USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 44 MET CE :methyl -150:sc= 0 (180deg=-0.0839) USER MOD Set 1.2: A 99 HIS : no HE2:sc= -0.495! C(o=-0.49!,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.00359) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 170:sc= 0 USER MOD Single : A 7 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.23 USER MOD Single : A 43 THR OG1 : rot -39:sc= 0.146 USER MOD Single : A 46 TYR OH : rot 130:sc= -2.36! USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0.17 (180deg=0.119) USER MOD Single : A 52 ASN : amide:sc=-0.00818 K(o=-0.0082,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.878) USER MOD Single : A 54 MET CE :methyl -111:sc= -2.42 (180deg=-2.84) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.146 K(o=0.15,f=-1.4) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.535 F(o=-1.9!,f=0.53) USER MOD Single : A 71 GLN : amide:sc= -1.32 K(o=-1.3,f=-8.2!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 83 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0.912 (180deg=0.825) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0282 K(o=-0.028,f=-3.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.397 K(o=-0.4,f=-0.96) USER MOD Single : A 96 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.09) USER MOD Single : A 109 GLN : amide:sc= -0.0599 K(o=-0.06,f=-1.8) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 112 ASN : amide:sc= 1.1 K(o=1.1,f=-0.21) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -49:sc= 1.22 USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.0708 (180deg=-0.382) USER MOD Single : A 122 LYS NZ :NH3+ 132:sc= 1.33 (180deg=0.895) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.586 6.740 -15.102 1.00 0.00 N ATOM 2 CA MET A 1 16.318 6.419 -14.406 1.00 0.00 C ATOM 3 C MET A 1 15.830 7.621 -13.605 1.00 0.00 C ATOM 4 O MET A 1 16.591 8.233 -12.855 1.00 0.00 O ATOM 5 CB MET A 1 16.490 5.200 -13.482 1.00 0.00 C ATOM 6 CG MET A 1 17.513 5.394 -12.370 1.00 0.00 C ATOM 7 SD MET A 1 17.599 3.986 -11.245 1.00 0.00 S ATOM 8 CE MET A 1 18.849 4.555 -10.091 1.00 0.00 C ATOM 0 H1 MET A 1 17.922 5.900 -15.615 1.00 0.00 H new ATOM 0 H2 MET A 1 17.426 7.516 -15.775 1.00 0.00 H new ATOM 0 H3 MET A 1 18.301 7.029 -14.405 1.00 0.00 H new ATOM 0 HA MET A 1 15.572 6.173 -15.162 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.526 4.960 -13.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.785 4.341 -14.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.495 5.561 -12.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.262 6.291 -11.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.016 3.792 -9.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.779 4.744 -10.626 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.512 5.475 -9.614 1.00 0.00 H new ATOM 20 N GLU A 2 14.564 7.967 -13.771 1.00 0.00 N ATOM 21 CA GLU A 2 13.981 9.084 -13.046 1.00 0.00 C ATOM 22 C GLU A 2 12.772 8.632 -12.245 1.00 0.00 C ATOM 23 O GLU A 2 11.675 8.470 -12.782 1.00 0.00 O ATOM 24 CB GLU A 2 13.590 10.212 -13.998 1.00 0.00 C ATOM 25 CG GLU A 2 14.763 10.808 -14.752 1.00 0.00 C ATOM 26 CD GLU A 2 14.372 12.020 -15.568 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.443 13.145 -15.036 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.990 11.854 -16.745 1.00 0.00 O ATOM 0 H GLU A 2 13.920 7.490 -14.402 1.00 0.00 H new ATOM 0 HA GLU A 2 14.735 9.463 -12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.863 9.834 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.097 11.000 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.542 11.087 -14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.189 10.052 -15.412 1.00 0.00 H new ATOM 35 N PHE A 3 12.986 8.424 -10.961 1.00 0.00 N ATOM 36 CA PHE A 3 11.924 8.000 -10.069 1.00 0.00 C ATOM 37 C PHE A 3 11.542 9.122 -9.119 1.00 0.00 C ATOM 38 O PHE A 3 12.381 9.637 -8.378 1.00 0.00 O ATOM 39 CB PHE A 3 12.354 6.764 -9.279 1.00 0.00 C ATOM 40 CG PHE A 3 11.311 6.271 -8.315 1.00 0.00 C ATOM 41 CD1 PHE A 3 10.247 5.506 -8.762 1.00 0.00 C ATOM 42 CD2 PHE A 3 11.394 6.574 -6.966 1.00 0.00 C ATOM 43 CE1 PHE A 3 9.283 5.052 -7.881 1.00 0.00 C ATOM 44 CE2 PHE A 3 10.434 6.123 -6.079 1.00 0.00 C ATOM 45 CZ PHE A 3 9.377 5.360 -6.538 1.00 0.00 C ATOM 0 H PHE A 3 13.893 8.543 -10.509 1.00 0.00 H new ATOM 0 HA PHE A 3 11.052 7.746 -10.672 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.598 5.964 -9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.266 6.995 -8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.169 5.261 -9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.218 7.170 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.457 4.457 -8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.510 6.366 -5.030 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.626 5.005 -5.848 1.00 0.00 H new ATOM 55 N THR A 4 10.285 9.506 -9.157 1.00 0.00 N ATOM 56 CA THR A 4 9.769 10.494 -8.231 1.00 0.00 C ATOM 57 C THR A 4 9.008 9.799 -7.119 1.00 0.00 C ATOM 58 O THR A 4 8.160 8.941 -7.372 1.00 0.00 O ATOM 59 CB THR A 4 8.839 11.504 -8.919 1.00 0.00 C ATOM 60 OG1 THR A 4 9.112 11.556 -10.329 1.00 0.00 O ATOM 61 CG2 THR A 4 9.044 12.878 -8.315 1.00 0.00 C ATOM 0 H THR A 4 9.598 9.149 -9.821 1.00 0.00 H new ATOM 0 HA THR A 4 10.622 11.042 -7.830 1.00 0.00 H new ATOM 0 HB THR A 4 7.807 11.187 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.511 12.202 -10.755 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.383 13.593 -8.805 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.817 12.845 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.080 13.186 -8.456 1.00 0.00 H new ATOM 69 N VAL A 5 9.327 10.157 -5.891 1.00 0.00 N ATOM 70 CA VAL A 5 8.676 9.555 -4.744 1.00 0.00 C ATOM 71 C VAL A 5 7.369 10.285 -4.457 1.00 0.00 C ATOM 72 O VAL A 5 7.285 11.513 -4.556 1.00 0.00 O ATOM 73 CB VAL A 5 9.575 9.534 -3.473 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.033 9.334 -3.849 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.406 10.776 -2.611 1.00 0.00 C ATOM 0 H VAL A 5 10.030 10.859 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 5 8.476 8.514 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 5 9.246 8.688 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.643 9.323 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.146 8.386 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.357 10.149 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.057 10.705 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.670 11.660 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.369 10.853 -2.284 1.00 0.00 H new ATOM 85 N SER A 6 6.346 9.513 -4.147 1.00 0.00 N ATOM 86 CA SER A 6 5.032 10.058 -3.861 1.00 0.00 C ATOM 87 C SER A 6 4.970 10.570 -2.425 1.00 0.00 C ATOM 88 O SER A 6 4.849 9.786 -1.487 1.00 0.00 O ATOM 89 CB SER A 6 3.967 8.983 -4.075 1.00 0.00 C ATOM 90 OG SER A 6 4.126 8.355 -5.334 1.00 0.00 O ATOM 0 H SER A 6 6.400 8.496 -4.086 1.00 0.00 H new ATOM 0 HA SER A 6 4.844 10.891 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.033 8.238 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.975 9.431 -4.010 1.00 0.00 H new ATOM 0 HG SER A 6 3.543 7.569 -5.384 1.00 0.00 H new ATOM 96 N THR A 7 5.076 11.878 -2.251 1.00 0.00 N ATOM 97 CA THR A 7 4.981 12.464 -0.925 1.00 0.00 C ATOM 98 C THR A 7 3.521 12.592 -0.502 1.00 0.00 C ATOM 99 O THR A 7 2.615 12.223 -1.254 1.00 0.00 O ATOM 100 CB THR A 7 5.656 13.851 -0.850 1.00 0.00 C ATOM 101 OG1 THR A 7 5.010 14.775 -1.738 1.00 0.00 O ATOM 102 CG2 THR A 7 7.134 13.757 -1.197 1.00 0.00 C ATOM 0 H THR A 7 5.227 12.548 -3.005 1.00 0.00 H new ATOM 0 HA THR A 7 5.507 11.794 -0.245 1.00 0.00 H new ATOM 0 HB THR A 7 5.559 14.212 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.157 14.495 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.586 14.747 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.631 13.088 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.246 13.368 -2.209 1.00 0.00 H new ATOM 110 N THR A 8 3.299 13.107 0.698 1.00 0.00 N ATOM 111 CA THR A 8 1.954 13.334 1.204 1.00 0.00 C ATOM 112 C THR A 8 1.124 14.156 0.216 1.00 0.00 C ATOM 113 O THR A 8 -0.029 13.825 -0.071 1.00 0.00 O ATOM 114 CB THR A 8 2.001 14.060 2.560 1.00 0.00 C ATOM 115 OG1 THR A 8 2.748 13.279 3.506 1.00 0.00 O ATOM 116 CG2 THR A 8 0.599 14.308 3.084 1.00 0.00 C ATOM 0 H THR A 8 4.040 13.378 1.344 1.00 0.00 H new ATOM 0 HA THR A 8 1.483 12.360 1.332 1.00 0.00 H new ATOM 0 HB THR A 8 2.492 15.023 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.776 13.747 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.655 14.822 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.049 14.925 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.085 13.356 3.212 1.00 0.00 H new ATOM 124 N GLU A 9 1.733 15.206 -0.321 1.00 0.00 N ATOM 125 CA GLU A 9 1.060 16.088 -1.262 1.00 0.00 C ATOM 126 C GLU A 9 0.616 15.326 -2.509 1.00 0.00 C ATOM 127 O GLU A 9 -0.501 15.507 -2.995 1.00 0.00 O ATOM 128 CB GLU A 9 1.978 17.240 -1.652 1.00 0.00 C ATOM 129 CG GLU A 9 2.443 18.068 -0.469 1.00 0.00 C ATOM 130 CD GLU A 9 3.306 19.241 -0.884 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.761 20.346 -1.073 1.00 0.00 O ATOM 132 OE2 GLU A 9 4.535 19.062 -1.021 1.00 0.00 O ATOM 0 H GLU A 9 2.698 15.467 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 9 0.172 16.489 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.849 16.841 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.456 17.888 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.574 18.436 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.004 17.433 0.216 1.00 0.00 H new ATOM 139 N ASP A 10 1.492 14.460 -3.011 1.00 0.00 N ATOM 140 CA ASP A 10 1.193 13.662 -4.197 1.00 0.00 C ATOM 141 C ASP A 10 0.085 12.666 -3.893 1.00 0.00 C ATOM 142 O ASP A 10 -0.793 12.422 -4.721 1.00 0.00 O ATOM 143 CB ASP A 10 2.428 12.897 -4.687 1.00 0.00 C ATOM 144 CG ASP A 10 3.623 13.787 -4.952 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.515 13.863 -4.081 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.687 14.406 -6.035 1.00 0.00 O ATOM 0 H ASP A 10 2.417 14.293 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 10 0.874 14.350 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.700 12.148 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.174 12.361 -5.601 1.00 0.00 H new ATOM 151 N LEU A 11 0.125 12.105 -2.689 1.00 0.00 N ATOM 152 CA LEU A 11 -0.851 11.109 -2.272 1.00 0.00 C ATOM 153 C LEU A 11 -2.250 11.717 -2.202 1.00 0.00 C ATOM 154 O LEU A 11 -3.247 11.039 -2.449 1.00 0.00 O ATOM 155 CB LEU A 11 -0.447 10.496 -0.926 1.00 0.00 C ATOM 156 CG LEU A 11 -1.394 9.422 -0.396 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.400 8.221 -1.326 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.998 9.006 1.012 1.00 0.00 C ATOM 0 H LEU A 11 0.827 12.326 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.872 10.312 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.549 10.064 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.377 11.294 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.401 9.837 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.079 7.463 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.731 8.530 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.394 7.807 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.685 8.240 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.017 8.608 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.041 9.872 1.673 1.00 0.00 H new ATOM 170 N GLN A 12 -2.312 13.011 -1.898 1.00 0.00 N ATOM 171 CA GLN A 12 -3.582 13.730 -1.842 1.00 0.00 C ATOM 172 C GLN A 12 -4.233 13.781 -3.217 1.00 0.00 C ATOM 173 O GLN A 12 -5.458 13.807 -3.337 1.00 0.00 O ATOM 174 CB GLN A 12 -3.383 15.152 -1.318 1.00 0.00 C ATOM 175 CG GLN A 12 -3.044 15.235 0.161 1.00 0.00 C ATOM 176 CD GLN A 12 -2.781 16.658 0.610 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.295 17.486 -0.160 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.112 16.954 1.854 1.00 0.00 N ATOM 0 H GLN A 12 -1.495 13.584 -1.686 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.236 13.191 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.585 15.628 -1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.292 15.725 -1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.865 14.818 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.165 14.623 0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.512 16.237 2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.967 17.899 2.209 1.00 0.00 H new ATOM 187 N ARG A 13 -3.402 13.789 -4.247 1.00 0.00 N ATOM 188 CA ARG A 13 -3.885 13.814 -5.621 1.00 0.00 C ATOM 189 C ARG A 13 -4.539 12.488 -5.967 1.00 0.00 C ATOM 190 O ARG A 13 -5.720 12.432 -6.314 1.00 0.00 O ATOM 191 CB ARG A 13 -2.738 14.069 -6.598 1.00 0.00 C ATOM 192 CG ARG A 13 -2.100 15.442 -6.491 1.00 0.00 C ATOM 193 CD ARG A 13 -0.971 15.579 -7.494 1.00 0.00 C ATOM 194 NE ARG A 13 -0.374 16.914 -7.503 1.00 0.00 N ATOM 195 CZ ARG A 13 0.529 17.311 -8.400 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.941 16.473 -9.348 1.00 0.00 N ATOM 197 NH2 ARG A 13 1.029 18.541 -8.344 1.00 0.00 N ATOM 0 H ARG A 13 -2.386 13.779 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.612 14.622 -5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.969 13.314 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.109 13.935 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.849 16.213 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.719 15.595 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.199 14.843 -7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.348 15.349 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.664 17.577 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.566 15.525 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.632 16.778 -10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.722 19.184 -7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.720 18.843 -9.031 1.00 0.00 H new ATOM 211 N TYR A 14 -3.759 11.419 -5.840 1.00 0.00 N ATOM 212 CA TYR A 14 -4.205 10.080 -6.210 1.00 0.00 C ATOM 213 C TYR A 14 -5.440 9.671 -5.417 1.00 0.00 C ATOM 214 O TYR A 14 -6.290 8.932 -5.918 1.00 0.00 O ATOM 215 CB TYR A 14 -3.082 9.063 -5.987 1.00 0.00 C ATOM 216 CG TYR A 14 -1.765 9.470 -6.619 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.717 9.932 -7.929 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.572 9.399 -5.908 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.522 10.313 -8.510 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.627 9.777 -6.483 1.00 0.00 C ATOM 221 CZ TYR A 14 0.646 10.234 -7.784 1.00 0.00 C ATOM 222 OH TYR A 14 1.836 10.616 -8.359 1.00 0.00 O ATOM 0 H TYR A 14 -2.805 11.456 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.468 10.097 -7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.935 8.925 -4.916 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.389 8.099 -6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.630 9.994 -8.503 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.582 9.042 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.504 10.671 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.544 9.715 -5.916 1.00 0.00 H new ATOM 0 HH TYR A 14 2.564 10.500 -7.713 1.00 0.00 H new ATOM 232 N ARG A 15 -5.538 10.167 -4.188 1.00 0.00 N ATOM 233 CA ARG A 15 -6.676 9.876 -3.331 1.00 0.00 C ATOM 234 C ARG A 15 -7.990 10.225 -4.017 1.00 0.00 C ATOM 235 O ARG A 15 -8.878 9.387 -4.130 1.00 0.00 O ATOM 236 CB ARG A 15 -6.561 10.638 -2.008 1.00 0.00 C ATOM 237 CG ARG A 15 -6.002 9.809 -0.869 1.00 0.00 C ATOM 238 CD ARG A 15 -6.167 10.506 0.476 1.00 0.00 C ATOM 239 NE ARG A 15 -5.711 9.663 1.573 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.529 10.078 2.821 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.762 11.344 3.152 1.00 0.00 N ATOM 242 NH2 ARG A 15 -5.120 9.214 3.738 1.00 0.00 N ATOM 0 H ARG A 15 -4.838 10.775 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.670 8.805 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.924 11.510 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.547 11.008 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.506 8.843 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.945 9.612 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.604 11.440 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.215 10.766 0.626 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.517 8.683 1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.083 12.005 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.620 11.654 4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.948 8.242 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.977 9.521 4.700 1.00 0.00 H new ATOM 256 N THR A 16 -8.093 11.455 -4.499 1.00 0.00 N ATOM 257 CA THR A 16 -9.325 11.944 -5.099 1.00 0.00 C ATOM 258 C THR A 16 -9.647 11.207 -6.393 1.00 0.00 C ATOM 259 O THR A 16 -10.800 10.847 -6.637 1.00 0.00 O ATOM 260 CB THR A 16 -9.226 13.443 -5.394 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.455 14.087 -4.371 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.609 14.068 -5.456 1.00 0.00 C ATOM 0 H THR A 16 -7.333 12.136 -4.486 1.00 0.00 H new ATOM 0 HA THR A 16 -10.124 11.762 -4.380 1.00 0.00 H new ATOM 0 HB THR A 16 -8.738 13.575 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.392 15.046 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.518 15.134 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.189 13.590 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.114 13.929 -4.500 1.00 0.00 H new ATOM 270 N GLU A 17 -8.627 10.974 -7.213 1.00 0.00 N ATOM 271 CA GLU A 17 -8.823 10.301 -8.495 1.00 0.00 C ATOM 272 C GLU A 17 -9.392 8.900 -8.281 1.00 0.00 C ATOM 273 O GLU A 17 -10.184 8.414 -9.088 1.00 0.00 O ATOM 274 CB GLU A 17 -7.513 10.214 -9.290 1.00 0.00 C ATOM 275 CG GLU A 17 -6.608 11.420 -9.115 1.00 0.00 C ATOM 276 CD GLU A 17 -5.449 11.427 -10.090 1.00 0.00 C ATOM 277 OE1 GLU A 17 -4.803 10.375 -10.269 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.183 12.492 -10.688 1.00 0.00 O ATOM 0 H GLU A 17 -7.662 11.239 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.533 10.894 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.972 9.318 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.748 10.099 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.193 12.330 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.221 11.434 -8.096 1.00 0.00 H new ATOM 285 N CYS A 18 -9.001 8.266 -7.184 1.00 0.00 N ATOM 286 CA CYS A 18 -9.504 6.941 -6.850 1.00 0.00 C ATOM 287 C CYS A 18 -10.849 7.024 -6.134 1.00 0.00 C ATOM 288 O CYS A 18 -11.738 6.208 -6.376 1.00 0.00 O ATOM 289 CB CYS A 18 -8.491 6.182 -5.997 1.00 0.00 C ATOM 290 SG CYS A 18 -6.932 5.832 -6.870 1.00 0.00 S ATOM 0 H CYS A 18 -8.337 8.648 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.653 6.396 -7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.275 6.762 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.935 5.242 -5.669 1.00 0.00 H new ATOM 295 N VAL A 19 -11.008 8.031 -5.282 1.00 0.00 N ATOM 296 CA VAL A 19 -12.228 8.192 -4.506 1.00 0.00 C ATOM 297 C VAL A 19 -13.417 8.502 -5.408 1.00 0.00 C ATOM 298 O VAL A 19 -14.433 7.805 -5.373 1.00 0.00 O ATOM 299 CB VAL A 19 -12.072 9.290 -3.427 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.424 9.817 -2.971 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.291 8.748 -2.239 1.00 0.00 C ATOM 0 H VAL A 19 -10.304 8.749 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.416 7.245 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.522 10.121 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.278 10.587 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.955 10.243 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.010 9.000 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.187 9.529 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.823 7.899 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.303 8.428 -2.569 1.00 0.00 H new ATOM 311 N SER A 20 -13.271 9.529 -6.234 1.00 0.00 N ATOM 312 CA SER A 20 -14.332 9.946 -7.136 1.00 0.00 C ATOM 313 C SER A 20 -14.641 8.871 -8.186 1.00 0.00 C ATOM 314 O SER A 20 -15.743 8.830 -8.735 1.00 0.00 O ATOM 315 CB SER A 20 -13.922 11.249 -7.817 1.00 0.00 C ATOM 316 OG SER A 20 -13.689 12.274 -6.864 1.00 0.00 O ATOM 0 H SER A 20 -12.422 10.091 -6.297 1.00 0.00 H new ATOM 0 HA SER A 20 -15.241 10.099 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.020 11.086 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.704 11.563 -8.509 1.00 0.00 H new ATOM 0 HG SER A 20 -13.426 13.097 -7.326 1.00 0.00 H new ATOM 322 N SER A 21 -13.675 7.997 -8.453 1.00 0.00 N ATOM 323 CA SER A 21 -13.836 6.971 -9.474 1.00 0.00 C ATOM 324 C SER A 21 -14.511 5.727 -8.898 1.00 0.00 C ATOM 325 O SER A 21 -15.461 5.203 -9.477 1.00 0.00 O ATOM 326 CB SER A 21 -12.469 6.603 -10.061 1.00 0.00 C ATOM 327 OG SER A 21 -12.587 5.707 -11.154 1.00 0.00 O ATOM 0 H SER A 21 -12.774 7.980 -7.976 1.00 0.00 H new ATOM 0 HA SER A 21 -14.473 7.368 -10.264 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.958 7.509 -10.388 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.851 6.151 -9.286 1.00 0.00 H new ATOM 0 HG SER A 21 -11.695 5.497 -11.502 1.00 0.00 H new ATOM 333 N LEU A 22 -14.033 5.270 -7.745 1.00 0.00 N ATOM 334 CA LEU A 22 -14.515 4.025 -7.157 1.00 0.00 C ATOM 335 C LEU A 22 -15.727 4.246 -6.253 1.00 0.00 C ATOM 336 O LEU A 22 -16.122 3.347 -5.508 1.00 0.00 O ATOM 337 CB LEU A 22 -13.389 3.360 -6.367 1.00 0.00 C ATOM 338 CG LEU A 22 -12.204 2.902 -7.209 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.052 2.481 -6.315 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.614 1.756 -8.111 1.00 0.00 C ATOM 0 H LEU A 22 -13.313 5.743 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.832 3.375 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.031 4.060 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.795 2.498 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.875 3.736 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.213 2.157 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.744 3.325 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.371 1.659 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.759 1.438 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.963 0.921 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.416 2.083 -8.773 1.00 0.00 H new ATOM 352 N ASN A 23 -16.311 5.443 -6.330 1.00 0.00 N ATOM 353 CA ASN A 23 -17.474 5.811 -5.510 1.00 0.00 C ATOM 354 C ASN A 23 -17.193 5.619 -4.025 1.00 0.00 C ATOM 355 O ASN A 23 -18.069 5.196 -3.267 1.00 0.00 O ATOM 356 CB ASN A 23 -18.707 4.996 -5.903 1.00 0.00 C ATOM 357 CG ASN A 23 -19.213 5.325 -7.292 1.00 0.00 C ATOM 358 OD1 ASN A 23 -19.051 6.444 -7.778 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.832 4.352 -7.939 1.00 0.00 N ATOM 0 H ASN A 23 -15.996 6.183 -6.957 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.671 6.867 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.466 3.934 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.502 5.178 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.196 4.515 -8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.945 3.439 -7.499 1.00 0.00 H new ATOM 366 N ILE A 24 -15.969 5.919 -3.614 1.00 0.00 N ATOM 367 CA ILE A 24 -15.580 5.798 -2.222 1.00 0.00 C ATOM 368 C ILE A 24 -16.266 6.875 -1.394 1.00 0.00 C ATOM 369 O ILE A 24 -16.058 8.066 -1.621 1.00 0.00 O ATOM 370 CB ILE A 24 -14.055 5.926 -2.046 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.314 5.015 -3.033 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.662 5.595 -0.610 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.586 3.536 -2.838 1.00 0.00 C ATOM 0 H ILE A 24 -15.227 6.249 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.887 4.809 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.768 6.956 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.595 5.294 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.243 5.191 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.582 5.689 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.159 6.285 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.964 4.574 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.024 2.962 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.278 3.238 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.651 3.342 -2.963 1.00 0.00 H new ATOM 385 N PRO A 25 -17.107 6.468 -0.437 1.00 0.00 N ATOM 386 CA PRO A 25 -17.798 7.403 0.447 1.00 0.00 C ATOM 387 C PRO A 25 -16.815 8.208 1.284 1.00 0.00 C ATOM 388 O PRO A 25 -15.795 7.685 1.746 1.00 0.00 O ATOM 389 CB PRO A 25 -18.650 6.506 1.349 1.00 0.00 C ATOM 390 CG PRO A 25 -18.681 5.172 0.695 1.00 0.00 C ATOM 391 CD PRO A 25 -17.434 5.069 -0.138 1.00 0.00 C ATOM 0 HA PRO A 25 -18.386 8.131 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.221 6.440 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.657 6.909 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.715 4.377 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.571 5.066 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.628 4.575 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.605 4.493 -1.048 1.00 0.00 H new ATOM 399 N ALA A 26 -17.137 9.488 1.464 1.00 0.00 N ATOM 400 CA ALA A 26 -16.322 10.402 2.260 1.00 0.00 C ATOM 401 C ALA A 26 -16.085 9.840 3.654 1.00 0.00 C ATOM 402 O ALA A 26 -15.059 10.108 4.274 1.00 0.00 O ATOM 403 CB ALA A 26 -17.001 11.754 2.354 1.00 0.00 C ATOM 0 H ALA A 26 -17.969 9.919 1.062 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.356 10.519 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.386 12.429 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.129 12.167 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.976 11.639 2.827 1.00 0.00 H new ATOM 409 N ASP A 27 -17.057 9.065 4.125 1.00 0.00 N ATOM 410 CA ASP A 27 -16.970 8.354 5.401 1.00 0.00 C ATOM 411 C ASP A 27 -15.646 7.599 5.527 1.00 0.00 C ATOM 412 O ASP A 27 -14.944 7.719 6.535 1.00 0.00 O ATOM 413 CB ASP A 27 -18.146 7.380 5.511 1.00 0.00 C ATOM 414 CG ASP A 27 -18.125 6.548 6.778 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.624 5.405 6.739 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.640 7.023 7.811 1.00 0.00 O ATOM 0 H ASP A 27 -17.935 8.910 3.630 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.013 9.081 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.079 7.943 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.138 6.714 4.648 1.00 0.00 H new ATOM 421 N TYR A 28 -15.307 6.829 4.496 1.00 0.00 N ATOM 422 CA TYR A 28 -14.048 6.100 4.461 1.00 0.00 C ATOM 423 C TYR A 28 -12.854 7.045 4.366 1.00 0.00 C ATOM 424 O TYR A 28 -11.825 6.813 4.992 1.00 0.00 O ATOM 425 CB TYR A 28 -14.032 5.133 3.278 1.00 0.00 C ATOM 426 CG TYR A 28 -14.807 3.861 3.527 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.162 2.684 3.886 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.186 3.838 3.400 1.00 0.00 C ATOM 429 CE1 TYR A 28 -14.873 1.522 4.107 1.00 0.00 C ATOM 430 CE2 TYR A 28 -16.903 2.683 3.621 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.244 1.526 3.973 1.00 0.00 C ATOM 432 OH TYR A 28 -16.959 0.371 4.191 1.00 0.00 O ATOM 0 H TYR A 28 -15.892 6.695 3.671 1.00 0.00 H new ATOM 0 HA TYR A 28 -13.965 5.541 5.393 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.445 5.635 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -12.999 4.879 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.087 2.678 3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.708 4.742 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.357 0.614 4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -17.978 2.685 3.519 1.00 0.00 H new ATOM 0 HH TYR A 28 -17.914 0.547 4.056 1.00 0.00 H new ATOM 442 N VAL A 29 -13.005 8.110 3.584 1.00 0.00 N ATOM 443 CA VAL A 29 -11.932 9.075 3.368 1.00 0.00 C ATOM 444 C VAL A 29 -11.449 9.681 4.688 1.00 0.00 C ATOM 445 O VAL A 29 -10.244 9.829 4.909 1.00 0.00 O ATOM 446 CB VAL A 29 -12.382 10.195 2.415 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.259 11.191 2.183 1.00 0.00 C ATOM 448 CG2 VAL A 29 -12.850 9.603 1.100 1.00 0.00 C ATOM 0 H VAL A 29 -13.868 8.327 3.086 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.102 8.535 2.913 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.214 10.728 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.601 11.974 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.965 11.636 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.403 10.679 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.166 10.404 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.033 9.048 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.688 8.930 1.282 1.00 0.00 H new ATOM 458 N GLU A 30 -12.392 10.017 5.568 1.00 0.00 N ATOM 459 CA GLU A 30 -12.050 10.556 6.885 1.00 0.00 C ATOM 460 C GLU A 30 -11.241 9.536 7.680 1.00 0.00 C ATOM 461 O GLU A 30 -10.334 9.891 8.437 1.00 0.00 O ATOM 462 CB GLU A 30 -13.302 10.918 7.673 1.00 0.00 C ATOM 463 CG GLU A 30 -14.396 11.532 6.828 1.00 0.00 C ATOM 464 CD GLU A 30 -15.588 11.962 7.651 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.394 11.089 8.040 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.725 13.172 7.919 1.00 0.00 O ATOM 0 H GLU A 30 -13.393 9.926 5.395 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.457 11.457 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.689 10.021 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.033 11.616 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.997 12.394 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.718 10.811 6.076 1.00 0.00 H new ATOM 473 N LYS A 31 -11.580 8.267 7.497 1.00 0.00 N ATOM 474 CA LYS A 31 -10.884 7.178 8.172 1.00 0.00 C ATOM 475 C LYS A 31 -9.454 7.054 7.663 1.00 0.00 C ATOM 476 O LYS A 31 -8.518 6.953 8.448 1.00 0.00 O ATOM 477 CB LYS A 31 -11.622 5.854 7.983 1.00 0.00 C ATOM 478 CG LYS A 31 -13.032 5.869 8.545 1.00 0.00 C ATOM 479 CD LYS A 31 -13.658 4.482 8.531 1.00 0.00 C ATOM 480 CE LYS A 31 -15.112 4.522 8.992 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.695 3.161 9.116 1.00 0.00 N ATOM 0 H LYS A 31 -12.337 7.965 6.884 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.859 7.411 9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.664 5.618 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.055 5.057 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.013 6.249 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.649 6.553 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.605 4.068 7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.087 3.817 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.173 5.032 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.701 5.105 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.683 3.234 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.661 2.683 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.150 2.612 9.811 1.00 0.00 H new ATOM 495 N PHE A 32 -9.294 7.075 6.345 1.00 0.00 N ATOM 496 CA PHE A 32 -7.979 6.972 5.719 1.00 0.00 C ATOM 497 C PHE A 32 -7.065 8.100 6.184 1.00 0.00 C ATOM 498 O PHE A 32 -5.863 7.907 6.369 1.00 0.00 O ATOM 499 CB PHE A 32 -8.104 7.002 4.195 1.00 0.00 C ATOM 500 CG PHE A 32 -9.052 5.975 3.640 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.207 4.745 4.259 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.786 6.240 2.495 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.072 3.801 3.748 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.654 5.297 1.979 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.797 4.076 2.607 1.00 0.00 C ATOM 0 H PHE A 32 -10.065 7.163 5.683 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.540 6.021 6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.437 7.993 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.118 6.847 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.643 4.523 5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.678 7.194 2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.182 2.846 4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.220 5.515 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.475 3.337 2.206 1.00 0.00 H new ATOM 515 N LYS A 33 -7.648 9.275 6.382 1.00 0.00 N ATOM 516 CA LYS A 33 -6.910 10.429 6.869 1.00 0.00 C ATOM 517 C LYS A 33 -6.298 10.117 8.237 1.00 0.00 C ATOM 518 O LYS A 33 -5.149 10.460 8.508 1.00 0.00 O ATOM 519 CB LYS A 33 -7.846 11.641 6.959 1.00 0.00 C ATOM 520 CG LYS A 33 -7.153 12.982 6.746 1.00 0.00 C ATOM 521 CD LYS A 33 -6.275 13.367 7.926 1.00 0.00 C ATOM 522 CE LYS A 33 -5.517 14.658 7.661 1.00 0.00 C ATOM 523 NZ LYS A 33 -4.667 15.051 8.817 1.00 0.00 N ATOM 0 H LYS A 33 -8.638 9.453 6.211 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.103 10.662 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.637 11.531 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.326 11.644 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.545 12.936 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.904 13.756 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.892 13.483 8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.567 12.564 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.892 14.537 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.226 15.457 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.167 15.936 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.265 15.192 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.973 14.300 9.009 1.00 0.00 H new ATOM 537 N LYS A 34 -7.065 9.432 9.077 1.00 0.00 N ATOM 538 CA LYS A 34 -6.615 9.076 10.419 1.00 0.00 C ATOM 539 C LYS A 34 -5.965 7.683 10.431 1.00 0.00 C ATOM 540 O LYS A 34 -5.871 7.035 11.477 1.00 0.00 O ATOM 541 CB LYS A 34 -7.801 9.141 11.402 1.00 0.00 C ATOM 542 CG LYS A 34 -8.705 7.916 11.396 1.00 0.00 C ATOM 543 CD LYS A 34 -9.948 8.129 12.247 1.00 0.00 C ATOM 544 CE LYS A 34 -10.898 6.946 12.143 1.00 0.00 C ATOM 545 NZ LYS A 34 -12.142 7.153 12.929 1.00 0.00 N ATOM 0 H LYS A 34 -8.006 9.110 8.852 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.858 9.793 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.411 9.282 12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.402 10.019 11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.000 7.687 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.152 7.054 11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.658 8.275 13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.459 9.037 11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.155 6.780 11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.394 6.046 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.759 6.322 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.901 7.286 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.638 7.997 12.578 1.00 0.00 H new ATOM 559 N TRP A 35 -5.486 7.256 9.259 1.00 0.00 N ATOM 560 CA TRP A 35 -4.811 5.964 9.089 1.00 0.00 C ATOM 561 C TRP A 35 -5.652 4.791 9.604 1.00 0.00 C ATOM 562 O TRP A 35 -5.156 3.930 10.336 1.00 0.00 O ATOM 563 CB TRP A 35 -3.448 5.977 9.788 1.00 0.00 C ATOM 564 CG TRP A 35 -2.452 6.910 9.166 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.204 8.201 9.530 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.567 6.623 8.075 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.218 8.734 8.735 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.812 7.786 7.835 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.337 5.497 7.277 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.155 7.856 6.834 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.378 5.568 6.284 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.359 6.738 6.070 1.00 0.00 C ATOM 0 H TRP A 35 -5.555 7.798 8.398 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.671 5.818 8.018 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.589 6.256 10.832 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.038 4.967 9.781 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.709 8.727 10.327 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.849 9.682 8.804 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.899 4.588 7.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.723 8.759 6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.194 4.705 5.662 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.103 6.760 5.287 1.00 0.00 H new ATOM 583 N GLU A 36 -6.914 4.754 9.208 1.00 0.00 N ATOM 584 CA GLU A 36 -7.812 3.679 9.601 1.00 0.00 C ATOM 585 C GLU A 36 -8.413 3.039 8.358 1.00 0.00 C ATOM 586 O GLU A 36 -9.228 3.645 7.664 1.00 0.00 O ATOM 587 CB GLU A 36 -8.915 4.221 10.507 1.00 0.00 C ATOM 588 CG GLU A 36 -9.331 3.286 11.638 1.00 0.00 C ATOM 589 CD GLU A 36 -9.983 2.002 11.161 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.256 1.051 10.809 1.00 0.00 O ATOM 591 OE2 GLU A 36 -11.231 1.933 11.161 1.00 0.00 O ATOM 0 H GLU A 36 -7.342 5.461 8.611 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.252 2.925 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.580 5.164 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.791 4.443 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.452 3.037 12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.023 3.812 12.296 1.00 0.00 H new ATOM 598 N PHE A 37 -7.993 1.820 8.079 1.00 0.00 N ATOM 599 CA PHE A 37 -8.424 1.113 6.881 1.00 0.00 C ATOM 600 C PHE A 37 -9.248 -0.112 7.255 1.00 0.00 C ATOM 601 O PHE A 37 -8.691 -1.151 7.614 1.00 0.00 O ATOM 602 CB PHE A 37 -7.204 0.686 6.051 1.00 0.00 C ATOM 603 CG PHE A 37 -6.251 1.815 5.757 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.299 2.489 4.546 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.314 2.208 6.701 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.431 3.531 4.286 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.443 3.248 6.444 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.502 3.911 5.234 1.00 0.00 C ATOM 0 H PHE A 37 -7.349 1.293 8.669 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.043 1.785 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.669 -0.100 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.547 0.257 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.022 2.196 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.265 1.694 7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.479 4.049 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.717 3.542 7.188 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.823 4.725 5.030 1.00 0.00 H new ATOM 618 N PRO A 38 -10.587 -0.004 7.218 1.00 0.00 N ATOM 619 CA PRO A 38 -11.476 -1.142 7.471 1.00 0.00 C ATOM 620 C PRO A 38 -11.287 -2.259 6.456 1.00 0.00 C ATOM 621 O PRO A 38 -11.065 -2.009 5.267 1.00 0.00 O ATOM 622 CB PRO A 38 -12.878 -0.549 7.340 1.00 0.00 C ATOM 623 CG PRO A 38 -12.693 0.912 7.545 1.00 0.00 C ATOM 624 CD PRO A 38 -11.349 1.229 6.952 1.00 0.00 C ATOM 0 HA PRO A 38 -11.280 -1.594 8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.307 -0.760 6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.556 -0.970 8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.483 1.481 7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.726 1.168 8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.416 1.443 5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.892 2.099 7.424 1.00 0.00 H new ATOM 632 N GLU A 39 -11.373 -3.489 6.934 1.00 0.00 N ATOM 633 CA GLU A 39 -11.251 -4.654 6.077 1.00 0.00 C ATOM 634 C GLU A 39 -12.548 -4.864 5.302 1.00 0.00 C ATOM 635 O GLU A 39 -13.418 -5.648 5.691 1.00 0.00 O ATOM 636 CB GLU A 39 -10.883 -5.886 6.907 1.00 0.00 C ATOM 637 CG GLU A 39 -10.632 -7.135 6.077 1.00 0.00 C ATOM 638 CD GLU A 39 -9.974 -8.241 6.871 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.679 -8.946 7.623 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.744 -8.429 6.736 1.00 0.00 O ATOM 0 H GLU A 39 -11.528 -3.706 7.918 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.450 -4.492 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.990 -5.665 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.686 -6.088 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.579 -7.496 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.001 -6.880 5.226 1.00 0.00 H new ATOM 647 N ASP A 40 -12.658 -4.137 4.203 1.00 0.00 N ATOM 648 CA ASP A 40 -13.857 -4.139 3.371 1.00 0.00 C ATOM 649 C ASP A 40 -13.461 -3.890 1.925 1.00 0.00 C ATOM 650 O ASP A 40 -12.491 -3.178 1.654 1.00 0.00 O ATOM 651 CB ASP A 40 -14.846 -3.057 3.834 1.00 0.00 C ATOM 652 CG ASP A 40 -16.117 -3.044 3.007 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.163 -2.333 1.979 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.074 -3.757 3.376 1.00 0.00 O ATOM 0 H ASP A 40 -11.918 -3.526 3.859 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.347 -5.109 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.099 -3.224 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.366 -2.080 3.773 1.00 0.00 H new ATOM 659 N ASP A 41 -14.226 -4.478 1.007 1.00 0.00 N ATOM 660 CA ASP A 41 -13.886 -4.476 -0.419 1.00 0.00 C ATOM 661 C ASP A 41 -13.833 -3.060 -0.990 1.00 0.00 C ATOM 662 O ASP A 41 -13.190 -2.829 -2.016 1.00 0.00 O ATOM 663 CB ASP A 41 -14.879 -5.324 -1.228 1.00 0.00 C ATOM 664 CG ASP A 41 -16.280 -4.747 -1.245 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.609 -4.007 -2.196 1.00 0.00 O ATOM 666 OD2 ASP A 41 -17.059 -5.037 -0.312 1.00 0.00 O ATOM 0 H ASP A 41 -15.094 -4.967 1.226 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.892 -4.916 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.518 -5.416 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.912 -6.330 -0.810 1.00 0.00 H new ATOM 671 N THR A 42 -14.506 -2.121 -0.332 1.00 0.00 N ATOM 672 CA THR A 42 -14.460 -0.725 -0.736 1.00 0.00 C ATOM 673 C THR A 42 -13.047 -0.174 -0.562 1.00 0.00 C ATOM 674 O THR A 42 -12.432 0.330 -1.507 1.00 0.00 O ATOM 675 CB THR A 42 -15.433 0.113 0.108 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.720 -0.513 0.141 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.557 1.517 -0.449 1.00 0.00 C ATOM 0 H THR A 42 -15.090 -2.305 0.484 1.00 0.00 H new ATOM 0 HA THR A 42 -14.751 -0.665 -1.785 1.00 0.00 H new ATOM 0 HB THR A 42 -15.039 0.177 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.821 -1.010 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.251 2.092 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.580 1.999 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.930 1.471 -1.472 1.00 0.00 H new ATOM 685 N THR A 43 -12.542 -0.300 0.659 1.00 0.00 N ATOM 686 CA THR A 43 -11.200 0.142 1.006 1.00 0.00 C ATOM 687 C THR A 43 -10.149 -0.573 0.161 1.00 0.00 C ATOM 688 O THR A 43 -9.121 0.004 -0.196 1.00 0.00 O ATOM 689 CB THR A 43 -10.917 -0.140 2.494 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.988 0.371 3.299 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.602 0.489 2.932 1.00 0.00 C ATOM 0 H THR A 43 -13.055 -0.713 1.438 1.00 0.00 H new ATOM 0 HA THR A 43 -11.144 1.213 0.811 1.00 0.00 H new ATOM 0 HB THR A 43 -10.842 -1.219 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.287 1.231 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.429 0.273 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.786 0.077 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.648 1.568 2.785 1.00 0.00 H new ATOM 699 N MET A 44 -10.427 -1.824 -0.174 1.00 0.00 N ATOM 700 CA MET A 44 -9.458 -2.663 -0.860 1.00 0.00 C ATOM 701 C MET A 44 -9.184 -2.168 -2.277 1.00 0.00 C ATOM 702 O MET A 44 -8.029 -1.991 -2.661 1.00 0.00 O ATOM 703 CB MET A 44 -9.931 -4.114 -0.880 1.00 0.00 C ATOM 704 CG MET A 44 -10.131 -4.689 0.512 1.00 0.00 C ATOM 705 SD MET A 44 -10.699 -6.396 0.502 1.00 0.00 S ATOM 706 CE MET A 44 -10.843 -6.683 2.265 1.00 0.00 C ATOM 0 H MET A 44 -11.318 -2.281 0.019 1.00 0.00 H new ATOM 0 HA MET A 44 -8.520 -2.605 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.869 -4.178 -1.432 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.203 -4.721 -1.417 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.191 -4.629 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.854 -4.076 1.050 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.658 -7.736 2.479 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.112 -6.071 2.794 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.847 -6.417 2.596 1.00 0.00 H new ATOM 716 N CYS A 45 -10.236 -1.938 -3.056 1.00 0.00 N ATOM 717 CA CYS A 45 -10.059 -1.430 -4.415 1.00 0.00 C ATOM 718 C CYS A 45 -9.504 -0.011 -4.384 1.00 0.00 C ATOM 719 O CYS A 45 -8.797 0.403 -5.301 1.00 0.00 O ATOM 720 CB CYS A 45 -11.367 -1.478 -5.213 1.00 0.00 C ATOM 721 SG CYS A 45 -11.964 -3.168 -5.575 1.00 0.00 S ATOM 0 H CYS A 45 -11.205 -2.092 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.343 -2.078 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.138 -0.944 -4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.225 -0.946 -6.154 1.00 0.00 H new ATOM 726 N TYR A 46 -9.812 0.725 -3.317 1.00 0.00 N ATOM 727 CA TYR A 46 -9.251 2.052 -3.121 1.00 0.00 C ATOM 728 C TYR A 46 -7.732 1.974 -3.043 1.00 0.00 C ATOM 729 O TYR A 46 -7.025 2.699 -3.744 1.00 0.00 O ATOM 730 CB TYR A 46 -9.823 2.681 -1.849 1.00 0.00 C ATOM 731 CG TYR A 46 -9.015 3.853 -1.332 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.997 5.068 -2.007 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.266 3.739 -0.166 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.260 6.136 -1.531 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.527 4.802 0.315 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.526 5.996 -0.370 1.00 0.00 C ATOM 737 OH TYR A 46 -6.800 7.059 0.112 1.00 0.00 O ATOM 0 H TYR A 46 -10.447 0.421 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.521 2.680 -3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.843 3.013 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.880 1.919 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.568 5.179 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.262 2.803 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.258 7.075 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.953 4.697 1.224 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.003 7.190 1.062 1.00 0.00 H new ATOM 747 N ILE A 47 -7.243 1.076 -2.192 1.00 0.00 N ATOM 748 CA ILE A 47 -5.813 0.861 -2.036 1.00 0.00 C ATOM 749 C ILE A 47 -5.194 0.419 -3.356 1.00 0.00 C ATOM 750 O ILE A 47 -4.106 0.858 -3.714 1.00 0.00 O ATOM 751 CB ILE A 47 -5.512 -0.193 -0.944 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.952 0.322 0.437 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.031 -0.565 -0.940 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.260 1.599 0.871 1.00 0.00 C ATOM 0 H ILE A 47 -7.823 0.484 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.373 1.809 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.082 -1.094 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.029 0.492 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.761 -0.453 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.844 -1.307 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.757 -0.978 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.433 0.325 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.626 1.895 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.184 1.431 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.472 2.390 0.152 1.00 0.00 H new ATOM 766 N LYS A 48 -5.910 -0.432 -4.081 1.00 0.00 N ATOM 767 CA LYS A 48 -5.434 -0.942 -5.354 1.00 0.00 C ATOM 768 C LYS A 48 -5.208 0.204 -6.336 1.00 0.00 C ATOM 769 O LYS A 48 -4.119 0.356 -6.885 1.00 0.00 O ATOM 770 CB LYS A 48 -6.441 -1.934 -5.935 1.00 0.00 C ATOM 771 CG LYS A 48 -5.901 -2.714 -7.119 1.00 0.00 C ATOM 772 CD LYS A 48 -7.014 -3.371 -7.914 1.00 0.00 C ATOM 773 CE LYS A 48 -6.461 -4.108 -9.120 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.536 -4.631 -10.004 1.00 0.00 N ATOM 0 H LYS A 48 -6.827 -0.783 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.486 -1.454 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.743 -2.633 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.336 -1.394 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.336 -2.045 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.207 -3.477 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.559 -4.067 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.727 -2.614 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.819 -3.436 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.837 -4.935 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.113 -5.198 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.183 -5.226 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.064 -3.836 -10.416 1.00 0.00 H new ATOM 788 N CYS A 49 -6.248 1.009 -6.541 1.00 0.00 N ATOM 789 CA CYS A 49 -6.180 2.151 -7.450 1.00 0.00 C ATOM 790 C CYS A 49 -5.040 3.101 -7.078 1.00 0.00 C ATOM 791 O CYS A 49 -4.248 3.500 -7.934 1.00 0.00 O ATOM 792 CB CYS A 49 -7.515 2.898 -7.454 1.00 0.00 C ATOM 793 SG CYS A 49 -7.473 4.509 -8.313 1.00 0.00 S ATOM 0 H CYS A 49 -7.153 0.890 -6.087 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.978 1.771 -8.451 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.269 2.268 -7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.832 3.057 -6.423 1.00 0.00 H new ATOM 798 N VAL A 50 -4.950 3.448 -5.796 1.00 0.00 N ATOM 799 CA VAL A 50 -3.923 4.357 -5.314 1.00 0.00 C ATOM 800 C VAL A 50 -2.532 3.774 -5.535 1.00 0.00 C ATOM 801 O VAL A 50 -1.622 4.462 -5.998 1.00 0.00 O ATOM 802 CB VAL A 50 -4.139 4.674 -3.820 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.926 5.349 -3.211 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.360 5.558 -3.655 1.00 0.00 C ATOM 0 H VAL A 50 -5.582 3.109 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.999 5.284 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.294 3.731 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.116 5.557 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.061 4.692 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.728 6.284 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.509 5.779 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.212 6.488 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.238 5.043 -4.045 1.00 0.00 H new ATOM 814 N PHE A 51 -2.390 2.491 -5.234 1.00 0.00 N ATOM 815 CA PHE A 51 -1.123 1.794 -5.397 1.00 0.00 C ATOM 816 C PHE A 51 -0.733 1.704 -6.871 1.00 0.00 C ATOM 817 O PHE A 51 0.443 1.582 -7.210 1.00 0.00 O ATOM 818 CB PHE A 51 -1.212 0.398 -4.775 1.00 0.00 C ATOM 819 CG PHE A 51 -0.778 0.343 -3.336 1.00 0.00 C ATOM 820 CD1 PHE A 51 -1.014 1.409 -2.480 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.141 -0.781 -2.837 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.620 1.354 -1.156 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.255 -0.842 -1.515 1.00 0.00 C ATOM 824 CZ PHE A 51 0.014 0.227 -0.673 1.00 0.00 C ATOM 0 H PHE A 51 -3.144 1.908 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.347 2.361 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.240 0.043 -4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.596 -0.288 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.511 2.292 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.049 -1.620 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.808 2.192 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.752 -1.724 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.321 0.181 0.361 1.00 0.00 H new ATOM 834 N ASN A 52 -1.730 1.771 -7.743 1.00 0.00 N ATOM 835 CA ASN A 52 -1.494 1.752 -9.183 1.00 0.00 C ATOM 836 C ASN A 52 -1.019 3.116 -9.660 1.00 0.00 C ATOM 837 O ASN A 52 -0.078 3.222 -10.446 1.00 0.00 O ATOM 838 CB ASN A 52 -2.762 1.357 -9.953 1.00 0.00 C ATOM 839 CG ASN A 52 -3.119 -0.109 -9.800 1.00 0.00 C ATOM 840 OD1 ASN A 52 -2.256 -0.956 -9.570 1.00 0.00 O ATOM 841 ND2 ASN A 52 -4.394 -0.426 -9.955 1.00 0.00 N ATOM 0 H ASN A 52 -2.713 1.839 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.723 1.007 -9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.596 1.966 -9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.623 1.582 -11.010 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.690 -1.400 -9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.081 0.303 -10.145 1.00 0.00 H new ATOM 848 N LYS A 53 -1.667 4.161 -9.164 1.00 0.00 N ATOM 849 CA LYS A 53 -1.334 5.528 -9.545 1.00 0.00 C ATOM 850 C LYS A 53 0.027 5.940 -8.995 1.00 0.00 C ATOM 851 O LYS A 53 0.707 6.788 -9.568 1.00 0.00 O ATOM 852 CB LYS A 53 -2.417 6.490 -9.054 1.00 0.00 C ATOM 853 CG LYS A 53 -3.627 6.586 -9.979 1.00 0.00 C ATOM 854 CD LYS A 53 -3.257 7.173 -11.336 1.00 0.00 C ATOM 855 CE LYS A 53 -4.474 7.323 -12.239 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.511 8.202 -11.638 1.00 0.00 N ATOM 0 H LYS A 53 -2.431 4.088 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.283 5.573 -10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.752 6.171 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.982 7.482 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.058 5.595 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.393 7.205 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.787 8.146 -11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.521 6.531 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.164 7.734 -13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.902 6.340 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.050 8.671 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.156 7.630 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.054 8.921 -11.042 1.00 0.00 H new ATOM 870 N MET A 54 0.422 5.328 -7.888 1.00 0.00 N ATOM 871 CA MET A 54 1.722 5.601 -7.286 1.00 0.00 C ATOM 872 C MET A 54 2.797 4.702 -7.890 1.00 0.00 C ATOM 873 O MET A 54 3.968 4.774 -7.518 1.00 0.00 O ATOM 874 CB MET A 54 1.652 5.400 -5.772 1.00 0.00 C ATOM 875 CG MET A 54 0.846 6.471 -5.063 1.00 0.00 C ATOM 876 SD MET A 54 0.479 6.059 -3.346 1.00 0.00 S ATOM 877 CE MET A 54 2.080 6.275 -2.581 1.00 0.00 C ATOM 0 H MET A 54 -0.138 4.638 -7.387 1.00 0.00 H new ATOM 0 HA MET A 54 1.988 6.638 -7.493 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.213 4.425 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.664 5.388 -5.367 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.395 7.412 -5.095 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.089 6.629 -5.600 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.471 5.305 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.765 6.734 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.982 6.918 -1.706 1.00 0.00 H new ATOM 887 N GLN A 55 2.367 3.860 -8.835 1.00 0.00 N ATOM 888 CA GLN A 55 3.235 2.902 -9.515 1.00 0.00 C ATOM 889 C GLN A 55 3.962 2.004 -8.522 1.00 0.00 C ATOM 890 O GLN A 55 5.164 1.780 -8.630 1.00 0.00 O ATOM 891 CB GLN A 55 4.227 3.621 -10.424 1.00 0.00 C ATOM 892 CG GLN A 55 3.604 4.086 -11.726 1.00 0.00 C ATOM 893 CD GLN A 55 4.593 4.803 -12.622 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.784 4.497 -12.626 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.106 5.773 -13.379 1.00 0.00 N ATOM 0 H GLN A 55 1.397 3.826 -9.150 1.00 0.00 H new ATOM 0 HA GLN A 55 2.603 2.265 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.638 4.481 -9.896 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.060 2.954 -10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.196 3.226 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.769 4.751 -11.508 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.111 5.995 -13.346 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.726 6.298 -13.996 1.00 0.00 H new ATOM 904 N LEU A 56 3.216 1.480 -7.568 1.00 0.00 N ATOM 905 CA LEU A 56 3.795 0.690 -6.495 1.00 0.00 C ATOM 906 C LEU A 56 3.265 -0.739 -6.520 1.00 0.00 C ATOM 907 O LEU A 56 3.816 -1.638 -5.881 1.00 0.00 O ATOM 908 CB LEU A 56 3.502 1.370 -5.151 1.00 0.00 C ATOM 909 CG LEU A 56 4.640 2.244 -4.617 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.221 2.955 -3.341 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.879 1.408 -4.364 1.00 0.00 C ATOM 0 H LEU A 56 2.203 1.587 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 56 4.875 0.633 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.608 1.985 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.274 0.602 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 56 4.872 2.995 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.045 3.570 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.357 3.588 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.959 2.217 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.677 2.046 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.653 0.635 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.199 0.941 -5.295 1.00 0.00 H new ATOM 923 N PHE A 57 2.199 -0.942 -7.278 1.00 0.00 N ATOM 924 CA PHE A 57 1.589 -2.253 -7.416 1.00 0.00 C ATOM 925 C PHE A 57 1.193 -2.473 -8.867 1.00 0.00 C ATOM 926 O PHE A 57 0.792 -1.535 -9.556 1.00 0.00 O ATOM 927 CB PHE A 57 0.362 -2.373 -6.494 1.00 0.00 C ATOM 928 CG PHE A 57 -0.376 -3.680 -6.606 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.052 -4.800 -5.908 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.507 -3.783 -7.399 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.633 -5.995 -6.002 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.194 -4.977 -7.499 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.757 -6.083 -6.799 1.00 0.00 C ATOM 0 H PHE A 57 1.735 -0.207 -7.812 1.00 0.00 H new ATOM 0 HA PHE A 57 2.307 -3.019 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.685 -2.239 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.328 -1.560 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.931 -4.736 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.856 -2.919 -7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.290 -6.860 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.072 -5.045 -8.124 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.294 -7.017 -6.875 1.00 0.00 H new ATOM 943 N ASP A 58 1.341 -3.699 -9.331 1.00 0.00 N ATOM 944 CA ASP A 58 0.955 -4.062 -10.685 1.00 0.00 C ATOM 945 C ASP A 58 0.041 -5.280 -10.657 1.00 0.00 C ATOM 946 O ASP A 58 0.248 -6.202 -9.874 1.00 0.00 O ATOM 947 CB ASP A 58 2.201 -4.351 -11.528 1.00 0.00 C ATOM 948 CG ASP A 58 1.856 -4.846 -12.914 1.00 0.00 C ATOM 949 OD1 ASP A 58 2.130 -6.024 -13.213 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.292 -4.066 -13.707 1.00 0.00 O ATOM 0 H ASP A 58 1.729 -4.469 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 58 0.415 -3.229 -11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.801 -3.444 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.815 -5.096 -11.021 1.00 0.00 H new ATOM 955 N ASP A 59 -0.984 -5.261 -11.507 1.00 0.00 N ATOM 956 CA ASP A 59 -1.960 -6.355 -11.583 1.00 0.00 C ATOM 957 C ASP A 59 -1.304 -7.682 -11.940 1.00 0.00 C ATOM 958 O ASP A 59 -1.820 -8.743 -11.599 1.00 0.00 O ATOM 959 CB ASP A 59 -3.047 -6.050 -12.615 1.00 0.00 C ATOM 960 CG ASP A 59 -4.073 -5.049 -12.127 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.110 -5.476 -11.574 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.862 -3.832 -12.313 1.00 0.00 O ATOM 0 H ASP A 59 -1.164 -4.497 -12.158 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.405 -6.440 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.580 -5.668 -13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.553 -6.977 -12.884 1.00 0.00 H new ATOM 967 N THR A 60 -0.184 -7.625 -12.638 1.00 0.00 N ATOM 968 CA THR A 60 0.498 -8.826 -13.075 1.00 0.00 C ATOM 969 C THR A 60 1.579 -9.258 -12.080 1.00 0.00 C ATOM 970 O THR A 60 1.468 -10.314 -11.451 1.00 0.00 O ATOM 971 CB THR A 60 1.115 -8.614 -14.471 1.00 0.00 C ATOM 972 OG1 THR A 60 0.071 -8.450 -15.441 1.00 0.00 O ATOM 973 CG2 THR A 60 2.016 -9.769 -14.867 1.00 0.00 C ATOM 0 H THR A 60 0.272 -6.756 -12.914 1.00 0.00 H new ATOM 0 HA THR A 60 -0.243 -9.624 -13.128 1.00 0.00 H new ATOM 0 HB THR A 60 1.728 -7.714 -14.435 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.466 -8.314 -16.327 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.432 -9.583 -15.857 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.827 -9.862 -14.144 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.437 -10.693 -14.884 1.00 0.00 H new ATOM 981 N GLU A 61 2.619 -8.441 -11.932 1.00 0.00 N ATOM 982 CA GLU A 61 3.750 -8.791 -11.080 1.00 0.00 C ATOM 983 C GLU A 61 3.402 -8.686 -9.599 1.00 0.00 C ATOM 984 O GLU A 61 4.081 -9.269 -8.753 1.00 0.00 O ATOM 985 CB GLU A 61 4.946 -7.891 -11.366 1.00 0.00 C ATOM 986 CG GLU A 61 5.200 -7.645 -12.836 1.00 0.00 C ATOM 987 CD GLU A 61 6.529 -6.963 -13.077 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.547 -7.674 -13.211 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.574 -5.716 -13.128 1.00 0.00 O ATOM 0 H GLU A 61 2.701 -7.534 -12.391 1.00 0.00 H new ATOM 0 HA GLU A 61 4.002 -9.826 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.792 -6.933 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.837 -8.338 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.178 -8.594 -13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.398 -7.030 -13.244 1.00 0.00 H new ATOM 996 N GLY A 62 2.341 -7.963 -9.284 1.00 0.00 N ATOM 997 CA GLY A 62 2.009 -7.718 -7.896 1.00 0.00 C ATOM 998 C GLY A 62 2.770 -6.533 -7.338 1.00 0.00 C ATOM 999 O GLY A 62 3.026 -5.568 -8.058 1.00 0.00 O ATOM 0 H GLY A 62 1.705 -7.542 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.938 -7.538 -7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.235 -8.606 -7.306 1.00 0.00 H new ATOM 1003 N PRO A 63 3.133 -6.575 -6.050 1.00 0.00 N ATOM 1004 CA PRO A 63 3.927 -5.521 -5.410 1.00 0.00 C ATOM 1005 C PRO A 63 5.266 -5.306 -6.113 1.00 0.00 C ATOM 1006 O PRO A 63 6.057 -6.241 -6.272 1.00 0.00 O ATOM 1007 CB PRO A 63 4.150 -6.044 -3.984 1.00 0.00 C ATOM 1008 CG PRO A 63 3.079 -7.059 -3.767 1.00 0.00 C ATOM 1009 CD PRO A 63 2.785 -7.652 -5.118 1.00 0.00 C ATOM 0 HA PRO A 63 3.422 -4.556 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.140 -6.488 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.082 -5.238 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.407 -7.828 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.187 -6.599 -3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.379 -8.548 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.738 -7.939 -5.210 1.00 0.00 H new ATOM 1017 N LEU A 64 5.509 -4.074 -6.538 1.00 0.00 N ATOM 1018 CA LEU A 64 6.745 -3.733 -7.231 1.00 0.00 C ATOM 1019 C LEU A 64 7.839 -3.434 -6.222 1.00 0.00 C ATOM 1020 O LEU A 64 7.980 -2.305 -5.753 1.00 0.00 O ATOM 1021 CB LEU A 64 6.537 -2.536 -8.162 1.00 0.00 C ATOM 1022 CG LEU A 64 5.377 -2.700 -9.147 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.166 -1.431 -9.958 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.644 -3.879 -10.064 1.00 0.00 C ATOM 0 H LEU A 64 4.866 -3.292 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 64 7.046 -4.586 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.362 -1.646 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.455 -2.364 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 64 4.465 -2.889 -8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.336 -1.575 -10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.939 -0.603 -9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.072 -1.204 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.815 -3.991 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.566 -3.707 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.743 -4.787 -9.470 1.00 0.00 H new ATOM 1036 N VAL A 65 8.604 -4.470 -5.904 1.00 0.00 N ATOM 1037 CA VAL A 65 9.626 -4.425 -4.866 1.00 0.00 C ATOM 1038 C VAL A 65 10.583 -3.250 -5.039 1.00 0.00 C ATOM 1039 O VAL A 65 10.891 -2.556 -4.074 1.00 0.00 O ATOM 1040 CB VAL A 65 10.430 -5.738 -4.838 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.593 -5.650 -3.863 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.521 -6.901 -4.481 1.00 0.00 C ATOM 0 H VAL A 65 8.531 -5.377 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 65 9.101 -4.292 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 65 10.842 -5.906 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.142 -6.592 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.259 -4.841 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.213 -5.454 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.101 -7.824 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.081 -6.731 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.728 -6.984 -5.224 1.00 0.00 H new ATOM 1052 N ASP A 66 11.041 -3.027 -6.261 1.00 0.00 N ATOM 1053 CA ASP A 66 12.002 -1.964 -6.531 1.00 0.00 C ATOM 1054 C ASP A 66 11.446 -0.603 -6.125 1.00 0.00 C ATOM 1055 O ASP A 66 12.039 0.097 -5.303 1.00 0.00 O ATOM 1056 CB ASP A 66 12.387 -1.961 -8.005 1.00 0.00 C ATOM 1057 CG ASP A 66 13.343 -0.836 -8.353 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.445 -0.781 -7.767 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.000 -0.007 -9.221 1.00 0.00 O ATOM 0 H ASP A 66 10.765 -3.566 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 66 12.894 -2.155 -5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.847 -2.916 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.487 -1.869 -8.612 1.00 0.00 H new ATOM 1064 N ASN A 67 10.295 -0.241 -6.680 1.00 0.00 N ATOM 1065 CA ASN A 67 9.656 1.029 -6.352 1.00 0.00 C ATOM 1066 C ASN A 67 9.313 1.090 -4.868 1.00 0.00 C ATOM 1067 O ASN A 67 9.372 2.150 -4.250 1.00 0.00 O ATOM 1068 CB ASN A 67 8.394 1.240 -7.188 1.00 0.00 C ATOM 1069 CG ASN A 67 8.692 1.554 -8.643 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.690 1.101 -9.205 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.826 2.333 -9.261 1.00 0.00 N ATOM 0 H ASN A 67 9.786 -0.808 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 67 10.362 1.826 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.776 0.344 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.812 2.055 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.971 2.581 -10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.011 2.688 -8.760 1.00 0.00 H new ATOM 1078 N LEU A 68 8.971 -0.063 -4.306 1.00 0.00 N ATOM 1079 CA LEU A 68 8.630 -0.167 -2.892 1.00 0.00 C ATOM 1080 C LEU A 68 9.806 0.225 -2.007 1.00 0.00 C ATOM 1081 O LEU A 68 9.644 0.968 -1.043 1.00 0.00 O ATOM 1082 CB LEU A 68 8.151 -1.582 -2.570 1.00 0.00 C ATOM 1083 CG LEU A 68 6.677 -1.837 -2.887 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.386 -3.325 -2.939 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.794 -1.166 -1.851 1.00 0.00 C ATOM 0 H LEU A 68 8.922 -0.947 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 68 7.820 0.532 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.759 -2.294 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.322 -1.778 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 68 6.459 -1.411 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.331 -3.482 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.997 -3.788 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.620 -3.776 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.747 -1.355 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.021 -1.569 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.979 -0.092 -1.856 1.00 0.00 H new ATOM 1097 N VAL A 69 10.988 -0.265 -2.345 1.00 0.00 N ATOM 1098 CA VAL A 69 12.192 0.079 -1.610 1.00 0.00 C ATOM 1099 C VAL A 69 12.576 1.537 -1.857 1.00 0.00 C ATOM 1100 O VAL A 69 12.919 2.257 -0.926 1.00 0.00 O ATOM 1101 CB VAL A 69 13.358 -0.843 -1.996 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.606 -0.478 -1.219 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.989 -2.296 -1.755 1.00 0.00 C ATOM 0 H VAL A 69 11.138 -0.904 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 69 11.983 -0.056 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 69 13.563 -0.710 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.421 -1.142 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.883 0.553 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.413 -0.581 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.827 -2.935 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.756 -2.442 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.119 -2.555 -2.358 1.00 0.00 H new ATOM 1113 N HIS A 70 12.483 1.974 -3.109 1.00 0.00 N ATOM 1114 CA HIS A 70 12.799 3.363 -3.462 1.00 0.00 C ATOM 1115 C HIS A 70 11.924 4.343 -2.685 1.00 0.00 C ATOM 1116 O HIS A 70 12.357 5.442 -2.345 1.00 0.00 O ATOM 1117 CB HIS A 70 12.616 3.614 -4.962 1.00 0.00 C ATOM 1118 CG HIS A 70 13.758 3.152 -5.814 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.057 1.932 -6.311 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 14.741 3.999 -6.275 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.199 2.062 -7.055 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 15.592 3.318 -7.018 1.00 0.00 N flip ATOM 0 H HIS A 70 12.193 1.393 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 70 13.844 3.525 -3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.707 3.113 -5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.468 4.682 -5.123 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.529 1.072 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.805 5.056 -6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.697 1.264 -7.586 1.00 0.00 H new ATOM 1131 N GLN A 71 10.695 3.935 -2.410 1.00 0.00 N ATOM 1132 CA GLN A 71 9.740 4.785 -1.712 1.00 0.00 C ATOM 1133 C GLN A 71 9.903 4.671 -0.200 1.00 0.00 C ATOM 1134 O GLN A 71 10.204 5.656 0.479 1.00 0.00 O ATOM 1135 CB GLN A 71 8.311 4.391 -2.097 1.00 0.00 C ATOM 1136 CG GLN A 71 7.264 5.407 -1.662 1.00 0.00 C ATOM 1137 CD GLN A 71 7.435 6.756 -2.328 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.890 6.850 -3.464 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.071 7.814 -1.620 1.00 0.00 N ATOM 0 H GLN A 71 10.333 3.015 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 71 9.932 5.817 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.256 4.264 -3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.076 3.425 -1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.272 5.018 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.315 5.533 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.697 7.694 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.165 8.749 -2.016 1.00 0.00 H new ATOM 1148 N LEU A 72 9.710 3.462 0.313 1.00 0.00 N ATOM 1149 CA LEU A 72 9.689 3.219 1.754 1.00 0.00 C ATOM 1150 C LEU A 72 11.031 3.512 2.418 1.00 0.00 C ATOM 1151 O LEU A 72 11.074 4.111 3.490 1.00 0.00 O ATOM 1152 CB LEU A 72 9.267 1.780 2.050 1.00 0.00 C ATOM 1153 CG LEU A 72 7.808 1.451 1.732 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.550 -0.035 1.919 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.866 2.263 2.609 1.00 0.00 C ATOM 0 H LEU A 72 9.564 2.626 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 72 8.958 3.909 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.907 1.106 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.447 1.575 3.105 1.00 0.00 H new ATOM 0 HG LEU A 72 7.618 1.714 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.507 -0.255 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.197 -0.603 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.761 -0.314 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.834 2.012 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.057 2.034 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.032 3.326 2.434 1.00 0.00 H new ATOM 1167 N ALA A 73 12.122 3.103 1.777 1.00 0.00 N ATOM 1168 CA ALA A 73 13.464 3.273 2.332 1.00 0.00 C ATOM 1169 C ALA A 73 13.951 4.725 2.272 1.00 0.00 C ATOM 1170 O ALA A 73 15.137 4.980 2.049 1.00 0.00 O ATOM 1171 CB ALA A 73 14.438 2.350 1.625 1.00 0.00 C ATOM 0 H ALA A 73 12.103 2.647 0.865 1.00 0.00 H new ATOM 0 HA ALA A 73 13.414 3.007 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.435 2.483 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.122 1.315 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.457 2.587 0.561 1.00 0.00 H new ATOM 1177 N HIS A 74 13.027 5.663 2.452 1.00 0.00 N ATOM 1178 CA HIS A 74 13.343 7.093 2.462 1.00 0.00 C ATOM 1179 C HIS A 74 14.306 7.422 3.605 1.00 0.00 C ATOM 1180 O HIS A 74 13.879 7.757 4.712 1.00 0.00 O ATOM 1181 CB HIS A 74 12.057 7.923 2.616 1.00 0.00 C ATOM 1182 CG HIS A 74 12.267 9.404 2.489 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.592 10.213 3.558 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.189 10.225 1.412 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.703 11.463 3.146 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.462 11.496 1.850 1.00 0.00 N ATOM 0 H HIS A 74 12.038 5.457 2.595 1.00 0.00 H new ATOM 0 HA HIS A 74 13.820 7.343 1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.338 7.603 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.615 7.711 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.956 9.933 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.949 12.313 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.476 12.333 1.267 1.00 0.00 H new ATOM 1195 N GLY A 75 15.599 7.323 3.331 1.00 0.00 N ATOM 1196 CA GLY A 75 16.602 7.629 4.332 1.00 0.00 C ATOM 1197 C GLY A 75 16.817 6.489 5.308 1.00 0.00 C ATOM 1198 O GLY A 75 17.105 6.717 6.482 1.00 0.00 O ATOM 0 H GLY A 75 15.974 7.034 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.545 7.862 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.302 8.521 4.881 1.00 0.00 H new ATOM 1202 N ARG A 76 16.683 5.261 4.821 1.00 0.00 N ATOM 1203 CA ARG A 76 16.841 4.080 5.665 1.00 0.00 C ATOM 1204 C ARG A 76 17.468 2.933 4.884 1.00 0.00 C ATOM 1205 O ARG A 76 17.601 3.010 3.661 1.00 0.00 O ATOM 1206 CB ARG A 76 15.490 3.650 6.244 1.00 0.00 C ATOM 1207 CG ARG A 76 15.190 4.259 7.603 1.00 0.00 C ATOM 1208 CD ARG A 76 13.962 3.632 8.233 1.00 0.00 C ATOM 1209 NE ARG A 76 13.592 4.283 9.489 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.712 3.782 10.353 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.160 2.595 10.133 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.398 4.464 11.447 1.00 0.00 N ATOM 0 H ARG A 76 16.465 5.056 3.846 1.00 0.00 H new ATOM 0 HA ARG A 76 17.508 4.340 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.700 3.930 5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.470 2.564 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.048 4.123 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.037 5.333 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.127 3.692 7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.150 2.574 8.416 1.00 0.00 H new ATOM 0 HE ARG A 76 14.034 5.174 9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.410 2.063 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.486 2.215 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.831 5.370 11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.724 4.082 12.110 1.00 0.00 H new ATOM 1226 N ASP A 77 17.858 1.881 5.601 1.00 0.00 N ATOM 1227 CA ASP A 77 18.457 0.694 4.994 1.00 0.00 C ATOM 1228 C ASP A 77 17.522 0.076 3.970 1.00 0.00 C ATOM 1229 O ASP A 77 16.531 -0.567 4.319 1.00 0.00 O ATOM 1230 CB ASP A 77 18.787 -0.349 6.064 1.00 0.00 C ATOM 1231 CG ASP A 77 19.734 0.166 7.119 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.962 0.095 6.910 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.253 0.640 8.168 1.00 0.00 O ATOM 0 H ASP A 77 17.768 1.827 6.616 1.00 0.00 H new ATOM 0 HA ASP A 77 19.374 1.007 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.863 -0.676 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.226 -1.225 5.586 1.00 0.00 H new ATOM 1238 N ALA A 78 17.859 0.272 2.705 1.00 0.00 N ATOM 1239 CA ALA A 78 17.073 -0.246 1.595 1.00 0.00 C ATOM 1240 C ALA A 78 16.949 -1.760 1.664 1.00 0.00 C ATOM 1241 O ALA A 78 15.908 -2.322 1.333 1.00 0.00 O ATOM 1242 CB ALA A 78 17.711 0.170 0.284 1.00 0.00 C ATOM 0 H ALA A 78 18.686 0.795 2.418 1.00 0.00 H new ATOM 0 HA ALA A 78 16.068 0.171 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.122 -0.218 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.747 1.258 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.723 -0.230 0.229 1.00 0.00 H new ATOM 1248 N GLU A 79 18.015 -2.412 2.110 1.00 0.00 N ATOM 1249 CA GLU A 79 18.033 -3.865 2.217 1.00 0.00 C ATOM 1250 C GLU A 79 17.018 -4.351 3.250 1.00 0.00 C ATOM 1251 O GLU A 79 16.251 -5.277 2.988 1.00 0.00 O ATOM 1252 CB GLU A 79 19.434 -4.361 2.567 1.00 0.00 C ATOM 1253 CG GLU A 79 20.453 -4.112 1.469 1.00 0.00 C ATOM 1254 CD GLU A 79 21.783 -4.775 1.750 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.003 -5.901 1.256 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.612 -4.178 2.467 1.00 0.00 O ATOM 0 H GLU A 79 18.879 -1.957 2.404 1.00 0.00 H new ATOM 0 HA GLU A 79 17.753 -4.278 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.768 -3.869 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.391 -5.430 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.059 -4.482 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.603 -3.039 1.354 1.00 0.00 H new ATOM 1263 N GLU A 80 17.007 -3.709 4.413 1.00 0.00 N ATOM 1264 CA GLU A 80 16.046 -4.030 5.463 1.00 0.00 C ATOM 1265 C GLU A 80 14.625 -3.851 4.943 1.00 0.00 C ATOM 1266 O GLU A 80 13.773 -4.729 5.097 1.00 0.00 O ATOM 1267 CB GLU A 80 16.282 -3.121 6.664 1.00 0.00 C ATOM 1268 CG GLU A 80 15.337 -3.363 7.822 1.00 0.00 C ATOM 1269 CD GLU A 80 15.609 -2.440 8.991 1.00 0.00 C ATOM 1270 OE1 GLU A 80 14.981 -1.365 9.065 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.465 -2.779 9.838 1.00 0.00 O ATOM 0 H GLU A 80 17.656 -2.960 4.653 1.00 0.00 H new ATOM 0 HA GLU A 80 16.179 -5.068 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.306 -3.256 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.188 -2.083 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.310 -3.224 7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.427 -4.398 8.151 1.00 0.00 H new ATOM 1278 N VAL A 81 14.396 -2.711 4.305 1.00 0.00 N ATOM 1279 CA VAL A 81 13.104 -2.382 3.729 1.00 0.00 C ATOM 1280 C VAL A 81 12.671 -3.427 2.700 1.00 0.00 C ATOM 1281 O VAL A 81 11.544 -3.920 2.738 1.00 0.00 O ATOM 1282 CB VAL A 81 13.156 -0.984 3.092 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.884 -0.668 2.329 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.398 0.047 4.175 1.00 0.00 C ATOM 0 H VAL A 81 15.104 -1.989 4.173 1.00 0.00 H new ATOM 0 HA VAL A 81 12.363 -2.381 4.528 1.00 0.00 H new ATOM 0 HB VAL A 81 13.975 -0.961 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.959 0.328 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.744 -1.402 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.033 -0.703 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.436 1.041 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.588 0.007 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.344 -0.164 4.673 1.00 0.00 H new ATOM 1294 N ARG A 82 13.582 -3.761 1.790 1.00 0.00 N ATOM 1295 CA ARG A 82 13.344 -4.783 0.778 1.00 0.00 C ATOM 1296 C ARG A 82 12.928 -6.110 1.410 1.00 0.00 C ATOM 1297 O ARG A 82 11.976 -6.749 0.960 1.00 0.00 O ATOM 1298 CB ARG A 82 14.609 -4.978 -0.054 1.00 0.00 C ATOM 1299 CG ARG A 82 14.409 -5.897 -1.239 1.00 0.00 C ATOM 1300 CD ARG A 82 15.652 -5.965 -2.105 1.00 0.00 C ATOM 1301 NE ARG A 82 15.939 -4.681 -2.746 1.00 0.00 N ATOM 1302 CZ ARG A 82 17.056 -3.974 -2.557 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.994 -4.401 -1.714 1.00 0.00 N ATOM 1304 NH2 ARG A 82 17.229 -2.833 -3.212 1.00 0.00 N ATOM 0 H ARG A 82 14.505 -3.330 1.734 1.00 0.00 H new ATOM 0 HA ARG A 82 12.527 -4.448 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.955 -4.008 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.396 -5.383 0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.154 -6.897 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.567 -5.545 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.504 -6.265 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.521 -6.731 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 82 15.237 -4.300 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.863 -5.275 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.844 -3.854 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.511 -2.500 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.080 -2.288 -3.072 1.00 0.00 H new ATOM 1318 N THR A 83 13.637 -6.507 2.459 1.00 0.00 N ATOM 1319 CA THR A 83 13.378 -7.781 3.128 1.00 0.00 C ATOM 1320 C THR A 83 11.979 -7.795 3.746 1.00 0.00 C ATOM 1321 O THR A 83 11.228 -8.761 3.582 1.00 0.00 O ATOM 1322 CB THR A 83 14.414 -8.053 4.236 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.735 -7.717 3.779 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.384 -9.515 4.643 1.00 0.00 C ATOM 0 H THR A 83 14.398 -5.965 2.868 1.00 0.00 H new ATOM 0 HA THR A 83 13.452 -8.561 2.371 1.00 0.00 H new ATOM 0 HB THR A 83 14.160 -7.434 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.848 -6.744 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 83 15.122 -9.690 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.392 -9.769 5.016 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.617 -10.138 3.779 1.00 0.00 H new ATOM 1332 N GLU A 84 11.640 -6.723 4.451 1.00 0.00 N ATOM 1333 CA GLU A 84 10.324 -6.597 5.071 1.00 0.00 C ATOM 1334 C GLU A 84 9.209 -6.638 4.026 1.00 0.00 C ATOM 1335 O GLU A 84 8.183 -7.289 4.231 1.00 0.00 O ATOM 1336 CB GLU A 84 10.230 -5.314 5.891 1.00 0.00 C ATOM 1337 CG GLU A 84 10.996 -5.374 7.199 1.00 0.00 C ATOM 1338 CD GLU A 84 10.433 -6.409 8.153 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.908 -7.564 8.140 1.00 0.00 O ATOM 1340 OE2 GLU A 84 9.497 -6.079 8.913 1.00 0.00 O ATOM 0 H GLU A 84 12.258 -5.927 4.609 1.00 0.00 H new ATOM 0 HA GLU A 84 10.195 -7.449 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.608 -4.483 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.182 -5.103 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.042 -5.604 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.973 -4.394 7.676 1.00 0.00 H new ATOM 1347 N VAL A 85 9.411 -5.938 2.910 1.00 0.00 N ATOM 1348 CA VAL A 85 8.455 -5.954 1.808 1.00 0.00 C ATOM 1349 C VAL A 85 8.229 -7.374 1.292 1.00 0.00 C ATOM 1350 O VAL A 85 7.091 -7.834 1.198 1.00 0.00 O ATOM 1351 CB VAL A 85 8.929 -5.061 0.643 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.134 -5.354 -0.617 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.810 -3.594 1.019 1.00 0.00 C ATOM 0 H VAL A 85 10.230 -5.352 2.747 1.00 0.00 H new ATOM 0 HA VAL A 85 7.515 -5.562 2.198 1.00 0.00 H new ATOM 0 HB VAL A 85 9.977 -5.284 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.485 -4.713 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.269 -6.399 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.077 -5.161 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.148 -2.977 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.770 -3.360 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.426 -3.392 1.895 1.00 0.00 H new ATOM 1363 N LEU A 86 9.322 -8.063 0.973 1.00 0.00 N ATOM 1364 CA LEU A 86 9.265 -9.423 0.436 1.00 0.00 C ATOM 1365 C LEU A 86 8.548 -10.368 1.395 1.00 0.00 C ATOM 1366 O LEU A 86 7.918 -11.337 0.973 1.00 0.00 O ATOM 1367 CB LEU A 86 10.677 -9.934 0.171 1.00 0.00 C ATOM 1368 CG LEU A 86 11.418 -9.223 -0.953 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.897 -9.548 -0.888 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.842 -9.629 -2.300 1.00 0.00 C ATOM 0 H LEU A 86 10.269 -7.698 1.078 1.00 0.00 H new ATOM 0 HA LEU A 86 8.703 -9.394 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.260 -9.839 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.624 -10.997 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 86 11.293 -8.147 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.418 -9.035 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.300 -9.219 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.038 -10.624 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.380 -9.114 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.945 -10.706 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.787 -9.358 -2.341 1.00 0.00 H new ATOM 1382 N LYS A 87 8.645 -10.067 2.681 1.00 0.00 N ATOM 1383 CA LYS A 87 8.000 -10.863 3.719 1.00 0.00 C ATOM 1384 C LYS A 87 6.482 -10.698 3.656 1.00 0.00 C ATOM 1385 O LYS A 87 5.731 -11.533 4.156 1.00 0.00 O ATOM 1386 CB LYS A 87 8.524 -10.429 5.090 1.00 0.00 C ATOM 1387 CG LYS A 87 7.994 -11.252 6.248 1.00 0.00 C ATOM 1388 CD LYS A 87 8.509 -10.724 7.577 1.00 0.00 C ATOM 1389 CE LYS A 87 8.003 -9.318 7.861 1.00 0.00 C ATOM 1390 NZ LYS A 87 8.654 -8.730 9.059 1.00 0.00 N ATOM 0 H LYS A 87 9.170 -9.268 3.036 1.00 0.00 H new ATOM 0 HA LYS A 87 8.234 -11.915 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.612 -10.488 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.262 -9.383 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.904 -11.232 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.294 -12.293 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.196 -11.392 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.599 -10.723 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.191 -8.682 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.923 -9.343 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.247 -7.792 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.496 -9.350 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.675 -8.636 8.888 1.00 0.00 H new ATOM 1404 N CYS A 88 6.044 -9.623 3.025 1.00 0.00 N ATOM 1405 CA CYS A 88 4.623 -9.331 2.907 1.00 0.00 C ATOM 1406 C CYS A 88 4.121 -9.633 1.503 1.00 0.00 C ATOM 1407 O CYS A 88 2.913 -9.689 1.262 1.00 0.00 O ATOM 1408 CB CYS A 88 4.349 -7.876 3.278 1.00 0.00 C ATOM 1409 SG CYS A 88 4.190 -7.609 5.072 1.00 0.00 S ATOM 0 H CYS A 88 6.653 -8.934 2.584 1.00 0.00 H new ATOM 0 HA CYS A 88 4.082 -9.974 3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.157 -7.252 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.433 -7.549 2.786 1.00 0.00 H new ATOM 1414 N VAL A 89 5.053 -9.825 0.574 1.00 0.00 N ATOM 1415 CA VAL A 89 4.704 -10.213 -0.777 1.00 0.00 C ATOM 1416 C VAL A 89 4.186 -11.643 -0.779 1.00 0.00 C ATOM 1417 O VAL A 89 4.858 -12.561 -0.307 1.00 0.00 O ATOM 1418 CB VAL A 89 5.903 -10.094 -1.738 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.513 -10.576 -3.123 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.410 -8.661 -1.798 1.00 0.00 C ATOM 0 H VAL A 89 6.054 -9.717 0.738 1.00 0.00 H new ATOM 0 HA VAL A 89 3.929 -9.533 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 89 6.709 -10.723 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.368 -10.487 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.200 -11.619 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.691 -9.969 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.256 -8.603 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.612 -8.007 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.725 -8.345 -0.804 1.00 0.00 H new ATOM 1430 N ASP A 90 2.987 -11.820 -1.300 1.00 0.00 N ATOM 1431 CA ASP A 90 2.335 -13.118 -1.302 1.00 0.00 C ATOM 1432 C ASP A 90 1.587 -13.314 -2.615 1.00 0.00 C ATOM 1433 O ASP A 90 1.415 -12.363 -3.379 1.00 0.00 O ATOM 1434 CB ASP A 90 1.373 -13.212 -0.116 1.00 0.00 C ATOM 1435 CG ASP A 90 1.037 -14.642 0.254 1.00 0.00 C ATOM 1436 OD1 ASP A 90 -0.009 -15.152 -0.193 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.823 -15.266 0.999 1.00 0.00 O ATOM 0 H ASP A 90 2.440 -11.075 -1.731 1.00 0.00 H new ATOM 0 HA ASP A 90 3.084 -13.904 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.816 -12.713 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.454 -12.678 -0.356 1.00 0.00 H new ATOM 1442 N LYS A 91 1.143 -14.538 -2.869 1.00 0.00 N ATOM 1443 CA LYS A 91 0.490 -14.877 -4.128 1.00 0.00 C ATOM 1444 C LYS A 91 -1.010 -14.628 -4.044 1.00 0.00 C ATOM 1445 O LYS A 91 -1.607 -14.704 -2.968 1.00 0.00 O ATOM 1446 CB LYS A 91 0.747 -16.340 -4.491 1.00 0.00 C ATOM 1447 CG LYS A 91 2.204 -16.748 -4.371 1.00 0.00 C ATOM 1448 CD LYS A 91 3.098 -15.956 -5.316 1.00 0.00 C ATOM 1449 CE LYS A 91 2.730 -16.185 -6.774 1.00 0.00 C ATOM 1450 NZ LYS A 91 3.646 -15.468 -7.701 1.00 0.00 N ATOM 0 H LYS A 91 1.224 -15.317 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 91 0.911 -14.238 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.145 -16.978 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.412 -16.517 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.539 -16.599 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.301 -17.812 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.019 -14.894 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.138 -16.241 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.758 -17.253 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.707 -15.851 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.359 -15.652 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.601 -14.446 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.619 -15.804 -7.556 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.612 -14.346 -5.190 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.035 -14.029 -5.271 1.00 0.00 C ATOM 1466 C ASN A 92 -3.870 -15.308 -5.272 1.00 0.00 C ATOM 1467 O ASN A 92 -4.509 -15.660 -6.267 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.310 -13.203 -6.532 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.734 -12.682 -6.620 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.436 -12.560 -5.617 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.154 -12.340 -7.831 1.00 0.00 N ATOM 0 H ASN A 92 -1.131 -14.330 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.318 -13.442 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.621 -12.359 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.101 -13.815 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.092 -11.959 -7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.539 -12.458 -8.636 1.00 0.00 H new ATOM 1478 N THR A 93 -3.846 -16.003 -4.145 1.00 0.00 N ATOM 1479 CA THR A 93 -4.592 -17.241 -3.979 1.00 0.00 C ATOM 1480 C THR A 93 -6.068 -16.960 -3.722 1.00 0.00 C ATOM 1481 O THR A 93 -6.934 -17.776 -4.046 1.00 0.00 O ATOM 1482 CB THR A 93 -4.025 -18.069 -2.809 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.024 -17.284 -1.608 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.611 -18.533 -3.112 1.00 0.00 C ATOM 0 H THR A 93 -3.311 -15.726 -3.322 1.00 0.00 H new ATOM 0 HA THR A 93 -4.492 -17.808 -4.905 1.00 0.00 H new ATOM 0 HB THR A 93 -4.659 -18.945 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.664 -17.817 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.231 -19.115 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.615 -19.151 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.970 -17.666 -3.272 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.351 -15.793 -3.154 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.720 -15.418 -2.818 1.00 0.00 C ATOM 1494 C ASP A 94 -8.453 -14.893 -4.050 1.00 0.00 C ATOM 1495 O ASP A 94 -9.677 -14.755 -4.050 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.737 -14.379 -1.694 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.119 -13.058 -2.100 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -7.879 -12.086 -2.291 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -5.878 -12.983 -2.206 1.00 0.00 O ATOM 0 H ASP A 94 -5.651 -15.090 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.240 -16.309 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.767 -14.210 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.200 -14.775 -0.832 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.672 -14.613 -5.094 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.188 -14.318 -6.430 1.00 0.00 C ATOM 1506 C ASN A 95 -8.985 -13.009 -6.479 1.00 0.00 C ATOM 1507 O ASN A 95 -10.020 -12.919 -7.137 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.036 -15.495 -6.923 1.00 0.00 C ATOM 1509 CG ASN A 95 -9.447 -15.388 -8.379 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.735 -14.820 -9.208 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -10.599 -15.951 -8.699 1.00 0.00 N ATOM 0 H ASN A 95 -6.654 -14.585 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.334 -14.180 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.475 -16.419 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.932 -15.568 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.929 -15.925 -9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.158 -16.412 -7.981 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.503 -11.996 -5.777 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.068 -10.656 -5.892 1.00 0.00 C ATOM 1520 C ASN A 96 -7.958 -9.621 -5.796 1.00 0.00 C ATOM 1521 O ASN A 96 -7.359 -9.443 -4.742 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.133 -10.416 -4.813 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.615 -8.972 -4.772 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.579 -8.257 -5.774 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.093 -8.538 -3.617 1.00 0.00 N ATOM 0 H ASN A 96 -7.724 -12.073 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.555 -10.562 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.983 -11.073 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.725 -10.686 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.446 -7.585 -3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.108 -9.157 -2.806 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.696 -8.937 -6.903 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.564 -8.022 -6.995 1.00 0.00 C ATOM 1534 C ALA A 97 -6.708 -6.826 -6.055 1.00 0.00 C ATOM 1535 O ALA A 97 -5.707 -6.305 -5.562 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.364 -7.561 -8.429 1.00 0.00 C ATOM 0 H ALA A 97 -8.255 -8.999 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.678 -8.572 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.515 -6.879 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.172 -8.425 -9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.261 -7.048 -8.775 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.940 -6.387 -5.799 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.164 -5.330 -4.811 1.00 0.00 C ATOM 1544 C CYS A 98 -7.702 -5.801 -3.437 1.00 0.00 C ATOM 1545 O CYS A 98 -7.111 -5.042 -2.674 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.638 -4.917 -4.724 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.322 -4.173 -6.240 1.00 0.00 S ATOM 0 H CYS A 98 -8.784 -6.738 -6.252 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.588 -4.462 -5.134 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.231 -5.795 -4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.753 -4.207 -3.905 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.946 -7.069 -3.141 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.593 -7.625 -1.845 1.00 0.00 C ATOM 1554 C HIS A 99 -6.128 -8.041 -1.829 1.00 0.00 C ATOM 1555 O HIS A 99 -5.505 -8.108 -0.776 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.493 -8.815 -1.519 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.228 -9.435 -0.182 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.836 -10.741 -0.033 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.314 -8.925 1.068 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.689 -11.013 1.249 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -7.974 -9.927 1.941 1.00 0.00 N ATOM 0 H HIS A 99 -8.386 -7.731 -3.780 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.741 -6.860 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.533 -8.491 -1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.367 -9.574 -2.291 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.682 -11.400 -0.796 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.598 -7.916 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.387 -11.964 1.662 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.593 -8.321 -3.006 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.184 -8.672 -3.159 1.00 0.00 C ATOM 1572 C TRP A 100 -3.310 -7.487 -2.753 1.00 0.00 C ATOM 1573 O TRP A 100 -2.436 -7.607 -1.891 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.909 -9.081 -4.615 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.530 -9.619 -4.863 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.578 -9.923 -3.932 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.960 -9.936 -6.139 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.449 -10.394 -4.552 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.658 -10.415 -5.906 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.424 -9.857 -7.458 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.182 -10.817 -6.941 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.588 -10.256 -8.482 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.299 -10.730 -8.221 1.00 0.00 C ATOM 0 H TRP A 100 -6.117 -8.313 -3.881 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.944 -9.515 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.638 -9.836 -4.910 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.068 -8.215 -5.258 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.697 -9.809 -2.865 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.408 -10.682 -4.081 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.418 -9.491 -7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.178 -11.185 -6.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.936 -10.201 -9.503 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.330 -11.034 -9.045 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.577 -6.336 -3.363 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.867 -5.107 -3.038 1.00 0.00 C ATOM 1596 C ALA A 101 -3.122 -4.711 -1.590 1.00 0.00 C ATOM 1597 O ALA A 101 -2.226 -4.237 -0.891 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.300 -3.990 -3.977 1.00 0.00 C ATOM 0 H ALA A 101 -4.285 -6.231 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.798 -5.278 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.763 -3.075 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.075 -4.272 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.372 -3.822 -3.873 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.351 -4.933 -1.144 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.747 -4.595 0.212 1.00 0.00 C ATOM 1606 C PHE A 102 -4.040 -5.491 1.226 1.00 0.00 C ATOM 1607 O PHE A 102 -3.704 -5.056 2.324 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.262 -4.716 0.362 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.775 -4.320 1.722 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.832 -2.985 2.086 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.200 -5.277 2.632 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.301 -2.609 3.329 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.672 -4.906 3.878 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.721 -3.570 4.227 1.00 0.00 C ATOM 0 H PHE A 102 -5.093 -5.348 -1.707 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.453 -3.564 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.743 -4.093 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.556 -5.746 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.505 -2.228 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.162 -6.323 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.339 -1.564 3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.002 -5.660 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.087 -3.278 5.200 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.800 -6.738 0.839 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.184 -7.712 1.726 1.00 0.00 C ATOM 1626 C ARG A 103 -1.701 -7.403 1.899 1.00 0.00 C ATOM 1627 O ARG A 103 -1.153 -7.551 2.992 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.392 -9.130 1.188 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.915 -10.206 2.145 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.552 -11.561 1.864 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.644 -11.867 0.432 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.943 -12.826 -0.174 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.063 -13.546 0.512 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -3.142 -13.079 -1.459 1.00 0.00 N ATOM 0 H ARG A 103 -4.025 -7.098 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.661 -7.650 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.451 -9.281 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.863 -9.234 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.831 -10.296 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.144 -9.906 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.971 -12.339 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.551 -11.584 2.299 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.284 -11.311 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.921 -13.366 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.529 -14.279 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.831 -12.540 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.606 -13.812 -1.923 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.066 -6.951 0.822 1.00 0.00 N ATOM 1649 CA GLY A 104 0.321 -6.529 0.903 1.00 0.00 C ATOM 1650 C GLY A 104 0.476 -5.310 1.793 1.00 0.00 C ATOM 1651 O GLY A 104 1.374 -5.248 2.635 1.00 0.00 O ATOM 0 H GLY A 104 -1.486 -6.869 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.929 -7.345 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.693 -6.302 -0.096 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.427 -4.351 1.614 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.409 -3.116 2.384 1.00 0.00 C ATOM 1657 C PHE A 105 -0.670 -3.391 3.861 1.00 0.00 C ATOM 1658 O PHE A 105 0.080 -2.940 4.727 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.448 -2.141 1.815 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.694 -0.927 2.669 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.632 -0.177 3.151 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -2.987 -0.527 2.978 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.855 0.944 3.927 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.211 0.593 3.755 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.145 1.329 4.230 1.00 0.00 C ATOM 0 H PHE A 105 -1.186 -4.409 0.935 1.00 0.00 H new ATOM 0 HA PHE A 105 0.580 -2.664 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.120 -1.815 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.390 -2.672 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.380 -0.472 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.826 -1.097 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.019 1.519 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.221 0.893 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.320 2.205 4.838 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.718 -4.160 4.135 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.131 -4.454 5.505 1.00 0.00 C ATOM 1677 C LYS A 106 -1.039 -5.216 6.258 1.00 0.00 C ATOM 1678 O LYS A 106 -0.775 -4.944 7.429 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.453 -5.240 5.510 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.706 -6.010 6.793 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.940 -6.898 6.687 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.224 -7.616 7.999 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.327 -8.604 7.876 1.00 0.00 N ATOM 0 H LYS A 106 -2.302 -4.595 3.421 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.291 -3.508 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.277 -4.546 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.452 -5.938 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.836 -6.624 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.832 -5.309 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.802 -6.293 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.795 -7.631 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.320 -8.124 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.480 -6.883 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.551 -8.993 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.170 -8.137 7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.033 -9.375 7.243 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.401 -6.159 5.570 1.00 0.00 N ATOM 1698 CA CYS A 107 0.659 -6.968 6.164 1.00 0.00 C ATOM 1699 C CYS A 107 1.821 -6.101 6.630 1.00 0.00 C ATOM 1700 O CYS A 107 2.342 -6.278 7.736 1.00 0.00 O ATOM 1701 CB CYS A 107 1.152 -8.006 5.147 1.00 0.00 C ATOM 1702 SG CYS A 107 2.691 -8.869 5.627 1.00 0.00 S ATOM 0 H CYS A 107 -0.601 -6.382 4.595 1.00 0.00 H new ATOM 0 HA CYS A 107 0.250 -7.478 7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.368 -8.747 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.312 -7.510 4.190 1.00 0.00 H new ATOM 1707 N PHE A 108 2.209 -5.155 5.786 1.00 0.00 N ATOM 1708 CA PHE A 108 3.387 -4.345 6.030 1.00 0.00 C ATOM 1709 C PHE A 108 3.119 -3.306 7.114 1.00 0.00 C ATOM 1710 O PHE A 108 3.894 -3.175 8.061 1.00 0.00 O ATOM 1711 CB PHE A 108 3.816 -3.670 4.728 1.00 0.00 C ATOM 1712 CG PHE A 108 5.201 -3.088 4.763 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.424 -1.808 5.243 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.281 -3.825 4.304 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.696 -1.274 5.263 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.555 -3.295 4.325 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.763 -2.019 4.805 1.00 0.00 C ATOM 0 H PHE A 108 1.718 -4.931 4.920 1.00 0.00 H new ATOM 0 HA PHE A 108 4.193 -4.988 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.760 -4.398 3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.107 -2.877 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.593 -1.221 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.124 -4.824 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.856 -0.274 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.389 -3.879 3.966 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.760 -1.604 4.822 1.00 0.00 H new ATOM 1727 N GLN A 109 2.005 -2.592 6.986 1.00 0.00 N ATOM 1728 CA GLN A 109 1.643 -1.544 7.940 1.00 0.00 C ATOM 1729 C GLN A 109 1.378 -2.120 9.330 1.00 0.00 C ATOM 1730 O GLN A 109 1.410 -1.399 10.330 1.00 0.00 O ATOM 1731 CB GLN A 109 0.423 -0.765 7.435 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.860 -1.577 7.315 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.775 -1.420 8.511 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.700 -2.179 9.474 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.652 -0.437 8.456 1.00 0.00 N ATOM 0 H GLN A 109 1.334 -2.719 6.229 1.00 0.00 H new ATOM 0 HA GLN A 109 2.487 -0.859 8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.242 0.073 8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.660 -0.343 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.393 -1.272 6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.607 -2.630 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.684 0.173 7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.298 -0.286 9.230 1.00 0.00 H new ATOM 1744 N LYS A 110 1.122 -3.418 9.386 1.00 0.00 N ATOM 1745 CA LYS A 110 0.892 -4.105 10.643 1.00 0.00 C ATOM 1746 C LYS A 110 2.163 -4.109 11.489 1.00 0.00 C ATOM 1747 O LYS A 110 2.109 -4.081 12.717 1.00 0.00 O ATOM 1748 CB LYS A 110 0.441 -5.538 10.355 1.00 0.00 C ATOM 1749 CG LYS A 110 0.202 -6.377 11.594 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.269 -7.778 11.226 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.340 -8.699 12.437 1.00 0.00 C ATOM 1752 NZ LYS A 110 -0.714 -10.086 12.053 1.00 0.00 N ATOM 0 H LYS A 110 1.068 -4.020 8.565 1.00 0.00 H new ATOM 0 HA LYS A 110 0.114 -3.585 11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.477 -5.507 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.196 -6.027 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.121 -6.440 12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.543 -5.894 12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.252 -7.718 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.409 -8.205 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.625 -8.709 12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.069 -8.309 13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.752 -10.683 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.646 -10.079 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.005 -10.467 11.394 1.00 0.00 H new ATOM 1766 N ASN A 111 3.309 -4.115 10.820 1.00 0.00 N ATOM 1767 CA ASN A 111 4.589 -4.207 11.509 1.00 0.00 C ATOM 1768 C ASN A 111 5.391 -2.919 11.361 1.00 0.00 C ATOM 1769 O ASN A 111 6.099 -2.510 12.282 1.00 0.00 O ATOM 1770 CB ASN A 111 5.409 -5.378 10.960 1.00 0.00 C ATOM 1771 CG ASN A 111 4.672 -6.703 11.033 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.893 -6.947 11.954 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.901 -7.562 10.051 1.00 0.00 N ATOM 0 H ASN A 111 3.378 -4.057 9.804 1.00 0.00 H new ATOM 0 HA ASN A 111 4.381 -4.370 12.566 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.676 -5.173 9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.341 -5.456 11.519 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.424 -8.463 10.040 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.554 -7.322 9.305 1.00 0.00 H new ATOM 1780 N ASN A 112 5.264 -2.275 10.208 1.00 0.00 N ATOM 1781 CA ASN A 112 6.115 -1.141 9.866 1.00 0.00 C ATOM 1782 C ASN A 112 5.286 -0.001 9.283 1.00 0.00 C ATOM 1783 O ASN A 112 5.387 0.309 8.097 1.00 0.00 O ATOM 1784 CB ASN A 112 7.176 -1.575 8.847 1.00 0.00 C ATOM 1785 CG ASN A 112 8.073 -2.688 9.354 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.512 -2.679 10.504 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.321 -3.675 8.508 1.00 0.00 N ATOM 0 H ASN A 112 4.579 -2.518 9.492 1.00 0.00 H new ATOM 0 HA ASN A 112 6.602 -0.790 10.776 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.680 -1.905 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.790 -0.714 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.895 -4.466 8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.938 -3.645 7.563 1.00 0.00 H new ATOM 1794 N LEU A 113 4.465 0.621 10.117 1.00 0.00 N ATOM 1795 CA LEU A 113 3.589 1.694 9.659 1.00 0.00 C ATOM 1796 C LEU A 113 4.300 3.046 9.687 1.00 0.00 C ATOM 1797 O LEU A 113 4.054 3.905 8.838 1.00 0.00 O ATOM 1798 CB LEU A 113 2.311 1.747 10.500 1.00 0.00 C ATOM 1799 CG LEU A 113 1.392 2.933 10.217 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.869 2.873 8.792 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.241 2.956 11.208 1.00 0.00 C ATOM 0 H LEU A 113 4.386 0.404 11.110 1.00 0.00 H new ATOM 0 HA LEU A 113 3.318 1.478 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.750 0.827 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.590 1.768 11.554 1.00 0.00 H new ATOM 0 HG LEU A 113 1.966 3.852 10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.216 3.726 8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.707 2.901 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.309 1.949 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.406 3.807 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.332 2.033 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.634 3.045 12.221 1.00 0.00 H new ATOM 1813 N SER A 114 5.190 3.230 10.650 1.00 0.00 N ATOM 1814 CA SER A 114 5.908 4.494 10.783 1.00 0.00 C ATOM 1815 C SER A 114 6.834 4.722 9.593 1.00 0.00 C ATOM 1816 O SER A 114 7.061 5.860 9.182 1.00 0.00 O ATOM 1817 CB SER A 114 6.689 4.526 12.094 1.00 0.00 C ATOM 1818 OG SER A 114 5.815 4.341 13.196 1.00 0.00 O ATOM 0 H SER A 114 5.433 2.527 11.348 1.00 0.00 H new ATOM 0 HA SER A 114 5.178 5.303 10.798 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.450 3.745 12.090 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.210 5.479 12.191 1.00 0.00 H new ATOM 0 HG SER A 114 6.330 4.362 14.029 1.00 0.00 H new ATOM 1824 N LEU A 115 7.348 3.634 9.031 1.00 0.00 N ATOM 1825 CA LEU A 115 8.158 3.706 7.826 1.00 0.00 C ATOM 1826 C LEU A 115 7.316 4.230 6.669 1.00 0.00 C ATOM 1827 O LEU A 115 7.793 4.987 5.823 1.00 0.00 O ATOM 1828 CB LEU A 115 8.716 2.326 7.485 1.00 0.00 C ATOM 1829 CG LEU A 115 9.641 2.277 6.272 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.885 3.102 6.533 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.016 0.843 5.941 1.00 0.00 C ATOM 0 H LEU A 115 7.216 2.690 9.394 1.00 0.00 H new ATOM 0 HA LEU A 115 8.991 4.388 7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.259 1.948 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.881 1.647 7.312 1.00 0.00 H new ATOM 0 HG LEU A 115 9.113 2.697 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.539 3.061 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.602 4.137 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.411 2.703 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.676 0.830 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.528 0.395 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.114 0.273 5.719 1.00 0.00 H new ATOM 1843 N ILE A 116 6.048 3.840 6.662 1.00 0.00 N ATOM 1844 CA ILE A 116 5.117 4.262 5.633 1.00 0.00 C ATOM 1845 C ILE A 116 4.847 5.761 5.751 1.00 0.00 C ATOM 1846 O ILE A 116 4.825 6.481 4.753 1.00 0.00 O ATOM 1847 CB ILE A 116 3.789 3.476 5.727 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.055 1.972 5.595 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.813 3.940 4.656 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.802 1.128 5.641 1.00 0.00 C ATOM 0 H ILE A 116 5.641 3.225 7.367 1.00 0.00 H new ATOM 0 HA ILE A 116 5.568 4.054 4.663 1.00 0.00 H new ATOM 0 HB ILE A 116 3.341 3.668 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.574 1.785 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.724 1.658 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.885 3.374 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.604 5.001 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.250 3.777 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.068 0.076 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.292 1.285 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.141 1.414 4.823 1.00 0.00 H new ATOM 1862 N LYS A 117 4.681 6.228 6.982 1.00 0.00 N ATOM 1863 CA LYS A 117 4.454 7.644 7.241 1.00 0.00 C ATOM 1864 C LYS A 117 5.676 8.469 6.842 1.00 0.00 C ATOM 1865 O LYS A 117 5.549 9.557 6.278 1.00 0.00 O ATOM 1866 CB LYS A 117 4.141 7.874 8.722 1.00 0.00 C ATOM 1867 CG LYS A 117 2.794 7.311 9.163 1.00 0.00 C ATOM 1868 CD LYS A 117 2.555 7.523 10.654 1.00 0.00 C ATOM 1869 CE LYS A 117 1.206 6.975 11.097 1.00 0.00 C ATOM 1870 NZ LYS A 117 1.059 6.995 12.577 1.00 0.00 N ATOM 0 H LYS A 117 4.699 5.645 7.819 1.00 0.00 H new ATOM 0 HA LYS A 117 3.601 7.963 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.928 7.421 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.161 8.945 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.996 7.789 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.753 6.246 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.348 7.036 11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.607 8.588 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.408 7.564 10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.092 5.953 10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.127 6.614 12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.805 6.412 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.142 7.973 12.921 1.00 0.00 H new ATOM 1884 N ALA A 118 6.856 7.939 7.134 1.00 0.00 N ATOM 1885 CA ALA A 118 8.108 8.627 6.852 1.00 0.00 C ATOM 1886 C ALA A 118 8.433 8.641 5.363 1.00 0.00 C ATOM 1887 O ALA A 118 9.025 9.599 4.863 1.00 0.00 O ATOM 1888 CB ALA A 118 9.233 7.967 7.621 1.00 0.00 C ATOM 0 H ALA A 118 6.972 7.025 7.571 1.00 0.00 H new ATOM 0 HA ALA A 118 7.997 9.664 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.170 8.483 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.023 8.019 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.317 6.923 7.319 1.00 0.00 H new ATOM 1894 N SER A 119 8.056 7.581 4.662 1.00 0.00 N ATOM 1895 CA SER A 119 8.366 7.453 3.243 1.00 0.00 C ATOM 1896 C SER A 119 7.715 8.568 2.422 1.00 0.00 C ATOM 1897 O SER A 119 8.317 9.091 1.483 1.00 0.00 O ATOM 1898 CB SER A 119 7.927 6.081 2.718 1.00 0.00 C ATOM 1899 OG SER A 119 6.518 5.928 2.756 1.00 0.00 O ATOM 0 H SER A 119 7.535 6.796 5.052 1.00 0.00 H new ATOM 0 HA SER A 119 9.447 7.545 3.133 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.279 5.954 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.394 5.297 3.315 1.00 0.00 H new ATOM 0 HG SER A 119 6.185 6.186 3.641 1.00 0.00 H new ATOM 1905 N ILE A 120 6.493 8.939 2.792 1.00 0.00 N ATOM 1906 CA ILE A 120 5.762 9.978 2.079 1.00 0.00 C ATOM 1907 C ILE A 120 6.005 11.349 2.701 1.00 0.00 C ATOM 1908 O ILE A 120 5.447 12.355 2.256 1.00 0.00 O ATOM 1909 CB ILE A 120 4.243 9.699 2.062 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.696 9.598 3.485 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.950 8.427 1.290 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.188 9.667 3.554 1.00 0.00 C ATOM 0 H ILE A 120 5.989 8.535 3.582 1.00 0.00 H new ATOM 0 HA ILE A 120 6.135 9.972 1.055 1.00 0.00 H new ATOM 0 HB ILE A 120 3.746 10.532 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.030 8.660 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.117 10.404 4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.876 8.243 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.303 8.534 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.460 7.588 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.867 9.589 4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.848 10.616 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.760 8.846 2.980 1.00 0.00 H new ATOM 1924 N LYS A 121 6.828 11.387 3.735 1.00 0.00 N ATOM 1925 CA LYS A 121 7.134 12.632 4.409 1.00 0.00 C ATOM 1926 C LYS A 121 8.346 13.303 3.777 1.00 0.00 C ATOM 1927 O LYS A 121 9.422 12.708 3.685 1.00 0.00 O ATOM 1928 CB LYS A 121 7.386 12.385 5.894 1.00 0.00 C ATOM 1929 CG LYS A 121 7.647 13.662 6.678 1.00 0.00 C ATOM 1930 CD LYS A 121 7.874 13.385 8.156 1.00 0.00 C ATOM 1931 CE LYS A 121 6.619 12.852 8.826 1.00 0.00 C ATOM 1932 NZ LYS A 121 5.469 13.786 8.681 1.00 0.00 N ATOM 0 H LYS A 121 7.295 10.568 4.124 1.00 0.00 H new ATOM 0 HA LYS A 121 6.276 13.296 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.524 11.873 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.240 11.717 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.519 14.169 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.800 14.339 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.683 12.663 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.191 14.301 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.359 11.887 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.817 12.683 9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.719 13.520 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.783 14.757 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.100 13.734 7.710 1.00 0.00 H new ATOM 1946 N LYS A 122 8.162 14.537 3.344 1.00 0.00 N ATOM 1947 CA LYS A 122 9.243 15.311 2.749 1.00 0.00 C ATOM 1948 C LYS A 122 10.206 15.769 3.837 1.00 0.00 C ATOM 1949 O LYS A 122 9.790 16.098 4.951 1.00 0.00 O ATOM 1950 CB LYS A 122 8.695 16.523 1.986 1.00 0.00 C ATOM 1951 CG LYS A 122 7.230 16.405 1.594 1.00 0.00 C ATOM 1952 CD LYS A 122 6.771 17.591 0.762 1.00 0.00 C ATOM 1953 CE LYS A 122 6.726 18.871 1.581 1.00 0.00 C ATOM 1954 NZ LYS A 122 6.269 20.029 0.771 1.00 0.00 N ATOM 0 H LYS A 122 7.270 15.029 3.393 1.00 0.00 H new ATOM 0 HA LYS A 122 9.773 14.676 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.824 17.414 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.290 16.669 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.078 15.485 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.618 16.333 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.445 17.724 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.782 17.387 0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.057 18.735 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.717 19.079 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.532 20.547 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.073 20.662 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.882 19.689 -0.132 1.00 0.00 H new ATOM 1968 N ASP A 123 11.491 15.760 3.515 1.00 0.00 N ATOM 1969 CA ASP A 123 12.524 16.143 4.467 1.00 0.00 C ATOM 1970 C ASP A 123 12.442 17.632 4.785 1.00 0.00 C ATOM 1971 O ASP A 123 12.285 18.443 3.848 1.00 0.00 O ATOM 1972 CB ASP A 123 13.921 15.774 3.945 1.00 0.00 C ATOM 1973 CG ASP A 123 14.335 16.561 2.715 1.00 0.00 C ATOM 1974 OD1 ASP A 123 15.192 17.462 2.843 1.00 0.00 O ATOM 1975 OD2 ASP A 123 13.823 16.267 1.612 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.535 17.986 5.978 1.00 0.00 O ATOM 0 H ASP A 123 11.845 15.490 2.597 1.00 0.00 H new ATOM 0 HA ASP A 123 12.352 15.587 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.652 15.941 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.943 14.710 3.710 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.488 6.495 2.222 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.724 5.238 1.909 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.754 5.517 0.768 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.970 4.268 0.383 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.294 3.703 1.603 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.112 4.143 1.950 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.505 5.290 1.196 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.775 5.731 1.864 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.913 5.164 1.556 1.00 0.00 C HETATM 1991 C10 ACD A 201 2.967 4.113 0.480 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.356 3.537 0.407 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.532 2.251 0.247 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.355 1.344 0.026 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.892 0.821 1.356 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.840 -0.468 1.574 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.349 -1.433 0.531 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.559 -2.807 1.158 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.798 -3.876 0.095 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.049 -5.234 0.750 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.171 -6.338 -0.294 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.436 7.431 1.410 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.151 6.552 3.271 1.00 0.00 O HETATM 0 H203 ACD A 201 3.248 -6.397 -0.871 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.003 -6.116 -0.962 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.349 -7.291 0.204 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.961 -5.190 1.345 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.233 -5.466 1.435 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.934 -3.939 -0.567 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.653 -3.599 -0.522 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.410 -2.772 1.838 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.686 -3.074 1.754 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.637 -1.503 -0.291 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.286 -1.068 0.111 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.549 1.886 -0.468 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.632 0.518 -0.629 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.246 3.324 0.692 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.691 4.547 -0.481 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.824 5.453 2.080 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.749 6.527 2.609 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.712 4.989 0.169 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.197 6.123 1.149 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.423 3.682 2.780 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.787 2.931 2.194 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.639 3.525 -0.052 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.228 4.512 -0.377 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.305 5.883 -0.098 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.062 6.306 1.062 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.180 4.899 2.791 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.412 4.439 1.632 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.429 -0.846 2.510 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.599 1.517 2.142 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.539 1.835 0.274 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.220 4.196 0.488 1.00 0.00 H new