.00 H new ATOM 414 N GLY A 29 -13.400 -3.359 6.884 1.00 0.00 N ATOM 415 CA GLY A 29 -14.187 -4.174 5.953 1.00 0.00 C ATOM 416 C GLY A 29 -13.418 -5.392 5.451 1.00 0.00 C ATOM 417 O GLY A 29 -13.258 -6.368 6.186 1.00 0.00 O ATOM 0 H GLY A 29 -13.835 -3.238 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.101 -4.503 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.487 -3.562 5.103 1.00 0.00 H new ATOM 421 N HIS A 30 -12.929 -5.318 4.196 1.00 0.00 N ATOM 422 CA HIS A 30 -12.008 -6.318 3.630 1.00 0.00 C ATOM 423 C HIS A 30 -11.169 -5.672 2.507 1.00 0.00 C ATOM 424 O HIS A 30 -11.549 -5.671 1.329 1.00 0.00 O ATOM 425 CB HIS A 30 -12.772 -7.595 3.143 1.00 0.00 C ATOM 426 CG HIS A 30 -13.839 -7.349 2.096 1.00 0.00 C ATOM 427 ND1 HIS A 30 -13.770 -7.861 0.822 1.00 0.00 N ATOM 428 CD2 HIS A 30 -14.991 -6.639 2.144 1.00 0.00 C ATOM 429 CE1 HIS A 30 -14.822 -7.476 0.139 1.00 0.00 C ATOM 430 NE2 HIS A 30 -15.579 -6.736 0.916 1.00 0.00 N ATOM 0 H HIS A 30 -13.162 -4.564 3.550 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.327 -6.655 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.046 -8.301 2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.236 -8.072 4.006 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -13.018 -8.449 0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.374 -6.097 2.996 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.031 -7.726 -0.891 1.00 0.00 H new ATOM 439 N TYR A 31 -10.053 -5.041 2.896 1.00 0.00 N ATOM 440 CA TYR A 31 -9.050 -4.520 1.947 1.00 0.00 C ATOM 441 C TYR A 31 -7.711 -5.225 2.183 1.00 0.00 C ATOM 442 O TYR A 31 -7.450 -5.759 3.263 1.00 0.00 O ATOM 443 CB TYR A 31 -8.866 -2.989 2.094 1.00 0.00 C ATOM 444 CG TYR A 31 -10.135 -2.150 1.838 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.546 -1.839 0.543 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.909 -1.661 2.891 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.688 -1.081 0.314 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.043 -0.908 2.670 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.430 -0.618 1.381 1.00 0.00 C ATOM 450 OH TYR A 31 -13.570 0.127 1.164 1.00 0.00 O ATOM 0 H TYR A 31 -9.817 -4.876 3.874 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.405 -4.718 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.506 -2.777 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.089 -2.664 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.967 -2.193 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.612 -1.878 3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.994 -0.855 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.625 -0.547 3.505 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.971 0.370 2.025 1.00 0.00 H new ATOM 460 N ALA A 32 -6.866 -5.193 1.155 1.00 0.00 N ATOM 461 CA ALA A 32 -5.535 -5.800 1.143 1.00 0.00 C ATOM 462 C ALA A 32 -4.606 -4.915 0.312 1.00 0.00 C ATOM 463 O ALA A 32 -5.070 -4.094 -0.482 1.00 0.00 O ATOM 464 CB ALA A 32 -5.596 -7.227 0.559 1.00 0.00 C ATOM 0 H ALA A 32 -7.096 -4.728 0.277 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.154 -5.877 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.597 -7.663 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.259 -7.841 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.975 -7.186 -0.462 1.00 0.00 H new ATOM 470 N VAL A 33 -3.302 -5.079 0.504 1.00 0.00 N ATOM 471 CA VAL A 33 -2.274 -4.329 -0.240 1.00 0.00 C ATOM 472 C VAL A 33 -1.454 -5.298 -1.096 1.00 0.00 C ATOM 473 O VAL A 33 -1.100 -6.382 -0.640 1.00 0.00 O ATOM 474 CB VAL A 33 -1.333 -3.528 0.739 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.673 -4.461 1.770 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.263 -2.714 -0.027 1.00 0.00 C ATOM 0 H VAL A 33 -2.917 -5.737 1.182 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.771 -3.606 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.963 -2.820 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.031 -3.878 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.445 -4.956 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.075 -5.211 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.364 -2.177 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.355 -3.390 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.754 -2.000 -0.689 1.00 0.00 H new ATOM 486 N ALA A 34 -1.179 -4.913 -2.342 1.00 0.00 N ATOM 487 CA ALA A 34 -0.327 -5.679 -3.255 1.00 0.00 C ATOM 488 C ALA A 34 0.887 -4.822 -3.622 1.00 0.00 C ATOM 489 O ALA A 34 0.819 -3.945 -4.485 1.00 0.00 O ATOM 490 CB ALA A 34 -1.123 -6.125 -4.493 1.00 0.00 C ATOM 0 H ALA A 34 -1.544 -4.053 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 34 0.025 -6.590 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.473 -6.692 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.959 -6.751 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.502 -5.248 -5.017 1.00 0.00 H new ATOM 496 N LEU A 35 2.003 -5.100 -2.952 1.00 0.00 N ATOM 497 CA LEU A 35 3.261 -4.376 -3.132 1.00 0.00 C ATOM 498 C LEU A 35 4.031 -5.080 -4.251 1.00 0.00 C ATOM 499 O LEU A 35 4.494 -6.207 -4.049 1.00 0.00 O ATOM 500 CB LEU A 35 4.056 -4.402 -1.799 1.00 0.00 C ATOM 501 CG LEU A 35 5.403 -3.594 -1.767 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.156 -2.070 -1.726 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.303 -4.055 -0.600 1.00 0.00 C ATOM 0 H LEU A 35 2.061 -5.846 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 35 3.094 -3.333 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.410 -4.018 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.276 -5.441 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 35 5.933 -3.806 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.112 -1.547 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.597 -1.768 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.585 -1.818 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.228 -3.478 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.782 -3.899 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.536 -5.114 -0.716 1.00 0.00 H new ATOM 515 N ASN A 36 4.103 -4.430 -5.438 1.00 0.00 N ATOM 516 CA ASN A 36 4.670 -5.020 -6.678 1.00 0.00 C ATOM 517 C ASN A 36 3.841 -6.256 -7.107 1.00 0.00 C ATOM 518 O ASN A 36 4.409 -7.269 -7.526 1.00 0.00 O ATOM 519 CB ASN A 36 6.173 -5.394 -6.491 1.00 0.00 C ATOM 520 CG ASN A 36 7.081 -4.188 -6.293 1.00 0.00 C ATOM 521 OD1 ASN A 36 7.710 -3.720 -7.226 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.112 -3.640 -5.102 1.00 0.00 N ATOM 0 H ASN A 36 3.767 -3.475 -5.564 1.00 0.00 H new ATOM 0 HA ASN A 36 4.616 -4.272 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.270 -6.056 -5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.511 -5.953 -7.363 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.672 -2.803 -4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.576 -4.051 -4.337 1.00 0.00 H new ATOM 529 N TYR A 37 2.490 -6.154 -6.941 1.00 0.00 N ATOM 530 CA TYR A 37 1.497 -7.239 -7.222 1.00 0.00 C ATOM 531 C TYR A 37 1.542 -8.376 -6.160 1.00 0.00 C ATOM 532 O TYR A 37 0.705 -9.285 -6.197 1.00 0.00 O ATOM 533 CB TYR A 37 1.630 -7.850 -8.651 1.00 0.00 C ATOM 534 CG TYR A 37 1.511 -6.837 -9.792 1.00 0.00 C ATOM 535 CD1 TYR A 37 0.274 -6.311 -10.159 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.635 -6.433 -10.523 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.160 -5.426 -11.208 1.00 0.00 C ATOM 538 CE2 TYR A 37 2.525 -5.541 -11.564 1.00 0.00 C ATOM 539 CZ TYR A 37 1.280 -5.042 -11.907 1.00 0.00 C ATOM 540 OH TYR A 37 1.155 -4.154 -12.952 1.00 0.00 O ATOM 0 H TYR A 37 2.050 -5.299 -6.601 1.00 0.00 H new ATOM 0 HA TYR A 37 0.528 -6.743 -7.164 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.594 -8.353 -8.728 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.862 -8.613 -8.778 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.610 -6.602 -9.612 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.606 -6.829 -10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.808 -5.034 -11.481 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.404 -5.232 -12.110 1.00 0.00 H new ATOM 0 HH TYR A 37 1.178 -3.237 -12.607 1.00 0.00 H new ATOM 550 N ASP A 38 2.505 -8.320 -5.228 1.00 0.00 N ATOM 551 CA ASP A 38 2.662 -9.325 -4.161 1.00 0.00 C ATOM 552 C ASP A 38 1.880 -8.861 -2.930 1.00 0.00 C ATOM 553 O ASP A 38 2.246 -7.860 -2.298 1.00 0.00 O ATOM 554 CB ASP A 38 4.160 -9.515 -3.816 1.00 0.00 C ATOM 555 CG ASP A 38 4.412 -10.594 -2.743 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.361 -10.286 -1.535 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.637 -11.764 -3.102 1.00 0.00 O ATOM 0 H ASP A 38 3.200 -7.575 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 38 2.273 -10.285 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.703 -9.782 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.568 -8.566 -3.468 1.00 0.00 H new ATOM 562 N VAL A 39 0.793 -9.582 -2.612 1.00 0.00 N ATOM 563 CA VAL A 39 -0.086 -9.245 -1.489 1.00 0.00 C ATOM 564 C VAL A 39 0.634 -9.444 -0.146 1.00 0.00 C ATOM 565 O VAL A 39 1.118 -10.543 0.163 1.00 0.00 O ATOM 566 CB VAL A 39 -1.423 -10.069 -1.498 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.378 -9.633 -0.345 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.121 -9.951 -2.868 1.00 0.00 C ATOM 0 H VAL A 39 0.502 -10.413 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.344 -8.193 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.169 -11.115 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.292 -10.226 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.885 -9.790 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.626 -8.577 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.046 -10.528 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.349 -8.905 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.463 -10.337 -3.646 1.00 0.00 H new ATOM 578 N VAL A 40 0.685 -8.361 0.632 1.00 0.00 N ATOM 579 CA VAL A 40 1.254 -8.347 1.975 1.00 0.00 C ATOM 580 C VAL A 40 0.129 -8.665 2.974 1.00 0.00 C ATOM 581 O VAL A 40 -0.877 -7.929 3.004 1.00 0.00 O ATOM 582 CB VAL A 40 1.900 -6.950 2.322 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.534 -6.940 3.738 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.932 -6.530 1.246 1.00 0.00 C ATOM 0 H VAL A 40 0.324 -7.453 0.338 1.00 0.00 H new ATOM 0 HA VAL A 40 2.047 -9.092 2.032 1.00 0.00 H new ATOM 0 HB VAL A 40 1.095 -6.215 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.967 -5.959 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.767 -7.155 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.314 -7.699 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.361 -5.564 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.725 -7.276 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.438 -6.454 0.278 1.00 0.00 H new ATOM 594 N PRO A 41 0.247 -9.782 3.766 1.00 0.00 N ATOM 595 CA PRO A 41 -0.685 -10.072 4.879 1.00 0.00 C ATOM 596 C PRO A 41 -0.758 -8.891 5.866 1.00 0.00 C ATOM 597 O PRO A 41 0.255 -8.213 6.084 1.00 0.00 O ATOM 598 CB PRO A 41 -0.092 -11.342 5.557 1.00 0.00 C ATOM 599 CG PRO A 41 1.301 -11.477 5.000 1.00 0.00 C ATOM 600 CD PRO A 41 1.261 -10.859 3.621 1.00 0.00 C ATOM 0 HA PRO A 41 -1.707 -10.228 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.073 -11.236 6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.692 -12.224 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.026 -10.968 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.601 -12.524 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.233 -10.461 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.972 -11.585 2.861 1.00 0.00 H new ATOM 608 N ARG A 42 -1.956 -8.658 6.436 1.00 0.00 N ATOM 609 CA ARG A 42 -2.216 -7.506 7.319 1.00 0.00 C ATOM 610 C ARG A 42 -1.267 -7.462 8.536 1.00 0.00 C ATOM 611 O ARG A 42 -0.883 -6.381 8.997 1.00 0.00 O ATOM 612 CB ARG A 42 -3.724 -7.411 7.717 1.00 0.00 C ATOM 613 CG ARG A 42 -4.417 -8.692 8.255 1.00 0.00 C ATOM 614 CD ARG A 42 -3.956 -9.117 9.658 1.00 0.00 C ATOM 615 NE ARG A 42 -3.991 -8.019 10.631 1.00 0.00 N ATOM 616 CZ ARG A 42 -3.506 -8.081 11.882 1.00 0.00 C ATOM 617 NH1 ARG A 42 -2.935 -9.182 12.357 1.00 0.00 N ATOM 618 NH2 ARG A 42 -3.576 -7.023 12.642 1.00 0.00 N ATOM 0 H ARG A 42 -2.767 -9.261 6.298 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.990 -6.609 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.821 -6.635 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.280 -7.073 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.494 -8.528 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.231 -9.511 7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.591 -9.929 10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.941 -9.509 9.597 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.417 -7.141 10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.856 -10.010 11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.576 -9.199 13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.995 -6.165 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.212 -7.054 13.594 1.00 0.00 H new ATOM 632 N GLY A 43 -0.850 -8.655 9.001 1.00 0.00 N ATOM 633 CA GLY A 43 0.074 -8.789 10.121 1.00 0.00 C ATOM 634 C GLY A 43 1.502 -8.351 9.807 1.00 0.00 C ATOM 635 O GLY A 43 2.349 -8.379 10.694 1.00 0.00 O ATOM 0 H GLY A 43 -1.149 -9.546 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.299 -8.200 10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.087 -9.830 10.444 1.00 0.00 H new ATOM 639 N LYS A 44 1.770 -7.943 8.547 1.00 0.00 N ATOM 640 CA LYS A 44 3.104 -7.491 8.086 1.00 0.00 C ATOM 641 C LYS A 44 3.085 -6.030 7.585 1.00 0.00 C ATOM 642 O LYS A 44 4.143 -5.496 7.249 1.00 0.00 O ATOM 643 CB LYS A 44 3.646 -8.429 6.989 1.00 0.00 C ATOM 644 CG LYS A 44 3.807 -9.893 7.447 1.00 0.00 C ATOM 645 CD LYS A 44 4.732 -10.699 6.526 1.00 0.00 C ATOM 646 CE LYS A 44 6.209 -10.279 6.635 1.00 0.00 C ATOM 647 NZ LYS A 44 6.736 -10.487 8.008 1.00 0.00 N ATOM 0 H LYS A 44 1.061 -7.917 7.814 1.00 0.00 H new ATOM 0 HA LYS A 44 3.771 -7.530 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.973 -8.398 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.612 -8.056 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.205 -9.911 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.827 -10.370 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.643 -11.758 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.402 -10.579 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.805 -10.853 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.311 -9.229 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.768 -10.357 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.301 -9.799 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.509 -11.451 8.325 1.00 0.00 H new ATOM 661 N TRP A 45 1.890 -5.393 7.555 1.00 0.00 N ATOM 662 CA TRP A 45 1.722 -3.990 7.069 1.00 0.00 C ATOM 663 C TRP A 45 2.650 -2.995 7.815 1.00 0.00 C ATOM 664 O TRP A 45 3.232 -2.096 7.197 1.00 0.00 O ATOM 665 CB TRP A 45 0.234 -3.531 7.183 1.00 0.00 C ATOM 666 CG TRP A 45 -0.723 -4.190 6.210 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.434 -5.158 5.292 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.124 -3.898 6.047 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.563 -5.512 4.606 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.609 -4.738 5.030 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.013 -3.009 6.657 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.940 -4.738 4.625 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.338 -2.996 6.251 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.788 -3.854 5.235 1.00 0.00 C ATOM 0 H TRP A 45 1.019 -5.827 7.862 1.00 0.00 H new ATOM 0 HA TRP A 45 2.012 -3.986 6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.113 -3.727 8.198 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.191 -2.452 7.035 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.546 -5.583 5.131 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.617 -6.238 3.892 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.672 -2.341 7.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.291 -5.411 3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.033 -2.317 6.722 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.823 -3.816 4.929 1.00 0.00 H new ATOM 685 N ASP A 46 2.776 -3.176 9.144 1.00 0.00 N ATOM 686 CA ASP A 46 3.620 -2.312 10.010 1.00 0.00 C ATOM 687 C ASP A 46 5.122 -2.600 9.777 1.00 0.00 C ATOM 688 O ASP A 46 5.949 -1.685 9.817 1.00 0.00 O ATOM 689 CB ASP A 46 3.230 -2.496 11.502 1.00 0.00 C ATOM 690 CG ASP A 46 4.012 -1.582 12.462 1.00 0.00 C ATOM 691 OD1 ASP A 46 3.765 -0.360 12.461 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.882 -2.074 13.215 1.00 0.00 O ATOM 0 H ASP A 46 2.299 -3.921 9.652 1.00 0.00 H new ATOM 0 HA ASP A 46 3.441 -1.270 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.164 -2.301 11.617 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.397 -3.535 11.787 1.00 0.00 H new ATOM 697 N GLU A 47 5.444 -3.882 9.514 1.00 0.00 N ATOM 698 CA GLU A 47 6.820 -4.338 9.202 1.00 0.00 C ATOM 699 C GLU A 47 7.284 -3.830 7.823 1.00 0.00 C ATOM 700 O GLU A 47 8.489 -3.656 7.594 1.00 0.00 O ATOM 701 CB GLU A 47 6.900 -5.887 9.228 1.00 0.00 C ATOM 702 CG GLU A 47 6.565 -6.519 10.588 1.00 0.00 C ATOM 703 CD GLU A 47 6.569 -8.052 10.532 1.00 0.00 C ATOM 704 OE1 GLU A 47 5.563 -8.638 10.102 1.00 0.00 O ATOM 705 OE2 GLU A 47 7.587 -8.672 10.873 1.00 0.00 O ATOM 0 H GLU A 47 4.757 -4.636 9.511 1.00 0.00 H new ATOM 0 HA GLU A 47 7.478 -3.924 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.217 -6.286 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.906 -6.191 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.288 -6.183 11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.585 -6.172 10.917 1.00 0.00 H new ATOM 712 N THR A 48 6.323 -3.582 6.920 1.00 0.00 N ATOM 713 CA THR A 48 6.608 -3.227 5.526 1.00 0.00 C ATOM 714 C THR A 48 6.555 -1.692 5.369 1.00 0.00 C ATOM 715 O THR A 48 5.514 -1.097 5.653 1.00 0.00 O ATOM 716 CB THR A 48 5.581 -3.902 4.558 1.00 0.00 C ATOM 717 OG1 THR A 48 5.496 -5.307 4.849 1.00 0.00 O ATOM 718 CG2 THR A 48 5.968 -3.713 3.077 1.00 0.00 C ATOM 0 H THR A 48 5.327 -3.623 7.138 1.00 0.00 H new ATOM 0 HA THR A 48 7.604 -3.588 5.267 1.00 0.00 H new ATOM 0 HB THR A 48 4.616 -3.420 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.929 -5.444 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.226 -4.198 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.005 -2.649 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.947 -4.158 2.897 1.00 0.00 H new ATOM 726 N PRO A 49 7.686 -1.014 4.989 1.00 0.00 N ATOM 727 CA PRO A 49 7.659 0.411 4.586 1.00 0.00 C ATOM 728 C PRO A 49 7.218 0.583 3.111 1.00 0.00 C ATOM 729 O PRO A 49 7.232 -0.377 2.330 1.00 0.00 O ATOM 730 CB PRO A 49 9.127 0.857 4.793 1.00 0.00 C ATOM 731 CG PRO A 49 9.937 -0.380 4.508 1.00 0.00 C ATOM 732 CD PRO A 49 9.079 -1.558 4.961 1.00 0.00 C ATOM 0 HA PRO A 49 6.944 1.001 5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.394 1.671 4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.294 1.216 5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.174 -0.455 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.885 -0.358 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.163 -2.399 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.385 -1.918 5.943 1.00 0.00 H new ATOM 740 N VAL A 50 6.802 1.805 2.763 1.00 0.00 N ATOM 741 CA VAL A 50 6.530 2.213 1.380 1.00 0.00 C ATOM 742 C VAL A 50 7.836 2.787 0.783 1.00 0.00 C ATOM 743 O VAL A 50 8.645 3.374 1.515 1.00 0.00 O ATOM 744 CB VAL A 50 5.370 3.287 1.308 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.895 3.516 -0.145 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.181 2.884 2.207 1.00 0.00 C ATOM 0 H VAL A 50 6.642 2.549 3.443 1.00 0.00 H new ATOM 0 HA VAL A 50 6.197 1.348 0.807 1.00 0.00 H new ATOM 0 HB VAL A 50 5.779 4.227 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.098 4.260 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.730 3.871 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.521 2.579 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.399 3.641 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.786 1.923 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.517 2.804 3.241 1.00 0.00 H new ATOM 756 N THR A 51 8.052 2.599 -0.525 1.00 0.00 N ATOM 757 CA THR A 51 9.248 3.096 -1.240 1.00 0.00 C ATOM 758 C THR A 51 8.813 3.976 -2.422 1.00 0.00 C ATOM 759 O THR A 51 7.918 3.596 -3.166 1.00 0.00 O ATOM 760 CB THR A 51 10.148 1.903 -1.734 1.00 0.00 C ATOM 761 OG1 THR A 51 9.320 0.858 -2.279 1.00 0.00 O ATOM 762 CG2 THR A 51 11.022 1.324 -0.606 1.00 0.00 C ATOM 0 H THR A 51 7.401 2.095 -1.127 1.00 0.00 H new ATOM 0 HA THR A 51 9.845 3.694 -0.551 1.00 0.00 H new ATOM 0 HB THR A 51 10.814 2.298 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.886 0.119 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.624 0.504 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.678 2.103 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.383 0.955 0.196 1.00 0.00 H new ATOM 770 N ALA A 52 9.449 5.151 -2.581 1.00 0.00 N ATOM 771 CA ALA A 52 9.111 6.131 -3.636 1.00 0.00 C ATOM 772 C ALA A 52 9.255 5.528 -5.055 1.00 0.00 C ATOM 773 O ALA A 52 10.301 4.963 -5.383 1.00 0.00 O ATOM 774 CB ALA A 52 10.000 7.377 -3.487 1.00 0.00 C ATOM 0 H ALA A 52 10.216 5.451 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 52 8.065 6.412 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.749 8.098 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.834 7.827 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.047 7.090 -3.582 1.00 0.00 H new ATOM 780 N GLY A 53 8.187 5.653 -5.863 1.00 0.00 N ATOM 781 CA GLY A 53 8.149 5.126 -7.237 1.00 0.00 C ATOM 782 C GLY A 53 7.677 3.672 -7.324 1.00 0.00 C ATOM 783 O GLY A 53 7.731 3.066 -8.404 1.00 0.00 O ATOM 0 H GLY A 53 7.326 6.122 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.488 5.750 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.145 5.203 -7.674 1.00 0.00 H new ATOM 787 N ASP A 54 7.211 3.112 -6.192 1.00 0.00 N ATOM 788 CA ASP A 54 6.712 1.720 -6.116 1.00 0.00 C ATOM 789 C ASP A 54 5.238 1.677 -6.552 1.00 0.00 C ATOM 790 O ASP A 54 4.584 2.722 -6.653 1.00 0.00 O ATOM 791 CB ASP A 54 6.880 1.172 -4.672 1.00 0.00 C ATOM 792 CG ASP A 54 6.982 -0.352 -4.627 1.00 0.00 C ATOM 793 OD1 ASP A 54 5.939 -1.039 -4.692 1.00 0.00 O ATOM 794 OD2 ASP A 54 8.118 -0.867 -4.579 1.00 0.00 O ATOM 0 H ASP A 54 7.169 3.609 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 54 7.292 1.088 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.775 1.605 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.033 1.493 -4.065 1.00 0.00 H new ATOM 799 N GLU A 55 4.712 0.469 -6.791 1.00 0.00 N ATOM 800 CA GLU A 55 3.319 0.267 -7.194 1.00 0.00 C ATOM 801 C GLU A 55 2.562 -0.506 -6.098 1.00 0.00 C ATOM 802 O GLU A 55 2.715 -1.731 -5.951 1.00 0.00 O ATOM 803 CB GLU A 55 3.231 -0.450 -8.560 1.00 0.00 C ATOM 804 CG GLU A 55 1.820 -0.436 -9.173 1.00 0.00 C ATOM 805 CD GLU A 55 1.791 -1.010 -10.586 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.145 -0.289 -11.541 1.00 0.00 O ATOM 807 OE2 GLU A 55 1.415 -2.177 -10.752 1.00 0.00 O ATOM 0 H GLU A 55 5.244 -0.397 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 55 2.845 1.241 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.925 0.023 -9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.556 -1.484 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.146 -1.010 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.446 0.588 -9.192 1.00 0.00 H new ATOM 814 N ILE A 56 1.778 0.248 -5.306 1.00 0.00 N ATOM 815 CA ILE A 56 0.939 -0.283 -4.219 1.00 0.00 C ATOM 816 C ILE A 56 -0.513 -0.445 -4.738 1.00 0.00 C ATOM 817 O ILE A 56 -1.292 0.500 -4.768 1.00 0.00 O ATOM 818 CB ILE A 56 0.981 0.663 -2.934 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.400 0.656 -2.239 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.126 0.288 -1.915 1.00 0.00 C ATOM 821 CD1 ILE A 56 3.510 1.358 -2.999 1.00 0.00 C ATOM 0 H ILE A 56 1.709 1.261 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 56 1.328 -1.254 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 56 0.790 1.677 -3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.306 1.122 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.697 -0.379 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.067 0.953 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.104 0.390 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.014 -0.743 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.438 1.292 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.644 0.881 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.246 2.406 -3.143 1.00 0.00 H new ATOM 833 N GLU A 57 -0.871 -1.657 -5.138 1.00 0.00 N ATOM 834 CA GLU A 57 -2.208 -1.972 -5.667 1.00 0.00 C ATOM 835 C GLU A 57 -3.121 -2.423 -4.516 1.00 0.00 C ATOM 836 O GLU A 57 -2.931 -3.502 -3.965 1.00 0.00 O ATOM 837 CB GLU A 57 -2.069 -3.062 -6.755 1.00 0.00 C ATOM 838 CG GLU A 57 -3.395 -3.581 -7.343 1.00 0.00 C ATOM 839 CD GLU A 57 -3.182 -4.665 -8.410 1.00 0.00 C ATOM 840 OE1 GLU A 57 -2.495 -5.660 -8.120 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.689 -4.526 -9.546 1.00 0.00 O ATOM 0 H GLU A 57 -0.244 -2.461 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.662 -1.091 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.461 -2.665 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.523 -3.906 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.012 -3.983 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.945 -2.748 -7.781 1.00 0.00 H new ATOM 848 N ILE A 58 -4.101 -1.582 -4.133 1.00 0.00 N ATOM 849 CA ILE A 58 -5.041 -1.928 -3.046 1.00 0.00 C ATOM 850 C ILE A 58 -6.095 -2.896 -3.590 1.00 0.00 C ATOM 851 O ILE A 58 -6.925 -2.510 -4.416 1.00 0.00 O ATOM 852 CB ILE A 58 -5.750 -0.668 -2.426 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.691 0.332 -1.873 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.774 -1.074 -1.317 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.273 1.624 -1.315 1.00 0.00 C ATOM 0 H ILE A 58 -4.263 -0.667 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.463 -2.391 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.312 -0.173 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.118 -0.162 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.991 0.579 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.245 -0.179 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.538 -1.722 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.255 -1.605 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.465 2.260 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.821 2.145 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.950 1.393 -0.492 1.00 0.00 H new ATOM 867 N LEU A 59 -6.031 -4.153 -3.155 1.00 0.00 N ATOM 868 CA LEU A 59 -6.988 -5.189 -3.552 1.00 0.00 C ATOM 869 C LEU A 59 -8.177 -5.233 -2.591 1.00 0.00 C ATOM 870 O LEU A 59 -8.025 -5.010 -1.398 1.00 0.00 O ATOM 871 CB LEU A 59 -6.276 -6.568 -3.631 1.00 0.00 C ATOM 872 CG LEU A 59 -5.313 -6.735 -4.848 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.543 -8.059 -4.784 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.096 -6.611 -6.171 1.00 0.00 C ATOM 0 H LEU A 59 -5.311 -4.485 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.377 -4.945 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.709 -6.722 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.033 -7.351 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.575 -5.934 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.883 -8.138 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.950 -8.091 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.248 -8.890 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.412 -6.729 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.862 -7.385 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.569 -5.630 -6.224 1.00 0.00 H new ATOM 886 N THR A 60 -9.362 -5.484 -3.144 1.00 0.00 N ATOM 887 CA THR A 60 -10.587 -5.744 -2.386 1.00 0.00 C ATOM 888 C THR A 60 -10.914 -7.248 -2.526 1.00 0.00 C ATOM 889 O THR A 60 -11.650 -7.645 -3.444 1.00 0.00 O ATOM 890 CB THR A 60 -11.757 -4.846 -2.905 1.00 0.00 C ATOM 891 OG1 THR A 60 -11.908 -5.023 -4.322 1.00 0.00 O ATOM 892 CG2 THR A 60 -11.517 -3.354 -2.607 1.00 0.00 C ATOM 0 H THR A 60 -9.502 -5.513 -4.154 1.00 0.00 H new ATOM 0 HA THR A 60 -10.449 -5.496 -1.333 1.00 0.00 H new ATOM 0 HB THR A 60 -12.663 -5.153 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.857 -5.977 -4.540 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.355 -2.768 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.428 -3.208 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.598 -3.029 -3.094 1.00 0.00 H new ATOM 900 N PRO A 61 -10.311 -8.123 -1.652 1.00 0.00 N ATOM 901 CA PRO A 61 -10.360 -9.601 -1.822 1.00 0.00 C ATOM 902 C PRO A 61 -11.805 -10.167 -1.803 1.00 0.00 C ATOM 903 O PRO A 61 -12.614 -9.811 -0.938 1.00 0.00 O ATOM 904 CB PRO A 61 -9.509 -10.133 -0.630 1.00 0.00 C ATOM 905 CG PRO A 61 -9.497 -9.013 0.374 1.00 0.00 C ATOM 906 CD PRO A 61 -9.536 -7.741 -0.435 1.00 0.00 C ATOM 0 HA PRO A 61 -9.976 -9.914 -2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.946 -11.037 -0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.498 -10.387 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.355 -9.078 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.603 -9.054 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.021 -6.933 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.534 -7.397 -0.690 1.00 0.00 H new ATOM 914 N ARG A 62 -12.111 -11.028 -2.788 1.00 0.00 N ATOM 915 CA ARG A 62 -13.412 -11.693 -2.934 1.00 0.00 C ATOM 916 C ARG A 62 -13.533 -12.801 -1.878 1.00 0.00 C ATOM 917 O ARG A 62 -12.975 -13.890 -2.043 1.00 0.00 O ATOM 918 CB ARG A 62 -13.541 -12.285 -4.362 1.00 0.00 C ATOM 919 CG ARG A 62 -14.922 -12.881 -4.709 1.00 0.00 C ATOM 920 CD ARG A 62 -14.930 -13.531 -6.104 1.00 0.00 C ATOM 921 NE ARG A 62 -14.499 -12.589 -7.158 1.00 0.00 N ATOM 922 CZ ARG A 62 -13.717 -12.897 -8.212 1.00 0.00 C ATOM 923 NH1 ARG A 62 -13.251 -14.132 -8.381 1.00 0.00 N ATOM 924 NH2 ARG A 62 -13.412 -11.969 -9.089 1.00 0.00 N ATOM 0 H ARG A 62 -11.446 -11.285 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.215 -10.971 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.310 -11.502 -5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.787 -13.063 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.196 -13.624 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.677 -12.096 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.271 -14.399 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.933 -13.892 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.820 -11.624 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.484 -14.862 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.660 -14.349 -9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.766 -11.020 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.821 -12.197 -9.888 1.00 0.00 H new ATOM 938 N GLN A 63 -14.217 -12.485 -0.772 1.00 0.00 N ATOM 939 CA GLN A 63 -14.384 -13.385 0.388 1.00 0.00 C ATOM 940 C GLN A 63 -15.874 -13.488 0.800 1.00 0.00 C ATOM 941 O GLN A 63 -16.184 -13.873 1.936 1.00 0.00 O ATOM 942 CB GLN A 63 -13.460 -12.900 1.561 1.00 0.00 C ATOM 943 CG GLN A 63 -13.475 -11.374 1.870 1.00 0.00 C ATOM 944 CD GLN A 63 -14.798 -10.848 2.436 1.00 0.00 C ATOM 945 OE1 GLN A 63 -15.004 -10.847 3.642 1.00 0.00 O ATOM 946 NE2 GLN A 63 -15.681 -10.358 1.580 1.00 0.00 N ATOM 0 H GLN A 63 -14.679 -11.584 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.075 -14.395 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.748 -13.434 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -12.435 -13.192 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.678 -11.153 2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.245 -10.829 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.483 -10.372 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.559 -9.967 1.921 1.00 0.00 H new ATOM 955 N GLY A 64 -16.780 -13.158 -0.148 1.00 0.00 N ATOM 956 CA GLY A 64 -18.224 -13.222 0.087 1.00 0.00 C ATOM 957 C GLY A 64 -18.692 -14.659 0.279 1.00 0.00 C ATOM 958 O GLY A 64 -19.148 -15.031 1.365 1.00 0.00 O ATOM 0 H GLY A 64 -16.526 -12.844 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.477 -12.634 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.752 -12.775 -0.756 1.00 0.00 H new ATOM 962 N GLY A 65 -18.497 -15.484 -0.770 1.00 0.00 N ATOM 963 CA GLY A 65 -18.801 -16.925 -0.716 1.00 0.00 C ATOM 964 C GLY A 65 -17.619 -17.747 -0.215 1.00 0.00 C ATOM 965 O GLY A 65 -17.314 -18.818 -0.754 1.00 0.00 O ATOM 0 H GLY A 65 -18.128 -15.173 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -19.658 -17.089 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -19.087 -17.271 -1.709 1.00 0.00 H new ATOM 969 N LEU A 66 -16.959 -17.234 0.839 1.00 0.00 N ATOM 970 CA LEU A 66 -15.852 -17.903 1.523 1.00 0.00 C ATOM 971 C LEU A 66 -16.378 -18.236 2.918 1.00 0.00 C ATOM 972 O LEU A 66 -16.750 -17.327 3.642 1.00 0.00 O ATOM 973 CB LEU A 66 -14.592 -16.974 1.586 1.00 0.00 C ATOM 974 CG LEU A 66 -13.176 -17.649 1.696 1.00 0.00 C ATOM 975 CD1 LEU A 66 -12.082 -16.574 1.855 1.00 0.00 C ATOM 976 CD2 LEU A 66 -13.070 -18.696 2.831 1.00 0.00 C ATOM 0 H LEU A 66 -17.189 -16.326 1.242 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.531 -18.803 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.594 -16.349 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.711 -16.309 2.441 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.027 -18.196 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.107 -17.055 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.094 -15.912 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.271 -15.994 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.065 -19.118 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.275 -18.217 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.795 -19.492 2.661 1.00 0.00 H new ATOM 988 N GLU A 67 -16.409 -19.523 3.267 1.00 0.00 N ATOM 989 CA GLU A 67 -16.957 -20.035 4.547 1.00 0.00 C ATOM 990 C GLU A 67 -16.375 -19.330 5.803 1.00 0.00 C ATOM 991 O GLU A 67 -17.091 -19.121 6.789 1.00 0.00 O ATOM 992 CB GLU A 67 -16.720 -21.567 4.630 1.00 0.00 C ATOM 993 CG GLU A 67 -15.237 -22.001 4.546 1.00 0.00 C ATOM 994 CD GLU A 67 -15.048 -23.525 4.643 1.00 0.00 C ATOM 995 OE1 GLU A 67 -15.177 -24.216 3.617 1.00 0.00 O ATOM 996 OE2 GLU A 67 -14.788 -24.044 5.746 1.00 0.00 O ATOM 0 H GLU A 67 -16.049 -20.262 2.663 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.024 -19.811 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.139 -21.935 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.271 -22.050 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.814 -21.647 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.678 -21.520 5.348 1.00 0.00 H new ATOM 1003 N HIS A 68 -15.091 -18.919 5.731 1.00 0.00 N ATOM 1004 CA HIS A 68 -14.360 -18.321 6.864 1.00 0.00 C ATOM 1005 C HIS A 68 -14.871 -16.888 7.176 1.00 0.00 C ATOM 1006 O HIS A 68 -14.601 -16.363 8.263 1.00 0.00 O ATOM 1007 CB HIS A 68 -12.823 -18.332 6.578 1.00 0.00 C ATOM 1008 CG HIS A 68 -11.960 -18.110 7.801 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -11.398 -19.145 8.511 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -11.586 -16.980 8.450 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -10.726 -18.666 9.531 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -10.828 -17.355 9.519 1.00 0.00 N ATOM 0 H HIS A 68 -14.532 -18.994 4.881 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.548 -18.925 7.752 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.556 -19.288 6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -12.597 -17.560 5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -11.842 -15.968 8.171 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.181 -19.250 10.258 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.408 -16.722 10.199 1.00 0.00 H new ATOM 1021 N HIS A 69 -15.651 -16.285 6.226 1.00 0.00 N ATOM 1022 CA HIS A 69 -16.210 -14.898 6.347 1.00 0.00 C ATOM 1023 C HIS A 69 -16.910 -14.671 7.710 1.00 0.00 C ATOM 1024 O HIS A 69 -16.935 -13.552 8.235 1.00 0.00 O ATOM 1025 CB HIS A 69 -17.215 -14.588 5.191 1.00 0.00 C ATOM 1026 CG HIS A 69 -18.599 -15.188 5.361 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -19.726 -14.424 5.550 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -19.020 -16.475 5.408 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -20.768 -15.214 5.708 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -20.365 -16.464 5.626 1.00 0.00 N ATOM 0 H HIS A 69 -15.910 -16.747 5.354 1.00 0.00 H new ATOM 0 HA HIS A 69 -15.362 -14.217 6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -17.314 -13.507 5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -16.791 -14.952 4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -18.401 -17.352 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -21.784 -14.890 5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -20.960 -17.288 5.711 1.00 0.00 H new ATOM 1039 N HIS A 70 -17.471 -15.765 8.249 1.00 0.00 N ATOM 1040 CA HIS A 70 -18.061 -15.828 9.575 1.00 0.00 C ATOM 1041 C HIS A 70 -18.125 -17.310 9.959 1.00 0.00 C ATOM 1042 O HIS A 70 -18.774 -18.097 9.261 1.00 0.00 O ATOM 1043 CB HIS A 70 -19.471 -15.187 9.584 1.00 0.00 C ATOM 1044 CG HIS A 70 -20.097 -15.086 10.953 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -20.038 -13.942 11.720 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -20.812 -15.979 11.676 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -20.687 -14.139 12.849 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -21.160 -15.368 12.843 1.00 0.00 N ATOM 0 H HIS A 70 -17.523 -16.653 7.750 1.00 0.00 H new ATOM 0 HA HIS A 70 -17.463 -15.269 10.294 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -19.406 -14.188 9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -20.127 -15.771 8.939 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -21.061 -16.988 11.383 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -20.810 -13.417 13.643 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -21.702 -15.795 13.594 1.00 0.00 H new ATOM 1057 N HIS A 71 -17.426 -17.678 11.028 1.00 0.00 N ATOM 1058 CA HIS A 71 -17.424 -19.048 11.565 1.00 0.00 C ATOM 1059 C HIS A 71 -17.579 -18.970 13.089 1.00 0.00 C ATOM 1060 O HIS A 71 -16.734 -18.357 13.762 1.00 0.00 O ATOM 1061 CB HIS A 71 -16.119 -19.795 11.176 1.00 0.00 C ATOM 1062 CG HIS A 71 -16.017 -21.198 11.739 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -15.176 -21.539 12.778 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -16.664 -22.342 11.401 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -15.312 -22.820 13.046 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -16.208 -23.329 12.232 1.00 0.00 N ATOM 0 H HIS A 71 -16.838 -17.033 11.556 1.00 0.00 H new ATOM 0 HA HIS A 71 -18.254 -19.612 11.139 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -16.052 -19.846 10.089 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -15.264 -19.214 11.521 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -17.402 -22.453 10.621 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.775 -23.363 13.810 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -16.514 -24.302 12.221 1.00 0.00 H new ATOM 1075 N HIS A 72 -18.676 -19.554 13.621 1.00 0.00 N ATOM 1076 CA HIS A 72 -18.921 -19.633 15.075 1.00 0.00 C ATOM 1077 C HIS A 72 -17.770 -20.405 15.755 1.00 0.00 C ATOM 1078 O HIS A 72 -17.385 -21.465 15.258 1.00 0.00 O ATOM 1079 CB HIS A 72 -20.297 -20.298 15.375 1.00 0.00 C ATOM 1080 CG HIS A 72 -20.513 -21.651 14.730 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -21.242 -21.824 13.575 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -20.097 -22.891 15.087 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -21.263 -23.098 13.257 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -20.577 -23.762 14.158 1.00 0.00 N ATOM 0 H HIS A 72 -19.411 -19.981 13.057 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.953 -18.622 15.482 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -20.402 -20.407 16.454 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -21.088 -19.625 15.044 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.496 -23.141 15.949 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -21.760 -23.527 12.400 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.427 -24.771 14.161 1.00 0.00 H new ATOM 1093 N HIS A 73 -17.228 -19.832 16.850 1.00 0.00 N ATOM 1094 CA HIS A 73 -16.053 -20.364 17.576 1.00 0.00 C ATOM 1095 C HIS A 73 -14.799 -20.392 16.632 1.00 0.00 C ATOM 1096 O HIS A 73 -14.579 -21.394 15.906 1.00 0.00 O ATOM 1097 CB HIS A 73 -16.359 -21.757 18.216 1.00 0.00 C ATOM 1098 CG HIS A 73 -15.180 -22.385 18.924 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -14.263 -23.180 18.270 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -14.766 -22.324 20.205 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -13.344 -23.579 19.119 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -13.629 -23.075 20.305 1.00 0.00 N ATOM 1103 OXT HIS A 73 -14.064 -19.393 16.598 1.00 0.00 O ATOM 0 H HIS A 73 -17.598 -18.975 17.261 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.821 -19.696 18.406 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -17.178 -21.646 18.926 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -16.703 -22.435 17.435 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.245 -21.781 21.006 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -12.500 -24.211 18.887 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -13.088 -23.222 21.157 1.00 0.00 H new TER 1112 HIS A 73