USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 HIS : no HD1:sc= -0.436 X(o=-0.66,f=-0.21) USER MOD Set 1.2: A 131 HIS : no HD1:sc= -0.22 X(o=-0.66,f=-0.76) USER MOD Set 2.1: A 79 LYS NZ :NH3+ -179:sc= -3.33! (180deg=-3.38!) USER MOD Set 2.2: A 80 THR OG1 : rot -110:sc= 0.0994 USER MOD Set 2.3: A 86 SER OG : rot 172:sc= 0.103 USER MOD Set 3.1: A 40 SER OG : rot 39:sc= 0.737 USER MOD Set 3.2: A 42 SER OG : rot 100:sc= 0.804 USER MOD Set 4.1: A 17 THR OG1 : rot 40:sc= 0.393 USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -175:sc= 0 (180deg=-0.0278) USER MOD Single : A 1 ASN :FLIP amide:sc= -2.52 F(o=-7.4!,f=-2.5) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 82:sc= 0.426 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.0132 (180deg=-0.144) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0866 USER MOD Single : A 27 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 THR OG1 : rot -9:sc= 0.983 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 30:sc= -0.517 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 37 TYR OH : rot 63:sc= -2.06! USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.517 F(o=-3.6!,f=-0.52) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -6.66 K(o=-6.7,f=-13!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0988 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0.526 (180deg=0.488) USER MOD Single : A 67 HIS : no HE2:sc= -4.15! C(o=-4.2!,f=-10!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.752 F(o=-4.6!,f=-0.75) USER MOD Single : A 75 GLN : amide:sc= -0.0839 K(o=-0.084,f=-0.66) USER MOD Single : A 83 SER OG : rot -76:sc= 0.388 USER MOD Single : A 87 GLN : amide:sc= -4.29! C(o=-4.3!,f=-4.6!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 7:sc= 1.84 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -114:sc= -1.27! USER MOD Single : A 109 GLN :FLIP amide:sc= -1.23 F(o=-3.3!,f=-1.2) USER MOD Single : A 116 SER OG : rot 96:sc= 1.14 USER MOD Single : A 117 HIS : no HE2:sc= -1.89 X(o=-1.9,f=-1.8) USER MOD Single : A 121 GLN : amide:sc= -0.196 K(o=-0.2,f=-3.3!) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.049) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 132 HIS : no HD1:sc=-0.00376 X(o=-0.0038,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 35.737 -1.587 0.093 1.00 0.00 N ATOM 2 CA MET A 0 34.961 -2.021 -1.098 1.00 0.00 C ATOM 3 C MET A 0 33.950 -0.957 -1.507 1.00 0.00 C ATOM 4 O MET A 0 34.073 -0.346 -2.569 1.00 0.00 O ATOM 5 CB MET A 0 34.240 -3.338 -0.807 1.00 0.00 C ATOM 6 CG MET A 0 35.182 -4.517 -0.618 1.00 0.00 C ATOM 7 SD MET A 0 36.245 -4.791 -2.048 1.00 0.00 S ATOM 8 CE MET A 0 37.186 -6.214 -1.503 1.00 0.00 C ATOM 0 H1 MET A 0 36.475 -2.289 0.301 1.00 0.00 H new ATOM 0 H2 MET A 0 36.180 -0.665 -0.098 1.00 0.00 H new ATOM 0 H3 MET A 0 35.100 -1.502 0.911 1.00 0.00 H new ATOM 0 HA MET A 0 35.659 -2.168 -1.922 1.00 0.00 H new ATOM 0 HB2 MET A 0 33.634 -3.220 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 0 33.556 -3.557 -1.627 1.00 0.00 H new ATOM 0 HG2 MET A 0 35.801 -4.345 0.263 1.00 0.00 H new ATOM 0 HG3 MET A 0 34.598 -5.417 -0.426 1.00 0.00 H new ATOM 0 HE1 MET A 0 37.890 -6.505 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 0 37.734 -5.962 -0.595 1.00 0.00 H new ATOM 0 HE3 MET A 0 36.508 -7.043 -1.299 1.00 0.00 H new ATOM 20 N ASN A 1 32.948 -0.744 -0.656 1.00 0.00 N ATOM 21 CA ASN A 1 31.909 0.249 -0.913 1.00 0.00 C ATOM 22 C ASN A 1 31.063 -0.120 -2.127 1.00 0.00 C ATOM 23 O ASN A 1 31.506 -0.854 -3.012 1.00 0.00 O ATOM 24 CB ASN A 1 32.526 1.634 -1.116 1.00 0.00 C ATOM 25 CG ASN A 1 32.444 2.486 0.133 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.284 3.091 0.354 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.406 2.591 0.894 1.00 0.00 N flip ATOM 0 H ASN A 1 32.834 -1.250 0.222 1.00 0.00 H new ATOM 0 HA ASN A 1 31.258 0.268 -0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.570 1.525 -1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 1 32.014 2.141 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 1 34.279 2.107 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.330 3.162 1.736 1.00 0.00 H new ATOM 34 N CYS A 2 29.838 0.398 -2.157 1.00 0.00 N ATOM 35 CA CYS A 2 28.921 0.140 -3.260 1.00 0.00 C ATOM 36 C CYS A 2 28.800 1.369 -4.155 1.00 0.00 C ATOM 37 O CYS A 2 29.319 2.436 -3.827 1.00 0.00 O ATOM 38 CB CYS A 2 27.544 -0.262 -2.731 1.00 0.00 C ATOM 39 SG CYS A 2 27.459 -1.968 -2.095 1.00 0.00 S ATOM 0 H CYS A 2 29.458 1.001 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 2 29.322 -0.684 -3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 2 27.258 0.426 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.812 -0.147 -3.530 1.00 0.00 H new ATOM 44 N GLY A 3 28.114 1.218 -5.281 1.00 0.00 N ATOM 45 CA GLY A 3 27.913 2.347 -6.172 1.00 0.00 C ATOM 46 C GLY A 3 26.778 3.236 -5.697 1.00 0.00 C ATOM 47 O GLY A 3 26.042 2.857 -4.787 1.00 0.00 O ATOM 0 H GLY A 3 27.696 0.341 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.832 2.930 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.696 1.985 -7.177 1.00 0.00 H new ATOM 51 N PRO A 4 26.611 4.434 -6.287 1.00 0.00 N ATOM 52 CA PRO A 4 25.541 5.358 -5.901 1.00 0.00 C ATOM 53 C PRO A 4 24.189 4.656 -5.782 1.00 0.00 C ATOM 54 O PRO A 4 23.754 3.973 -6.710 1.00 0.00 O ATOM 55 CB PRO A 4 25.533 6.375 -7.041 1.00 0.00 C ATOM 56 CG PRO A 4 26.942 6.393 -7.524 1.00 0.00 C ATOM 57 CD PRO A 4 27.450 4.984 -7.371 1.00 0.00 C ATOM 0 HA PRO A 4 25.709 5.804 -4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.844 6.080 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.218 7.359 -6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.994 6.716 -8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.545 7.091 -6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.339 4.414 -8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.508 4.964 -7.110 1.00 0.00 H new ATOM 65 N PRO A 5 23.511 4.820 -4.630 1.00 0.00 N ATOM 66 CA PRO A 5 22.211 4.191 -4.369 1.00 0.00 C ATOM 67 C PRO A 5 21.224 4.332 -5.527 1.00 0.00 C ATOM 68 O PRO A 5 20.668 5.406 -5.754 1.00 0.00 O ATOM 69 CB PRO A 5 21.702 4.943 -3.140 1.00 0.00 C ATOM 70 CG PRO A 5 22.939 5.361 -2.424 1.00 0.00 C ATOM 71 CD PRO A 5 23.963 5.641 -3.490 1.00 0.00 C ATOM 0 HA PRO A 5 22.310 3.115 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 5 21.097 5.804 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.077 4.306 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.757 6.247 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.283 4.577 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.995 6.700 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.965 5.361 -3.167 1.00 0.00 H new ATOM 79 N PRO A 6 21.003 3.237 -6.278 1.00 0.00 N ATOM 80 CA PRO A 6 20.070 3.222 -7.411 1.00 0.00 C ATOM 81 C PRO A 6 18.636 3.513 -6.982 1.00 0.00 C ATOM 82 O PRO A 6 18.359 3.958 -5.868 1.00 0.00 O ATOM 83 CB PRO A 6 20.169 1.788 -7.950 1.00 0.00 C ATOM 84 CG PRO A 6 20.774 0.989 -6.846 1.00 0.00 C ATOM 85 CD PRO A 6 21.658 1.934 -6.089 1.00 0.00 C ATOM 0 HA PRO A 6 20.321 3.988 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 6 19.186 1.402 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.786 1.748 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 6 20.003 0.572 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 6 21.347 0.150 -7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.723 1.666 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.675 1.935 -6.481 1.00 0.00 H new ATOM 93 N THR A 7 17.741 3.238 -7.927 1.00 0.00 N ATOM 94 CA THR A 7 16.315 3.475 -7.740 1.00 0.00 C ATOM 95 C THR A 7 15.576 2.184 -7.421 1.00 0.00 C ATOM 96 O THR A 7 15.796 1.156 -8.063 1.00 0.00 O ATOM 97 CB THR A 7 15.688 4.103 -8.998 1.00 0.00 C ATOM 98 OG1 THR A 7 16.327 5.350 -9.295 1.00 0.00 O ATOM 99 CG2 THR A 7 14.194 4.327 -8.803 1.00 0.00 C ATOM 0 H THR A 7 17.983 2.847 -8.838 1.00 0.00 H new ATOM 0 HA THR A 7 16.218 4.163 -6.900 1.00 0.00 H new ATOM 0 HB THR A 7 15.832 3.415 -9.831 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.923 5.742 -10.097 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.772 4.771 -9.704 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.706 3.373 -8.606 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.034 4.997 -7.959 1.00 0.00 H new ATOM 107 N LEU A 8 14.701 2.240 -6.426 1.00 0.00 N ATOM 108 CA LEU A 8 13.923 1.084 -6.035 1.00 0.00 C ATOM 109 C LEU A 8 12.544 1.083 -6.688 1.00 0.00 C ATOM 110 O LEU A 8 12.148 2.050 -7.339 1.00 0.00 O ATOM 111 CB LEU A 8 13.790 1.071 -4.525 1.00 0.00 C ATOM 112 CG LEU A 8 15.061 0.672 -3.779 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.235 -0.838 -3.793 1.00 0.00 C ATOM 114 CD2 LEU A 8 16.295 1.352 -4.356 1.00 0.00 C ATOM 0 H LEU A 8 14.516 3.079 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 8 14.439 0.186 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.485 2.063 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.991 0.382 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 8 14.952 1.008 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.146 -1.104 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.379 -1.307 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.305 -1.187 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.177 1.041 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.411 1.069 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.182 2.434 -4.283 1.00 0.00 H new ATOM 126 N SER A 9 11.823 -0.013 -6.499 1.00 0.00 N ATOM 127 CA SER A 9 10.484 -0.138 -7.061 1.00 0.00 C ATOM 128 C SER A 9 9.444 -0.334 -5.968 1.00 0.00 C ATOM 129 O SER A 9 8.434 0.367 -5.934 1.00 0.00 O ATOM 130 CB SER A 9 10.423 -1.294 -8.061 1.00 0.00 C ATOM 131 OG SER A 9 10.997 -2.471 -7.522 1.00 0.00 O ATOM 0 H SER A 9 12.139 -0.823 -5.965 1.00 0.00 H new ATOM 0 HA SER A 9 10.257 0.791 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.386 -1.486 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.949 -1.016 -8.974 1.00 0.00 H new ATOM 0 HG SER A 9 10.338 -2.928 -6.959 1.00 0.00 H new ATOM 137 N PHE A 10 9.696 -1.284 -5.073 1.00 0.00 N ATOM 138 CA PHE A 10 8.769 -1.555 -3.984 1.00 0.00 C ATOM 139 C PHE A 10 8.851 -0.466 -2.923 1.00 0.00 C ATOM 140 O PHE A 10 8.140 -0.504 -1.920 1.00 0.00 O ATOM 141 CB PHE A 10 9.047 -2.920 -3.355 1.00 0.00 C ATOM 142 CG PHE A 10 9.214 -4.020 -4.364 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.449 -4.265 -4.941 1.00 0.00 C ATOM 144 CD2 PHE A 10 8.135 -4.805 -4.735 1.00 0.00 C ATOM 145 CE1 PHE A 10 10.605 -5.274 -5.872 1.00 0.00 C ATOM 146 CE2 PHE A 10 8.284 -5.815 -5.666 1.00 0.00 C ATOM 147 CZ PHE A 10 9.521 -6.050 -6.236 1.00 0.00 C ATOM 0 H PHE A 10 10.528 -1.874 -5.081 1.00 0.00 H new ATOM 0 HA PHE A 10 7.762 -1.565 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.950 -2.855 -2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.228 -3.175 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.299 -3.661 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.167 -4.626 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.573 -5.456 -6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.435 -6.420 -5.948 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.640 -6.838 -6.964 1.00 0.00 H new ATOM 157 N ALA A 11 9.733 0.502 -3.142 1.00 0.00 N ATOM 158 CA ALA A 11 9.894 1.602 -2.203 1.00 0.00 C ATOM 159 C ALA A 11 10.214 2.909 -2.916 1.00 0.00 C ATOM 160 O ALA A 11 10.039 3.057 -4.127 1.00 0.00 O ATOM 161 CB ALA A 11 10.984 1.274 -1.195 1.00 0.00 C ATOM 0 H ALA A 11 10.344 0.547 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 11 8.947 1.734 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.096 2.104 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.712 0.372 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.926 1.110 -1.718 1.00 0.00 H new ATOM 167 N ALA A 12 10.687 3.848 -2.108 1.00 0.00 N ATOM 168 CA ALA A 12 11.023 5.179 -2.589 1.00 0.00 C ATOM 169 C ALA A 12 11.867 5.907 -1.549 1.00 0.00 C ATOM 170 O ALA A 12 11.615 5.788 -0.354 1.00 0.00 O ATOM 171 CB ALA A 12 9.763 5.968 -2.912 1.00 0.00 C ATOM 0 H ALA A 12 10.847 3.710 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 12 11.603 5.086 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.037 6.960 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.196 5.448 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.152 6.062 -2.014 1.00 0.00 H new ATOM 177 N PRO A 13 12.882 6.669 -1.987 1.00 0.00 N ATOM 178 CA PRO A 13 13.767 7.403 -1.075 1.00 0.00 C ATOM 179 C PRO A 13 12.995 8.136 0.017 1.00 0.00 C ATOM 180 O PRO A 13 11.945 8.727 -0.238 1.00 0.00 O ATOM 181 CB PRO A 13 14.463 8.399 -2.001 1.00 0.00 C ATOM 182 CG PRO A 13 14.492 7.720 -3.328 1.00 0.00 C ATOM 183 CD PRO A 13 13.237 6.890 -3.402 1.00 0.00 C ATOM 0 HA PRO A 13 14.450 6.742 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.919 9.342 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.469 8.629 -1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.525 8.449 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.379 7.094 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.443 7.411 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.409 5.949 -3.924 1.00 0.00 H new ATOM 191 N MET A 14 13.525 8.090 1.240 1.00 0.00 N ATOM 192 CA MET A 14 12.875 8.749 2.367 1.00 0.00 C ATOM 193 C MET A 14 13.850 9.622 3.151 1.00 0.00 C ATOM 194 O MET A 14 13.441 10.429 3.986 1.00 0.00 O ATOM 195 CB MET A 14 12.244 7.713 3.300 1.00 0.00 C ATOM 196 CG MET A 14 11.304 8.321 4.330 1.00 0.00 C ATOM 197 SD MET A 14 10.667 7.106 5.499 1.00 0.00 S ATOM 198 CE MET A 14 9.618 8.139 6.519 1.00 0.00 C ATOM 0 H MET A 14 14.394 7.608 1.471 1.00 0.00 H new ATOM 0 HA MET A 14 12.096 9.394 1.961 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.695 6.984 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.036 7.170 3.817 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.829 9.104 4.877 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.469 8.797 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.150 7.531 7.293 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.219 8.920 6.985 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.846 8.596 5.901 1.00 0.00 H new ATOM 208 N ASP A 15 15.140 9.457 2.875 1.00 0.00 N ATOM 209 CA ASP A 15 16.169 10.233 3.555 1.00 0.00 C ATOM 210 C ASP A 15 17.490 10.183 2.790 1.00 0.00 C ATOM 211 O ASP A 15 17.617 10.794 1.730 1.00 0.00 O ATOM 212 CB ASP A 15 16.358 9.723 4.986 1.00 0.00 C ATOM 213 CG ASP A 15 17.173 10.676 5.838 1.00 0.00 C ATOM 214 OD1 ASP A 15 16.622 11.713 6.264 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.364 10.386 6.079 1.00 0.00 O ATOM 0 H ASP A 15 15.496 8.794 2.186 1.00 0.00 H new ATOM 0 HA ASP A 15 15.843 11.272 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.382 9.573 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.851 8.751 4.960 1.00 0.00 H new ATOM 220 N ILE A 16 18.462 9.447 3.334 1.00 0.00 N ATOM 221 CA ILE A 16 19.783 9.307 2.722 1.00 0.00 C ATOM 222 C ILE A 16 20.236 10.598 2.068 1.00 0.00 C ATOM 223 O ILE A 16 20.029 10.812 0.873 1.00 0.00 O ATOM 224 CB ILE A 16 19.851 8.159 1.685 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.164 8.219 0.901 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.663 8.198 0.737 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.459 6.959 0.118 1.00 0.00 C ATOM 0 H ILE A 16 18.355 8.933 4.209 1.00 0.00 H new ATOM 0 HA ILE A 16 20.457 9.060 3.542 1.00 0.00 H new ATOM 0 HB ILE A 16 19.813 7.216 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.129 9.064 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.984 8.406 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.741 7.379 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.739 8.095 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.656 9.148 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.404 7.073 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.527 6.113 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.659 6.781 -0.601 1.00 0.00 H new ATOM 239 N THR A 17 20.830 11.472 2.862 1.00 0.00 N ATOM 240 CA THR A 17 21.336 12.727 2.338 1.00 0.00 C ATOM 241 C THR A 17 22.218 12.444 1.137 1.00 0.00 C ATOM 242 O THR A 17 23.228 11.750 1.250 1.00 0.00 O ATOM 243 CB THR A 17 22.146 13.505 3.386 1.00 0.00 C ATOM 244 OG1 THR A 17 23.185 12.675 3.918 1.00 0.00 O ATOM 245 CG2 THR A 17 21.249 13.991 4.515 1.00 0.00 C ATOM 0 H THR A 17 20.973 11.337 3.863 1.00 0.00 H new ATOM 0 HA THR A 17 20.481 13.340 2.055 1.00 0.00 H new ATOM 0 HB THR A 17 22.589 14.373 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.580 12.143 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.846 14.539 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.478 14.647 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.779 13.136 5.000 1.00 0.00 H new ATOM 253 N LEU A 18 21.834 12.974 -0.012 1.00 0.00 N ATOM 254 CA LEU A 18 22.582 12.743 -1.227 1.00 0.00 C ATOM 255 C LEU A 18 23.830 13.615 -1.293 1.00 0.00 C ATOM 256 O LEU A 18 24.230 14.066 -2.367 1.00 0.00 O ATOM 257 CB LEU A 18 21.697 12.994 -2.445 1.00 0.00 C ATOM 258 CG LEU A 18 21.037 11.744 -3.026 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.091 10.702 -3.369 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.025 11.173 -2.044 1.00 0.00 C ATOM 0 H LEU A 18 21.010 13.565 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 18 22.905 11.702 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.918 13.705 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.298 13.465 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 18 20.512 12.021 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.607 9.817 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.783 11.113 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.639 10.428 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.564 10.283 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.529 10.908 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.256 11.918 -1.840 1.00 0.00 H new ATOM 272 N THR A 19 24.444 13.839 -0.141 1.00 0.00 N ATOM 273 CA THR A 19 25.651 14.651 -0.065 1.00 0.00 C ATOM 274 C THR A 19 26.888 13.772 -0.198 1.00 0.00 C ATOM 275 O THR A 19 28.014 14.226 0.006 1.00 0.00 O ATOM 276 CB THR A 19 25.721 15.428 1.264 1.00 0.00 C ATOM 277 OG1 THR A 19 26.003 14.531 2.345 1.00 0.00 O ATOM 278 CG2 THR A 19 24.411 16.153 1.532 1.00 0.00 C ATOM 0 H THR A 19 24.127 13.470 0.755 1.00 0.00 H new ATOM 0 HA THR A 19 25.618 15.367 -0.886 1.00 0.00 H new ATOM 0 HB THR A 19 26.521 16.164 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.047 15.034 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.482 16.695 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.212 16.856 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.599 15.428 1.590 1.00 0.00 H new ATOM 286 N GLU A 20 26.663 12.509 -0.547 1.00 0.00 N ATOM 287 CA GLU A 20 27.747 11.550 -0.706 1.00 0.00 C ATOM 288 C GLU A 20 27.675 10.855 -2.063 1.00 0.00 C ATOM 289 O GLU A 20 26.884 11.233 -2.928 1.00 0.00 O ATOM 290 CB GLU A 20 27.696 10.509 0.413 1.00 0.00 C ATOM 291 CG GLU A 20 28.162 11.039 1.758 1.00 0.00 C ATOM 292 CD GLU A 20 28.113 9.985 2.846 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.060 9.175 2.933 1.00 0.00 O ATOM 294 OE2 GLU A 20 27.126 9.967 3.612 1.00 0.00 O ATOM 0 H GLU A 20 25.735 12.126 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 20 28.689 12.095 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.674 10.142 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.315 9.657 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.182 11.412 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.538 11.885 2.048 1.00 0.00 H new ATOM 301 N THR A 21 28.510 9.835 -2.236 1.00 0.00 N ATOM 302 CA THR A 21 28.554 9.074 -3.480 1.00 0.00 C ATOM 303 C THR A 21 28.705 7.584 -3.206 1.00 0.00 C ATOM 304 O THR A 21 28.202 6.747 -3.956 1.00 0.00 O ATOM 305 CB THR A 21 29.726 9.522 -4.367 1.00 0.00 C ATOM 306 OG1 THR A 21 30.864 9.835 -3.555 1.00 0.00 O ATOM 307 CG2 THR A 21 29.345 10.730 -5.210 1.00 0.00 C ATOM 0 H THR A 21 29.169 9.515 -1.526 1.00 0.00 H new ATOM 0 HA THR A 21 27.612 9.261 -3.996 1.00 0.00 H new ATOM 0 HB THR A 21 29.975 8.701 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.607 10.118 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.193 11.025 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.501 10.475 -5.851 1.00 0.00 H new ATOM 0 HG23 THR A 21 29.067 11.557 -4.556 1.00 0.00 H new ATOM 315 N ARG A 22 29.401 7.268 -2.123 1.00 0.00 N ATOM 316 CA ARG A 22 29.638 5.883 -1.734 1.00 0.00 C ATOM 317 C ARG A 22 29.084 5.611 -0.341 1.00 0.00 C ATOM 318 O ARG A 22 28.875 6.539 0.442 1.00 0.00 O ATOM 319 CB ARG A 22 31.129 5.575 -1.757 1.00 0.00 C ATOM 320 CG ARG A 22 31.778 5.763 -3.119 1.00 0.00 C ATOM 321 CD ARG A 22 33.212 5.263 -3.117 1.00 0.00 C ATOM 322 NE ARG A 22 33.839 5.376 -4.430 1.00 0.00 N ATOM 323 CZ ARG A 22 34.969 4.757 -4.760 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.585 3.984 -3.876 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.482 4.911 -5.973 1.00 0.00 N ATOM 0 H ARG A 22 29.814 7.956 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 22 29.126 5.239 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.633 6.216 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.282 4.546 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.204 5.227 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.758 6.818 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.792 5.831 -2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.231 4.222 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 22 33.386 5.961 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.192 3.864 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.452 3.510 -4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.010 5.505 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.349 4.436 -6.224 1.00 0.00 H new ATOM 339 N PHE A 23 28.859 4.335 -0.026 1.00 0.00 N ATOM 340 CA PHE A 23 28.322 3.923 1.268 1.00 0.00 C ATOM 341 C PHE A 23 28.917 2.569 1.654 1.00 0.00 C ATOM 342 O PHE A 23 28.618 1.551 1.031 1.00 0.00 O ATOM 343 CB PHE A 23 26.788 3.832 1.213 1.00 0.00 C ATOM 344 CG PHE A 23 26.109 5.125 0.851 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.206 5.635 -0.431 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.383 5.835 1.795 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.601 6.825 -0.770 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.771 7.029 1.462 1.00 0.00 C ATOM 349 CZ PHE A 23 24.880 7.525 0.178 1.00 0.00 C ATOM 0 H PHE A 23 29.044 3.559 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 23 28.592 4.666 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.506 3.070 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.419 3.500 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.765 5.091 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.295 5.451 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.690 7.210 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.208 7.573 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.403 8.458 -0.084 1.00 0.00 H new ATOM 359 N LYS A 24 29.768 2.574 2.677 1.00 0.00 N ATOM 360 CA LYS A 24 30.444 1.358 3.138 1.00 0.00 C ATOM 361 C LYS A 24 29.488 0.175 3.286 1.00 0.00 C ATOM 362 O LYS A 24 28.271 0.345 3.349 1.00 0.00 O ATOM 363 CB LYS A 24 31.160 1.621 4.465 1.00 0.00 C ATOM 364 CG LYS A 24 30.546 2.752 5.280 1.00 0.00 C ATOM 365 CD LYS A 24 29.181 2.374 5.832 1.00 0.00 C ATOM 366 CE LYS A 24 28.626 3.454 6.749 1.00 0.00 C ATOM 367 NZ LYS A 24 29.409 3.569 8.011 1.00 0.00 N ATOM 0 H LYS A 24 30.009 3.411 3.207 1.00 0.00 H new ATOM 0 HA LYS A 24 31.173 1.090 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.148 0.708 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.205 1.857 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 24 31.212 3.010 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.452 3.640 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.489 2.206 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.257 1.435 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.634 4.412 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.586 3.229 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.889 4.162 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.553 2.623 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.332 4.003 7.808 1.00 0.00 H new ATOM 381 N THR A 25 30.060 -1.030 3.343 1.00 0.00 N ATOM 382 CA THR A 25 29.280 -2.254 3.470 1.00 0.00 C ATOM 383 C THR A 25 28.523 -2.319 4.789 1.00 0.00 C ATOM 384 O THR A 25 27.778 -3.267 5.042 1.00 0.00 O ATOM 385 CB THR A 25 30.165 -3.499 3.365 1.00 0.00 C ATOM 386 OG1 THR A 25 31.498 -3.195 3.792 1.00 0.00 O ATOM 387 CG2 THR A 25 30.189 -4.054 1.943 1.00 0.00 C ATOM 0 H THR A 25 31.068 -1.180 3.303 1.00 0.00 H new ATOM 0 HA THR A 25 28.566 -2.236 2.646 1.00 0.00 H new ATOM 0 HB THR A 25 29.740 -4.263 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 25 32.055 -3.998 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.827 -4.937 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.177 -4.325 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.580 -3.297 1.263 1.00 0.00 H new ATOM 395 N GLY A 26 28.716 -1.315 5.626 1.00 0.00 N ATOM 396 CA GLY A 26 28.044 -1.291 6.911 1.00 0.00 C ATOM 397 C GLY A 26 26.879 -0.330 6.915 1.00 0.00 C ATOM 398 O GLY A 26 26.061 -0.328 7.836 1.00 0.00 O ATOM 0 H GLY A 26 29.324 -0.517 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.690 -2.293 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.754 -1.006 7.687 1.00 0.00 H new ATOM 402 N THR A 27 26.813 0.489 5.877 1.00 0.00 N ATOM 403 CA THR A 27 25.754 1.481 5.737 1.00 0.00 C ATOM 404 C THR A 27 24.382 0.825 5.646 1.00 0.00 C ATOM 405 O THR A 27 24.268 -0.386 5.451 1.00 0.00 O ATOM 406 CB THR A 27 25.969 2.354 4.488 1.00 0.00 C ATOM 407 OG1 THR A 27 25.230 3.576 4.610 1.00 0.00 O ATOM 408 CG2 THR A 27 25.528 1.618 3.231 1.00 0.00 C ATOM 0 H THR A 27 27.487 0.487 5.111 1.00 0.00 H new ATOM 0 HA THR A 27 25.794 2.107 6.629 1.00 0.00 H new ATOM 0 HB THR A 27 27.033 2.577 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.705 3.723 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.689 2.255 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.109 0.702 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.469 1.369 3.307 1.00 0.00 H new ATOM 416 N THR A 28 23.343 1.639 5.784 1.00 0.00 N ATOM 417 CA THR A 28 21.971 1.160 5.706 1.00 0.00 C ATOM 418 C THR A 28 21.025 2.315 5.402 1.00 0.00 C ATOM 419 O THR A 28 20.985 3.306 6.131 1.00 0.00 O ATOM 420 CB THR A 28 21.535 0.464 7.010 1.00 0.00 C ATOM 421 OG1 THR A 28 22.300 -0.731 7.208 1.00 0.00 O ATOM 422 CG2 THR A 28 20.053 0.123 6.981 1.00 0.00 C ATOM 0 H THR A 28 23.427 2.642 5.952 1.00 0.00 H new ATOM 0 HA THR A 28 21.926 0.428 4.900 1.00 0.00 H new ATOM 0 HB THR A 28 21.714 1.153 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.828 -0.918 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.774 -0.367 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.471 1.037 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.850 -0.546 6.145 1.00 0.00 H new ATOM 430 N LEU A 29 20.262 2.183 4.320 1.00 0.00 N ATOM 431 CA LEU A 29 19.342 3.234 3.906 1.00 0.00 C ATOM 432 C LEU A 29 17.973 3.077 4.554 1.00 0.00 C ATOM 433 O LEU A 29 17.649 2.026 5.109 1.00 0.00 O ATOM 434 CB LEU A 29 19.196 3.244 2.381 1.00 0.00 C ATOM 435 CG LEU A 29 20.510 3.148 1.595 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.321 3.654 0.173 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.617 3.913 2.291 1.00 0.00 C ATOM 0 H LEU A 29 20.264 1.360 3.717 1.00 0.00 H new ATOM 0 HA LEU A 29 19.763 4.183 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.555 2.412 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.683 4.160 2.088 1.00 0.00 H new ATOM 0 HG LEU A 29 20.801 2.099 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.264 3.578 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.564 3.052 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.999 4.695 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.537 3.828 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.337 4.963 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.775 3.499 3.287 1.00 0.00 H new ATOM 449 N LYS A 30 17.175 4.136 4.474 1.00 0.00 N ATOM 450 CA LYS A 30 15.837 4.137 5.043 1.00 0.00 C ATOM 451 C LYS A 30 14.825 3.614 4.036 1.00 0.00 C ATOM 452 O LYS A 30 14.398 2.462 4.106 1.00 0.00 O ATOM 453 CB LYS A 30 15.450 5.552 5.475 1.00 0.00 C ATOM 454 CG LYS A 30 15.605 5.806 6.966 1.00 0.00 C ATOM 455 CD LYS A 30 14.590 5.018 7.777 1.00 0.00 C ATOM 456 CE LYS A 30 14.700 5.331 9.259 1.00 0.00 C ATOM 457 NZ LYS A 30 13.653 4.634 10.055 1.00 0.00 N ATOM 0 H LYS A 30 17.436 5.010 4.017 1.00 0.00 H new ATOM 0 HA LYS A 30 15.835 3.481 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.064 6.268 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.414 5.737 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.613 5.533 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.486 6.870 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.584 5.251 7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.744 3.951 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.686 5.037 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.614 6.407 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.764 4.875 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.712 4.934 9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.751 3.606 9.932 1.00 0.00 H new ATOM 471 N TYR A 31 14.446 4.477 3.101 1.00 0.00 N ATOM 472 CA TYR A 31 13.494 4.119 2.060 1.00 0.00 C ATOM 473 C TYR A 31 12.099 3.847 2.625 1.00 0.00 C ATOM 474 O TYR A 31 11.928 3.094 3.582 1.00 0.00 O ATOM 475 CB TYR A 31 14.009 2.914 1.272 1.00 0.00 C ATOM 476 CG TYR A 31 14.783 3.304 0.034 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.147 3.555 0.097 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.149 3.429 -1.195 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.858 3.920 -1.029 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.853 3.793 -2.326 1.00 0.00 C ATOM 481 CZ TYR A 31 16.206 4.038 -2.238 1.00 0.00 C ATOM 482 OH TYR A 31 16.912 4.400 -3.363 1.00 0.00 O ATOM 0 H TYR A 31 14.787 5.437 3.044 1.00 0.00 H new ATOM 0 HA TYR A 31 13.401 4.971 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.647 2.311 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.165 2.288 0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.661 3.463 1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.088 3.239 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.919 4.112 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.345 3.885 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 31 17.836 4.083 -3.285 1.00 0.00 H new ATOM 492 N THR A 32 11.113 4.486 2.005 1.00 0.00 N ATOM 493 CA THR A 32 9.719 4.338 2.411 1.00 0.00 C ATOM 494 C THR A 32 8.927 3.552 1.368 1.00 0.00 C ATOM 495 O THR A 32 9.445 3.235 0.300 1.00 0.00 O ATOM 496 CB THR A 32 9.061 5.713 2.626 1.00 0.00 C ATOM 497 OG1 THR A 32 7.635 5.587 2.675 1.00 0.00 O ATOM 498 CG2 THR A 32 9.457 6.673 1.516 1.00 0.00 C ATOM 0 H THR A 32 11.254 5.115 1.215 1.00 0.00 H new ATOM 0 HA THR A 32 9.708 3.788 3.352 1.00 0.00 H new ATOM 0 HB THR A 32 9.411 6.111 3.578 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.233 6.470 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.983 7.640 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.540 6.796 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.133 6.272 0.556 1.00 0.00 H new ATOM 506 N CYS A 33 7.669 3.243 1.679 1.00 0.00 N ATOM 507 CA CYS A 33 6.821 2.481 0.763 1.00 0.00 C ATOM 508 C CYS A 33 5.574 3.260 0.352 1.00 0.00 C ATOM 509 O CYS A 33 4.813 3.758 1.182 1.00 0.00 O ATOM 510 CB CYS A 33 6.396 1.164 1.412 1.00 0.00 C ATOM 511 SG CYS A 33 7.632 -0.167 1.309 1.00 0.00 S ATOM 0 H CYS A 33 7.216 3.507 2.554 1.00 0.00 H new ATOM 0 HA CYS A 33 7.411 2.287 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.168 1.349 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.474 0.823 0.940 1.00 0.00 H new ATOM 516 N LEU A 34 5.408 3.348 -0.968 1.00 0.00 N ATOM 517 CA LEU A 34 4.299 4.072 -1.578 1.00 0.00 C ATOM 518 C LEU A 34 2.964 3.730 -0.911 1.00 0.00 C ATOM 519 O LEU A 34 2.818 2.681 -0.285 1.00 0.00 O ATOM 520 CB LEU A 34 4.240 3.784 -3.080 1.00 0.00 C ATOM 521 CG LEU A 34 5.544 4.051 -3.839 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.395 3.661 -5.303 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.948 5.512 -3.715 1.00 0.00 C ATOM 0 H LEU A 34 6.041 2.918 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 34 4.475 5.137 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.959 2.741 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.449 4.391 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 34 6.331 3.440 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.330 3.857 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.154 2.600 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.595 4.246 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.876 5.680 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.163 6.143 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.095 5.761 -2.664 1.00 0.00 H new ATOM 535 N PRO A 35 1.977 4.633 -1.040 1.00 0.00 N ATOM 536 CA PRO A 35 0.640 4.479 -0.450 1.00 0.00 C ATOM 537 C PRO A 35 -0.004 3.111 -0.666 1.00 0.00 C ATOM 538 O PRO A 35 -0.788 2.657 0.168 1.00 0.00 O ATOM 539 CB PRO A 35 -0.197 5.566 -1.149 1.00 0.00 C ATOM 540 CG PRO A 35 0.679 6.139 -2.216 1.00 0.00 C ATOM 541 CD PRO A 35 2.087 5.904 -1.767 1.00 0.00 C ATOM 0 HA PRO A 35 0.700 4.571 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.106 5.143 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.505 6.336 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.490 5.657 -3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.485 7.203 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.775 5.832 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.449 6.708 -1.127 1.00 0.00 H new ATOM 549 N GLY A 36 0.318 2.452 -1.769 1.00 0.00 N ATOM 550 CA GLY A 36 -0.283 1.158 -2.063 1.00 0.00 C ATOM 551 C GLY A 36 0.378 -0.030 -1.387 1.00 0.00 C ATOM 552 O GLY A 36 -0.080 -1.161 -1.545 1.00 0.00 O ATOM 0 H GLY A 36 0.983 2.785 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.332 1.187 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.260 1.001 -3.141 1.00 0.00 H new ATOM 556 N TYR A 37 1.432 0.206 -0.624 1.00 0.00 N ATOM 557 CA TYR A 37 2.112 -0.883 0.069 1.00 0.00 C ATOM 558 C TYR A 37 1.488 -1.090 1.442 1.00 0.00 C ATOM 559 O TYR A 37 1.180 -0.121 2.137 1.00 0.00 O ATOM 560 CB TYR A 37 3.611 -0.588 0.196 1.00 0.00 C ATOM 561 CG TYR A 37 4.334 -0.542 -1.136 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.354 0.620 -1.894 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.989 -1.661 -1.641 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.004 0.668 -3.112 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.637 -1.620 -2.858 1.00 0.00 C ATOM 566 CZ TYR A 37 5.642 -0.451 -3.589 1.00 0.00 C ATOM 567 OH TYR A 37 6.275 -0.404 -4.808 1.00 0.00 O ATOM 0 H TYR A 37 1.834 1.130 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 37 1.996 -1.798 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.743 0.367 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.071 -1.351 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.853 1.503 -1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.990 -2.578 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.011 1.582 -3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.138 -2.499 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 37 7.008 0.246 -4.771 1.00 0.00 H new ATOM 577 N VAL A 38 1.295 -2.347 1.841 1.00 0.00 N ATOM 578 CA VAL A 38 0.693 -2.704 3.118 1.00 0.00 C ATOM 579 C VAL A 38 1.540 -3.778 3.793 1.00 0.00 C ATOM 580 O VAL A 38 2.759 -3.826 3.629 1.00 0.00 O ATOM 581 CB VAL A 38 -0.742 -3.237 2.914 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.582 -2.237 2.141 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.720 -4.571 2.195 1.00 0.00 C ATOM 0 H VAL A 38 1.557 -3.155 1.276 1.00 0.00 H new ATOM 0 HA VAL A 38 0.649 -1.814 3.745 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.192 -3.380 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.589 -2.633 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.631 -1.299 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.131 -2.060 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.741 -4.929 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.247 -4.451 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.157 -5.293 2.786 1.00 0.00 H new ATOM 593 N ARG A 39 0.861 -4.627 4.563 1.00 0.00 N ATOM 594 CA ARG A 39 1.494 -5.726 5.284 1.00 0.00 C ATOM 595 C ARG A 39 2.611 -6.377 4.475 1.00 0.00 C ATOM 596 O ARG A 39 2.521 -6.501 3.254 1.00 0.00 O ATOM 597 CB ARG A 39 0.454 -6.783 5.652 1.00 0.00 C ATOM 598 CG ARG A 39 -0.615 -6.287 6.610 1.00 0.00 C ATOM 599 CD ARG A 39 -1.529 -7.420 7.047 1.00 0.00 C ATOM 600 NE ARG A 39 -2.503 -6.988 8.047 1.00 0.00 N ATOM 601 CZ ARG A 39 -3.261 -7.828 8.743 1.00 0.00 C ATOM 602 NH1 ARG A 39 -3.161 -9.136 8.546 1.00 0.00 N ATOM 603 NH2 ARG A 39 -4.119 -7.361 9.640 1.00 0.00 N ATOM 0 H ARG A 39 -0.148 -4.570 4.704 1.00 0.00 H new ATOM 0 HA ARG A 39 1.935 -5.305 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.026 -7.139 4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.961 -7.637 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.144 -5.838 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.204 -5.506 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.054 -7.817 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.928 -8.233 7.455 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.606 -5.988 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.501 -9.499 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.744 -9.779 9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.197 -6.356 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.701 -8.007 10.174 1.00 0.00 H new ATOM 617 N SER A 40 3.657 -6.797 5.181 1.00 0.00 N ATOM 618 CA SER A 40 4.808 -7.444 4.564 1.00 0.00 C ATOM 619 C SER A 40 5.871 -7.764 5.607 1.00 0.00 C ATOM 620 O SER A 40 6.329 -8.901 5.715 1.00 0.00 O ATOM 621 CB SER A 40 5.411 -6.547 3.490 1.00 0.00 C ATOM 622 OG SER A 40 6.458 -7.207 2.800 1.00 0.00 O ATOM 0 H SER A 40 3.730 -6.698 6.194 1.00 0.00 H new ATOM 0 HA SER A 40 4.465 -8.373 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.636 -6.250 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.792 -5.634 3.947 1.00 0.00 H new ATOM 0 HG SER A 40 6.218 -8.147 2.663 1.00 0.00 H new ATOM 628 N HIS A 41 6.262 -6.744 6.370 1.00 0.00 N ATOM 629 CA HIS A 41 7.277 -6.899 7.406 1.00 0.00 C ATOM 630 C HIS A 41 8.596 -7.357 6.799 1.00 0.00 C ATOM 631 O HIS A 41 9.442 -7.936 7.483 1.00 0.00 O ATOM 632 CB HIS A 41 6.812 -7.901 8.460 1.00 0.00 C ATOM 633 CG HIS A 41 5.509 -7.535 9.101 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.312 -8.137 8.775 1.00 0.00 N ATOM 635 CD2 HIS A 41 5.221 -6.620 10.058 1.00 0.00 C ATOM 636 CE1 HIS A 41 3.343 -7.610 9.504 1.00 0.00 C ATOM 637 NE2 HIS A 41 3.869 -6.689 10.290 1.00 0.00 N ATOM 0 H HIS A 41 5.888 -5.799 6.288 1.00 0.00 H new ATOM 0 HA HIS A 41 7.430 -5.931 7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.717 -8.884 7.998 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.577 -7.984 9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.923 -5.960 10.547 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.300 -7.886 9.463 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.354 -6.120 10.962 1.00 0.00 H new ATOM 646 N SER A 42 8.764 -7.092 5.509 1.00 0.00 N ATOM 647 CA SER A 42 9.976 -7.470 4.798 1.00 0.00 C ATOM 648 C SER A 42 11.099 -6.475 5.073 1.00 0.00 C ATOM 649 O SER A 42 12.242 -6.687 4.667 1.00 0.00 O ATOM 650 CB SER A 42 9.697 -7.549 3.301 1.00 0.00 C ATOM 651 OG SER A 42 8.844 -8.639 2.996 1.00 0.00 O ATOM 0 H SER A 42 8.071 -6.614 4.933 1.00 0.00 H new ATOM 0 HA SER A 42 10.295 -8.450 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.238 -6.619 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.636 -7.656 2.758 1.00 0.00 H new ATOM 0 HG SER A 42 7.928 -8.313 2.873 1.00 0.00 H new ATOM 657 N THR A 43 10.756 -5.392 5.765 1.00 0.00 N ATOM 658 CA THR A 43 11.724 -4.354 6.117 1.00 0.00 C ATOM 659 C THR A 43 12.294 -3.660 4.882 1.00 0.00 C ATOM 660 O THR A 43 12.528 -4.295 3.855 1.00 0.00 O ATOM 661 CB THR A 43 12.880 -4.948 6.933 1.00 0.00 C ATOM 662 OG1 THR A 43 12.397 -5.413 8.199 1.00 0.00 O ATOM 663 CG2 THR A 43 13.989 -3.927 7.149 1.00 0.00 C ATOM 0 H THR A 43 9.809 -5.209 6.096 1.00 0.00 H new ATOM 0 HA THR A 43 11.189 -3.614 6.713 1.00 0.00 H new ATOM 0 HB THR A 43 13.293 -5.784 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.140 -5.792 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.792 -4.380 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.378 -3.603 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.592 -3.067 7.688 1.00 0.00 H new ATOM 671 N GLN A 44 12.543 -2.355 5.000 1.00 0.00 N ATOM 672 CA GLN A 44 13.080 -1.576 3.894 1.00 0.00 C ATOM 673 C GLN A 44 14.406 -0.926 4.271 1.00 0.00 C ATOM 674 O GLN A 44 14.438 0.064 5.001 1.00 0.00 O ATOM 675 CB GLN A 44 12.080 -0.506 3.442 1.00 0.00 C ATOM 676 CG GLN A 44 11.494 0.329 4.572 1.00 0.00 C ATOM 677 CD GLN A 44 10.372 -0.377 5.309 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.695 -0.976 6.449 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 9.223 -0.366 4.868 1.00 0.00 N flip ATOM 0 H GLN A 44 12.380 -1.819 5.852 1.00 0.00 H new ATOM 0 HA GLN A 44 13.256 -2.262 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.575 0.159 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.265 -0.992 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.285 0.580 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.120 1.269 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.019 0.107 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.475 -0.829 5.383 1.00 0.00 H new ATOM 688 N THR A 45 15.495 -1.496 3.763 1.00 0.00 N ATOM 689 CA THR A 45 16.830 -0.981 4.031 1.00 0.00 C ATOM 690 C THR A 45 17.811 -1.419 2.946 1.00 0.00 C ATOM 691 O THR A 45 17.793 -2.570 2.511 1.00 0.00 O ATOM 692 CB THR A 45 17.369 -1.456 5.396 1.00 0.00 C ATOM 693 OG1 THR A 45 17.171 -2.867 5.539 1.00 0.00 O ATOM 694 CG2 THR A 45 16.693 -0.725 6.547 1.00 0.00 C ATOM 0 H THR A 45 15.476 -2.319 3.161 1.00 0.00 H new ATOM 0 HA THR A 45 16.744 0.106 4.042 1.00 0.00 H new ATOM 0 HB THR A 45 18.435 -1.231 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.518 -3.160 6.408 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.097 -1.084 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.878 0.345 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.620 -0.912 6.516 1.00 0.00 H new ATOM 702 N LEU A 46 18.663 -0.497 2.512 1.00 0.00 N ATOM 703 CA LEU A 46 19.662 -0.799 1.486 1.00 0.00 C ATOM 704 C LEU A 46 21.032 -0.936 2.140 1.00 0.00 C ATOM 705 O LEU A 46 21.587 0.040 2.646 1.00 0.00 O ATOM 706 CB LEU A 46 19.686 0.285 0.404 1.00 0.00 C ATOM 707 CG LEU A 46 18.767 0.032 -0.795 1.00 0.00 C ATOM 708 CD1 LEU A 46 18.792 1.214 -1.751 1.00 0.00 C ATOM 709 CD2 LEU A 46 19.180 -1.237 -1.518 1.00 0.00 C ATOM 0 H LEU A 46 18.684 0.464 2.852 1.00 0.00 H new ATOM 0 HA LEU A 46 19.397 -1.739 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.409 1.236 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.708 0.391 0.041 1.00 0.00 H new ATOM 0 HG LEU A 46 17.749 -0.090 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.132 1.013 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.453 2.110 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.809 1.368 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.518 -1.404 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.206 -1.137 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.113 -2.083 -0.834 1.00 0.00 H new ATOM 721 N THR A 47 21.577 -2.153 2.127 1.00 0.00 N ATOM 722 CA THR A 47 22.881 -2.405 2.731 1.00 0.00 C ATOM 723 C THR A 47 23.910 -2.786 1.679 1.00 0.00 C ATOM 724 O THR A 47 23.577 -3.435 0.687 1.00 0.00 O ATOM 725 CB THR A 47 22.810 -3.547 3.761 1.00 0.00 C ATOM 726 OG1 THR A 47 21.566 -3.494 4.470 1.00 0.00 O ATOM 727 CG2 THR A 47 23.964 -3.452 4.748 1.00 0.00 C ATOM 0 H THR A 47 21.138 -2.973 1.708 1.00 0.00 H new ATOM 0 HA THR A 47 23.178 -1.480 3.224 1.00 0.00 H new ATOM 0 HB THR A 47 22.882 -4.494 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.529 -4.225 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.896 -4.268 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.909 -3.521 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.915 -2.499 5.275 1.00 0.00 H new ATOM 735 N CYS A 48 25.160 -2.384 1.889 1.00 0.00 N ATOM 736 CA CYS A 48 26.211 -2.733 0.952 1.00 0.00 C ATOM 737 C CYS A 48 26.777 -4.081 1.373 1.00 0.00 C ATOM 738 O CYS A 48 27.293 -4.233 2.478 1.00 0.00 O ATOM 739 CB CYS A 48 27.301 -1.660 0.918 1.00 0.00 C ATOM 740 SG CYS A 48 28.550 -1.902 -0.385 1.00 0.00 S ATOM 0 H CYS A 48 25.462 -1.826 2.687 1.00 0.00 H new ATOM 0 HA CYS A 48 25.807 -2.796 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.832 -0.686 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.802 -1.637 1.886 1.00 0.00 H new ATOM 745 N ASN A 49 26.656 -5.060 0.491 1.00 0.00 N ATOM 746 CA ASN A 49 27.198 -6.383 0.753 1.00 0.00 C ATOM 747 C ASN A 49 28.514 -6.551 0.003 1.00 0.00 C ATOM 748 O ASN A 49 28.853 -5.728 -0.847 1.00 0.00 O ATOM 749 CB ASN A 49 26.204 -7.463 0.320 1.00 0.00 C ATOM 750 CG ASN A 49 26.054 -7.539 -1.187 1.00 0.00 C ATOM 751 OD1 ASN A 49 26.333 -6.576 -1.898 1.00 0.00 O ATOM 752 ND2 ASN A 49 25.611 -8.688 -1.682 1.00 0.00 N ATOM 0 H ASN A 49 26.188 -4.964 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 49 27.376 -6.489 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.534 -8.430 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 49 25.232 -7.260 0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.490 -8.797 -2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 49 25.391 -9.462 -1.055 1.00 0.00 H new ATOM 759 N SER A 50 29.260 -7.600 0.325 1.00 0.00 N ATOM 760 CA SER A 50 30.525 -7.861 -0.353 1.00 0.00 C ATOM 761 C SER A 50 30.237 -8.470 -1.722 1.00 0.00 C ATOM 762 O SER A 50 30.569 -9.624 -1.999 1.00 0.00 O ATOM 763 CB SER A 50 31.399 -8.798 0.483 1.00 0.00 C ATOM 764 OG SER A 50 32.693 -8.929 -0.079 1.00 0.00 O ATOM 0 H SER A 50 29.015 -8.279 1.045 1.00 0.00 H new ATOM 0 HA SER A 50 31.070 -6.925 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 50 31.479 -8.414 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.927 -9.778 0.548 1.00 0.00 H new ATOM 0 HG SER A 50 33.231 -9.532 0.476 1.00 0.00 H new ATOM 770 N ASP A 51 29.610 -7.660 -2.568 1.00 0.00 N ATOM 771 CA ASP A 51 29.224 -8.042 -3.921 1.00 0.00 C ATOM 772 C ASP A 51 29.161 -6.807 -4.806 1.00 0.00 C ATOM 773 O ASP A 51 28.864 -6.889 -5.999 1.00 0.00 O ATOM 774 CB ASP A 51 27.851 -8.703 -3.903 1.00 0.00 C ATOM 775 CG ASP A 51 27.851 -10.028 -3.162 1.00 0.00 C ATOM 776 OD1 ASP A 51 27.835 -10.013 -1.914 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.869 -11.081 -3.834 1.00 0.00 O ATOM 0 H ASP A 51 29.351 -6.703 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 51 29.964 -8.741 -4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.133 -8.029 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 51 27.516 -8.864 -4.928 1.00 0.00 H new ATOM 782 N GLY A 52 29.445 -5.663 -4.197 1.00 0.00 N ATOM 783 CA GLY A 52 29.394 -4.407 -4.917 1.00 0.00 C ATOM 784 C GLY A 52 28.005 -4.076 -5.427 1.00 0.00 C ATOM 785 O GLY A 52 27.829 -3.284 -6.353 1.00 0.00 O ATOM 0 H GLY A 52 29.710 -5.583 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.736 -3.605 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 52 30.085 -4.448 -5.759 1.00 0.00 H new ATOM 789 N GLU A 53 27.025 -4.706 -4.792 1.00 0.00 N ATOM 790 CA GLU A 53 25.624 -4.479 -5.122 1.00 0.00 C ATOM 791 C GLU A 53 24.810 -4.214 -3.861 1.00 0.00 C ATOM 792 O GLU A 53 25.232 -4.551 -2.756 1.00 0.00 O ATOM 793 CB GLU A 53 25.051 -5.687 -5.865 1.00 0.00 C ATOM 794 CG GLU A 53 24.730 -6.860 -4.954 1.00 0.00 C ATOM 795 CD GLU A 53 24.532 -8.154 -5.718 1.00 0.00 C ATOM 796 OE1 GLU A 53 25.535 -8.709 -6.214 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.375 -8.613 -5.820 1.00 0.00 O ATOM 0 H GLU A 53 27.176 -5.381 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 53 25.564 -3.603 -5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.144 -5.385 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.765 -6.010 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.538 -6.988 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.828 -6.637 -4.385 1.00 0.00 H new ATOM 804 N TRP A 54 23.646 -3.600 -4.028 1.00 0.00 N ATOM 805 CA TRP A 54 22.774 -3.308 -2.910 1.00 0.00 C ATOM 806 C TRP A 54 21.795 -4.441 -2.689 1.00 0.00 C ATOM 807 O TRP A 54 20.930 -4.717 -3.521 1.00 0.00 O ATOM 808 CB TRP A 54 21.999 -2.035 -3.164 1.00 0.00 C ATOM 809 CG TRP A 54 22.848 -0.805 -3.123 1.00 0.00 C ATOM 810 CD1 TRP A 54 23.320 -0.095 -4.186 1.00 0.00 C ATOM 811 CD2 TRP A 54 23.333 -0.149 -1.953 1.00 0.00 C ATOM 812 NE1 TRP A 54 24.062 0.975 -3.746 1.00 0.00 N ATOM 813 CE2 TRP A 54 24.084 0.962 -2.375 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.196 -0.393 -0.589 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.701 1.827 -1.476 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.807 0.464 0.306 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.550 1.564 -0.141 1.00 0.00 C ATOM 0 H TRP A 54 23.287 -3.295 -4.933 1.00 0.00 H new ATOM 0 HA TRP A 54 23.396 -3.187 -2.023 1.00 0.00 H new ATOM 0 HB2 TRP A 54 21.515 -2.101 -4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 54 21.207 -1.946 -2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 54 23.138 -0.338 -5.223 1.00 0.00 H new ATOM 0 HE1 TRP A 54 24.521 1.665 -4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.622 -1.237 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.277 2.674 -1.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.710 0.283 1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.013 2.218 0.583 1.00 0.00 H new ATOM 828 N VAL A 55 21.949 -5.090 -1.550 1.00 0.00 N ATOM 829 CA VAL A 55 21.109 -6.212 -1.185 1.00 0.00 C ATOM 830 C VAL A 55 19.995 -5.771 -0.262 1.00 0.00 C ATOM 831 O VAL A 55 20.120 -4.766 0.441 1.00 0.00 O ATOM 832 CB VAL A 55 21.896 -7.286 -0.458 1.00 0.00 C ATOM 833 CG1 VAL A 55 22.732 -8.093 -1.428 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.746 -6.667 0.630 1.00 0.00 C ATOM 0 H VAL A 55 22.658 -4.854 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 55 20.706 -6.610 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 55 21.195 -7.974 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 55 23.287 -8.856 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 55 22.081 -8.571 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 55 23.432 -7.433 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 55 23.305 -7.449 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 55 23.442 -5.954 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.104 -6.151 1.344 1.00 0.00 H new ATOM 844 N TYR A 56 18.911 -6.534 -0.262 1.00 0.00 N ATOM 845 CA TYR A 56 17.784 -6.233 0.616 1.00 0.00 C ATOM 846 C TYR A 56 16.595 -7.164 0.380 1.00 0.00 C ATOM 847 O TYR A 56 16.598 -7.960 -0.559 1.00 0.00 O ATOM 848 CB TYR A 56 17.327 -4.793 0.389 1.00 0.00 C ATOM 849 CG TYR A 56 16.984 -4.515 -1.062 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.974 -4.203 -1.985 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.671 -4.576 -1.509 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.667 -3.961 -3.310 1.00 0.00 C ATOM 853 CE2 TYR A 56 15.355 -4.334 -2.832 1.00 0.00 C ATOM 854 CZ TYR A 56 16.357 -4.027 -3.728 1.00 0.00 C ATOM 855 OH TYR A 56 16.046 -3.788 -5.047 1.00 0.00 O ATOM 0 H TYR A 56 18.786 -7.357 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 56 18.129 -6.377 1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.455 -4.590 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.114 -4.110 0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 56 19.003 -4.149 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.883 -4.817 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.450 -3.721 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.328 -4.385 -3.163 1.00 0.00 H new ATOM 0 HH TYR A 56 15.078 -3.875 -5.176 1.00 0.00 H new ATOM 865 N ASN A 57 15.583 -7.060 1.234 1.00 0.00 N ATOM 866 CA ASN A 57 14.392 -7.893 1.113 1.00 0.00 C ATOM 867 C ASN A 57 13.307 -7.173 0.323 1.00 0.00 C ATOM 868 O ASN A 57 13.465 -6.011 -0.050 1.00 0.00 O ATOM 869 CB ASN A 57 13.861 -8.269 2.500 1.00 0.00 C ATOM 870 CG ASN A 57 14.836 -9.126 3.283 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.731 -8.614 3.954 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.660 -10.442 3.206 1.00 0.00 N ATOM 0 H ASN A 57 15.563 -6.407 2.018 1.00 0.00 H new ATOM 0 HA ASN A 57 14.668 -8.802 0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.648 -7.360 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.918 -8.804 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.281 -11.070 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.904 -10.823 2.637 1.00 0.00 H new ATOM 879 N THR A 58 12.204 -7.868 0.071 1.00 0.00 N ATOM 880 CA THR A 58 11.090 -7.294 -0.672 1.00 0.00 C ATOM 881 C THR A 58 10.193 -6.477 0.252 1.00 0.00 C ATOM 882 O THR A 58 9.047 -6.848 0.507 1.00 0.00 O ATOM 883 CB THR A 58 10.251 -8.391 -1.354 1.00 0.00 C ATOM 884 OG1 THR A 58 11.102 -9.259 -2.111 1.00 0.00 O ATOM 885 CG2 THR A 58 9.197 -7.785 -2.269 1.00 0.00 C ATOM 0 H THR A 58 12.058 -8.832 0.371 1.00 0.00 H new ATOM 0 HA THR A 58 11.510 -6.644 -1.439 1.00 0.00 H new ATOM 0 HB THR A 58 9.745 -8.962 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.561 -9.955 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.620 -8.582 -2.737 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.531 -7.149 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.684 -7.189 -3.041 1.00 0.00 H new ATOM 893 N PHE A 59 10.726 -5.368 0.758 1.00 0.00 N ATOM 894 CA PHE A 59 9.976 -4.504 1.664 1.00 0.00 C ATOM 895 C PHE A 59 8.591 -4.196 1.116 1.00 0.00 C ATOM 896 O PHE A 59 8.452 -3.721 -0.011 1.00 0.00 O ATOM 897 CB PHE A 59 10.722 -3.194 1.917 1.00 0.00 C ATOM 898 CG PHE A 59 11.569 -2.735 0.766 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.989 -2.253 -0.395 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.951 -2.778 0.852 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.773 -1.824 -1.448 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.737 -2.348 -0.194 1.00 0.00 C ATOM 903 CZ PHE A 59 13.148 -1.871 -1.346 1.00 0.00 C ATOM 0 H PHE A 59 11.673 -5.047 0.556 1.00 0.00 H new ATOM 0 HA PHE A 59 9.871 -5.043 2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.996 -2.416 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.357 -3.314 2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.913 -2.212 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.418 -3.153 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.310 -1.452 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.813 -2.384 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.763 -1.534 -2.168 1.00 0.00 H new ATOM 913 N CYS A 60 7.571 -4.466 1.925 1.00 0.00 N ATOM 914 CA CYS A 60 6.189 -4.212 1.530 1.00 0.00 C ATOM 915 C CYS A 60 5.809 -5.047 0.308 1.00 0.00 C ATOM 916 O CYS A 60 6.530 -5.073 -0.690 1.00 0.00 O ATOM 917 CB CYS A 60 5.997 -2.725 1.257 1.00 0.00 C ATOM 918 SG CYS A 60 6.845 -1.645 2.456 1.00 0.00 S ATOM 0 H CYS A 60 7.675 -4.861 2.859 1.00 0.00 H new ATOM 0 HA CYS A 60 5.529 -4.506 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.362 -2.498 0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.931 -2.497 1.267 1.00 0.00 H new ATOM 923 N ILE A 61 4.670 -5.729 0.388 1.00 0.00 N ATOM 924 CA ILE A 61 4.215 -6.578 -0.709 1.00 0.00 C ATOM 925 C ILE A 61 3.321 -5.820 -1.681 1.00 0.00 C ATOM 926 O ILE A 61 3.266 -6.147 -2.867 1.00 0.00 O ATOM 927 CB ILE A 61 3.458 -7.817 -0.186 1.00 0.00 C ATOM 928 CG1 ILE A 61 1.995 -7.478 0.102 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.127 -8.352 1.068 1.00 0.00 C ATOM 930 CD1 ILE A 61 1.192 -8.660 0.596 1.00 0.00 C ATOM 0 H ILE A 61 4.048 -5.711 1.196 1.00 0.00 H new ATOM 0 HA ILE A 61 5.111 -6.902 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 61 3.487 -8.586 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.954 -6.683 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.534 -7.089 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.583 -9.226 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.155 -8.633 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.124 -7.582 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.164 -8.350 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.203 -9.448 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.629 -9.036 1.521 1.00 0.00 H new ATOM 942 N TYR A 62 2.621 -4.816 -1.170 1.00 0.00 N ATOM 943 CA TYR A 62 1.720 -4.011 -1.989 1.00 0.00 C ATOM 944 C TYR A 62 0.538 -4.839 -2.472 1.00 0.00 C ATOM 945 O TYR A 62 0.684 -5.722 -3.316 1.00 0.00 O ATOM 946 CB TYR A 62 2.462 -3.426 -3.192 1.00 0.00 C ATOM 947 CG TYR A 62 1.766 -2.239 -3.813 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.420 -2.282 -4.148 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.459 -1.067 -4.046 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.210 -1.185 -4.698 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.843 0.035 -4.597 1.00 0.00 C ATOM 952 CZ TYR A 62 0.508 -0.028 -4.924 1.00 0.00 C ATOM 953 OH TYR A 62 -0.112 1.073 -5.461 1.00 0.00 O ATOM 0 H TYR A 62 2.659 -4.538 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 62 1.348 -3.196 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.463 -3.128 -2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.581 -4.203 -3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.143 -3.188 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.507 -1.014 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.259 -1.231 -4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.404 0.942 -4.771 1.00 0.00 H new ATOM 0 HH TYR A 62 0.537 1.801 -5.553 1.00 0.00 H new ATOM 963 N LYS A 63 -0.633 -4.539 -1.929 1.00 0.00 N ATOM 964 CA LYS A 63 -1.864 -5.214 -2.298 1.00 0.00 C ATOM 965 C LYS A 63 -3.047 -4.326 -1.947 1.00 0.00 C ATOM 966 O LYS A 63 -3.230 -3.963 -0.785 1.00 0.00 O ATOM 967 CB LYS A 63 -1.973 -6.550 -1.559 1.00 0.00 C ATOM 968 CG LYS A 63 -1.613 -6.449 -0.087 1.00 0.00 C ATOM 969 CD LYS A 63 -2.355 -7.471 0.758 1.00 0.00 C ATOM 970 CE LYS A 63 -1.660 -7.700 2.089 1.00 0.00 C ATOM 971 NZ LYS A 63 -2.369 -8.709 2.923 1.00 0.00 N ATOM 0 H LYS A 63 -0.754 -3.818 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.863 -5.409 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.991 -6.928 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.318 -7.278 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.539 -6.592 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.843 -5.446 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.375 -7.129 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.423 -8.414 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.637 -8.031 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.600 -6.758 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.817 -8.897 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.307 -8.345 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.479 -9.591 2.383 1.00 0.00 H new ATOM 985 N ARG A 64 -3.851 -3.976 -2.941 1.00 0.00 N ATOM 986 CA ARG A 64 -5.002 -3.119 -2.716 1.00 0.00 C ATOM 987 C ARG A 64 -6.276 -3.753 -3.257 1.00 0.00 C ATOM 988 O ARG A 64 -6.237 -4.799 -3.903 1.00 0.00 O ATOM 989 CB ARG A 64 -4.772 -1.751 -3.352 1.00 0.00 C ATOM 990 CG ARG A 64 -4.227 -1.814 -4.764 1.00 0.00 C ATOM 991 CD ARG A 64 -3.351 -0.611 -5.063 1.00 0.00 C ATOM 992 NE ARG A 64 -4.100 0.642 -5.009 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.781 1.722 -5.717 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.726 1.706 -6.520 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.517 2.822 -5.619 1.00 0.00 N ATOM 0 H ARG A 64 -3.726 -4.273 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.125 -2.991 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.714 -1.202 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.079 -1.184 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.650 -2.730 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.052 -1.853 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.531 -0.574 -4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.906 -0.724 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.913 0.691 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.156 0.864 -6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.485 2.536 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.328 2.840 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.272 3.650 -6.162 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.405 -3.102 -3.007 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.691 -3.610 -3.448 1.00 0.00 C ATOM 1011 C CYS A 65 -9.283 -2.684 -4.493 1.00 0.00 C ATOM 1012 O CYS A 65 -9.284 -1.466 -4.320 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.647 -3.725 -2.260 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.824 -4.088 -0.676 1.00 0.00 S ATOM 0 H CYS A 65 -7.453 -2.219 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.547 -4.598 -3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.203 -2.792 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.375 -4.510 -2.467 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.778 -3.254 -5.582 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.371 -2.444 -6.630 1.00 0.00 C ATOM 1021 C ARG A 66 -11.496 -1.594 -6.056 1.00 0.00 C ATOM 1022 O ARG A 66 -12.263 -2.049 -5.214 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.894 -3.314 -7.775 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.670 -2.532 -8.823 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.803 -1.467 -9.476 1.00 0.00 C ATOM 1026 NE ARG A 66 -9.846 -2.040 -10.417 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.056 -1.311 -11.201 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.107 0.014 -11.151 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.215 -1.906 -12.035 1.00 0.00 N ATOM 0 H ARG A 66 -9.781 -4.258 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.598 -1.790 -7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.053 -3.814 -8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.536 -4.093 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.045 -3.215 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.538 -2.063 -8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.439 -0.751 -9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.266 -0.914 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.779 -3.056 -10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.753 0.476 -10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.500 0.571 -11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.173 -2.924 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.610 -1.346 -12.635 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.584 -0.361 -6.523 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.614 0.560 -6.056 1.00 0.00 C ATOM 1045 C HIS A 67 -13.996 -0.090 -6.131 1.00 0.00 C ATOM 1046 O HIS A 67 -14.346 -0.693 -7.147 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.586 1.834 -6.902 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.447 2.936 -6.370 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.717 3.196 -6.843 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.210 3.855 -5.407 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.221 4.231 -6.193 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.327 4.647 -5.316 1.00 0.00 N ATOM 0 H HIS A 67 -10.956 0.029 -7.226 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.412 0.812 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.558 2.190 -6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.907 1.592 -7.915 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -15.192 2.672 -7.578 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.309 3.948 -4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.198 4.663 -6.353 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.805 0.021 -5.058 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.155 -0.557 -5.020 1.00 0.00 C ATOM 1063 C PRO A 68 -17.008 -0.077 -6.183 1.00 0.00 C ATOM 1064 O PRO A 68 -17.810 -0.831 -6.733 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.737 -0.043 -3.696 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.856 1.089 -3.295 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.491 0.738 -3.811 1.00 0.00 C ATOM 0 HA PRO A 68 -16.133 -1.644 -5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.769 0.286 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.742 -0.826 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.207 2.029 -3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.846 1.214 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.884 1.625 -3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.939 0.112 -3.110 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.817 1.180 -6.560 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.585 1.755 -7.645 1.00 0.00 C ATOM 1077 C GLY A 69 -18.618 2.739 -7.142 1.00 0.00 C ATOM 1078 O GLY A 69 -18.637 3.115 -5.969 1.00 0.00 O ATOM 0 H GLY A 69 -16.141 1.813 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.912 2.258 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.081 0.959 -8.201 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.477 3.149 -8.066 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.537 4.091 -7.756 1.00 0.00 C ATOM 1084 C GLU A 70 -21.714 3.370 -7.118 1.00 0.00 C ATOM 1085 O GLU A 70 -22.167 2.333 -7.600 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.977 4.850 -9.011 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.037 5.907 -8.749 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.586 6.952 -7.747 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.810 6.750 -6.536 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.010 7.975 -8.175 1.00 0.00 O ATOM 0 H GLU A 70 -19.458 2.841 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.152 4.820 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.106 5.326 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.361 4.136 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.295 6.397 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.943 5.424 -8.382 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.201 3.943 -6.028 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.347 3.405 -5.320 1.00 0.00 C ATOM 1099 C LEU A 71 -24.570 4.213 -5.732 1.00 0.00 C ATOM 1100 O LEU A 71 -24.800 5.310 -5.224 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.108 3.467 -3.805 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.337 3.228 -2.932 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.989 1.891 -3.251 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.978 3.311 -1.456 1.00 0.00 C ATOM 0 H LEU A 71 -21.813 4.790 -5.613 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.506 2.357 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.350 2.728 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.696 4.446 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 71 -25.058 4.014 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.861 1.750 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.298 1.877 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.275 1.087 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.870 3.137 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -23.229 2.555 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.578 4.300 -1.234 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.346 3.669 -6.667 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.540 4.359 -7.143 1.00 0.00 C ATOM 1118 C ARG A 72 -27.512 4.545 -5.991 1.00 0.00 C ATOM 1119 O ARG A 72 -27.902 3.590 -5.320 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.191 3.623 -8.315 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.525 4.215 -8.744 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.077 3.516 -9.975 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.367 2.106 -9.724 1.00 0.00 N ATOM 1124 CZ ARG A 72 -29.583 1.214 -10.688 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -29.540 1.584 -11.960 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -29.844 -0.049 -10.378 1.00 0.00 N ATOM 0 H ARG A 72 -25.172 2.764 -7.105 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.248 5.340 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.508 3.635 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.339 2.579 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.241 4.132 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.402 5.278 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.987 4.020 -10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.358 3.598 -10.791 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.406 1.787 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.341 2.555 -12.202 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -29.706 0.898 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.879 -0.337 -9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -30.009 -0.732 -11.117 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.889 5.806 -5.777 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.759 6.174 -4.677 1.00 0.00 C ATOM 1142 C ASN A 73 -27.992 5.895 -3.400 1.00 0.00 C ATOM 1143 O ASN A 73 -28.517 5.280 -2.477 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.075 5.386 -4.716 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.928 5.715 -5.930 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.289 6.105 -7.029 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -32.154 5.617 -5.882 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.599 6.590 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.034 7.227 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.853 4.319 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.645 5.596 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.608 5.314 -5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.716 5.838 -6.704 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.756 6.387 -3.332 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.947 6.141 -2.162 1.00 0.00 C ATOM 1156 C GLY A 74 -24.648 6.925 -2.167 1.00 0.00 C ATOM 1157 O GLY A 74 -24.371 7.675 -3.104 1.00 0.00 O ATOM 0 H GLY A 74 -26.310 6.945 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.518 6.400 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.723 5.076 -2.099 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.853 6.751 -1.115 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.581 7.456 -0.994 1.00 0.00 C ATOM 1163 C GLN A 75 -21.447 6.504 -0.618 1.00 0.00 C ATOM 1164 O GLN A 75 -21.600 5.657 0.261 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.690 8.568 0.052 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.767 9.595 -0.263 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.530 10.305 -1.580 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.388 10.496 -2.000 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -24.611 10.700 -2.242 1.00 0.00 N ATOM 0 H GLN A 75 -24.067 6.129 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.351 7.892 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.898 8.122 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.728 9.075 0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -24.738 9.100 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -23.807 10.331 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -25.538 10.521 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.514 11.182 -3.135 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.310 6.650 -1.296 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.146 5.811 -1.024 1.00 0.00 C ATOM 1180 C VAL A 76 -18.060 6.606 -0.308 1.00 0.00 C ATOM 1181 O VAL A 76 -17.409 7.462 -0.908 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.555 5.209 -2.311 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.448 4.222 -1.971 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.642 4.538 -3.137 1.00 0.00 C ATOM 0 H VAL A 76 -20.171 7.339 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.492 4.998 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.127 6.015 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.039 3.804 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.658 4.736 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.853 3.419 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.204 4.119 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.102 3.741 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.400 5.273 -3.407 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.870 6.325 0.975 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.846 7.011 1.757 1.00 0.00 C ATOM 1196 C GLU A 77 -15.448 6.539 1.347 1.00 0.00 C ATOM 1197 O GLU A 77 -14.856 5.686 2.004 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.075 6.767 3.252 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.954 7.283 4.140 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.189 6.981 5.608 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.090 7.606 6.205 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.471 6.121 6.160 1.00 0.00 O ATOM 0 H GLU A 77 -18.407 5.631 1.495 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.917 8.081 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.009 7.244 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.196 5.697 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.011 6.835 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.855 8.360 4.005 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.932 7.093 0.250 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.606 6.724 -0.248 1.00 0.00 C ATOM 1211 C ILE A 78 -12.541 7.697 0.247 1.00 0.00 C ATOM 1212 O ILE A 78 -12.810 8.887 0.411 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.585 6.673 -1.794 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.220 5.373 -2.283 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.167 6.808 -2.333 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.577 4.129 -1.707 1.00 0.00 C ATOM 0 H ILE A 78 -15.411 7.798 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.381 5.730 0.140 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.165 7.516 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.279 5.377 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.157 5.334 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.186 6.768 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.745 7.760 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.553 5.992 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.080 3.245 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.524 4.101 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.664 4.144 -0.621 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.331 7.187 0.484 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.245 8.029 0.972 1.00 0.00 C ATOM 1230 C LYS A 79 -8.896 7.320 0.960 1.00 0.00 C ATOM 1231 O LYS A 79 -7.909 7.861 0.459 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.546 8.515 2.397 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.727 7.404 3.430 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.915 6.515 3.128 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.212 5.594 4.294 1.00 0.00 C ATOM 1236 NZ LYS A 79 -10.975 5.007 4.874 1.00 0.00 N ATOM 0 H LYS A 79 -11.083 6.207 0.347 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.180 8.876 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.734 9.165 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.451 9.122 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.823 6.796 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.852 7.848 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.789 7.130 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.714 5.924 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.746 6.148 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.872 4.792 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.227 4.371 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.469 4.470 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.363 5.769 5.230 1.00 0.00 H new ATOM 1250 N THR A 80 -8.852 6.115 1.507 1.00 0.00 N ATOM 1251 CA THR A 80 -7.603 5.369 1.596 1.00 0.00 C ATOM 1252 C THR A 80 -7.164 4.762 0.270 1.00 0.00 C ATOM 1253 O THR A 80 -6.307 3.878 0.253 1.00 0.00 O ATOM 1254 CB THR A 80 -7.700 4.259 2.652 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.674 3.284 2.256 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.082 4.851 3.997 1.00 0.00 C ATOM 0 H THR A 80 -9.663 5.633 1.895 1.00 0.00 H new ATOM 0 HA THR A 80 -6.847 6.098 1.888 1.00 0.00 H new ATOM 0 HB THR A 80 -6.728 3.774 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.455 3.344 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.148 4.055 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.325 5.573 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.047 5.351 3.914 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.734 5.227 -0.841 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.341 4.705 -2.151 1.00 0.00 C ATOM 1266 C ASP A 81 -7.516 3.193 -2.223 1.00 0.00 C ATOM 1267 O ASP A 81 -7.059 2.548 -3.166 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.874 5.025 -2.394 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.591 6.514 -2.418 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.346 7.090 -1.337 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.614 7.105 -3.519 1.00 0.00 O ATOM 0 H ASP A 81 -8.454 5.949 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.977 5.170 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.272 4.558 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.564 4.586 -3.342 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.177 2.644 -1.216 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.402 1.208 -1.128 1.00 0.00 C ATOM 1278 C LEU A 82 -7.060 0.485 -1.035 1.00 0.00 C ATOM 1279 O LEU A 82 -6.757 -0.382 -1.851 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.198 0.717 -2.339 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.616 1.285 -2.477 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.312 1.336 -1.124 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.580 2.668 -3.111 1.00 0.00 C ATOM 0 H LEU A 82 -8.571 3.177 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.983 0.991 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.639 0.962 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.265 -0.370 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.185 0.622 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.316 1.742 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.376 0.330 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.743 1.972 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.595 3.054 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.990 3.339 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.128 2.603 -4.101 1.00 0.00 H new ATOM 1295 N SER A 83 -6.267 0.840 -0.032 1.00 0.00 N ATOM 1296 CA SER A 83 -4.954 0.216 0.141 1.00 0.00 C ATOM 1297 C SER A 83 -4.949 -0.873 1.216 1.00 0.00 C ATOM 1298 O SER A 83 -4.119 -0.846 2.121 1.00 0.00 O ATOM 1299 CB SER A 83 -3.895 1.273 0.457 1.00 0.00 C ATOM 1300 OG SER A 83 -4.277 2.068 1.566 1.00 0.00 O ATOM 0 H SER A 83 -6.501 1.545 0.666 1.00 0.00 H new ATOM 0 HA SER A 83 -4.714 -0.269 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.943 0.786 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.742 1.910 -0.414 1.00 0.00 H new ATOM 0 HG SER A 83 -4.962 2.711 1.287 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.866 -1.835 1.094 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.959 -2.963 2.030 1.00 0.00 C ATOM 1308 C PHE A 84 -6.053 -2.520 3.491 1.00 0.00 C ATOM 1309 O PHE A 84 -5.327 -1.636 3.941 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.753 -3.890 1.857 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.707 -5.010 2.858 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.516 -6.125 2.707 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.856 -4.946 3.950 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.476 -7.156 3.628 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.812 -5.974 4.873 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.624 -7.080 4.713 1.00 0.00 C ATOM 0 H PHE A 84 -6.562 -1.857 0.349 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.882 -3.491 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.771 -4.312 0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.839 -3.302 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.185 -6.190 1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.220 -4.083 4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.111 -8.020 3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.143 -5.913 5.719 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.593 -7.883 5.434 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.957 -3.152 4.233 1.00 0.00 N ATOM 1327 CA GLY A 85 -7.113 -2.831 5.639 1.00 0.00 C ATOM 1328 C GLY A 85 -7.813 -1.511 5.861 1.00 0.00 C ATOM 1329 O GLY A 85 -7.340 -0.672 6.627 1.00 0.00 O ATOM 0 H GLY A 85 -7.583 -3.879 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.678 -3.624 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.131 -2.801 6.112 1.00 0.00 H new ATOM 1333 N SER A 86 -8.944 -1.321 5.190 1.00 0.00 N ATOM 1334 CA SER A 86 -9.704 -0.089 5.330 1.00 0.00 C ATOM 1335 C SER A 86 -11.199 -0.337 5.216 1.00 0.00 C ATOM 1336 O SER A 86 -11.646 -1.254 4.528 1.00 0.00 O ATOM 1337 CB SER A 86 -9.267 0.939 4.287 1.00 0.00 C ATOM 1338 OG SER A 86 -9.344 0.405 2.978 1.00 0.00 O ATOM 0 H SER A 86 -9.351 -2.001 4.548 1.00 0.00 H new ATOM 0 HA SER A 86 -9.500 0.305 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.898 1.825 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.245 1.258 4.493 1.00 0.00 H new ATOM 0 HG SER A 86 -9.181 1.117 2.324 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.958 0.500 5.905 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.407 0.400 5.902 1.00 0.00 C ATOM 1346 C GLN A 87 -14.021 1.627 5.231 1.00 0.00 C ATOM 1347 O GLN A 87 -13.640 2.762 5.519 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.927 0.236 7.334 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.401 0.573 7.499 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.614 1.980 8.021 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.646 2.285 8.618 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.623 2.840 7.815 1.00 0.00 N ATOM 0 H GLN A 87 -11.591 1.261 6.477 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.702 -0.480 5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.762 -0.793 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.343 0.874 7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.906 0.463 6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.860 -0.140 8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.785 2.543 7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.700 3.798 8.157 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.949 1.392 4.310 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.615 2.480 3.606 1.00 0.00 C ATOM 1363 C ILE A 88 -17.128 2.301 3.649 1.00 0.00 C ATOM 1364 O ILE A 88 -17.712 1.581 2.839 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.133 2.600 2.144 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.267 1.267 1.410 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.689 3.079 2.112 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.891 1.343 -0.053 1.00 0.00 C ATOM 0 H ILE A 88 -15.256 0.459 4.034 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.352 3.405 4.118 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.763 3.329 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.636 0.526 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.296 0.916 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.356 3.161 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.618 4.054 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.057 2.366 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.010 0.361 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.538 2.060 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.853 1.663 -0.146 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.754 2.961 4.617 1.00 0.00 N ATOM 1381 CA GLU A 89 -19.198 2.874 4.801 1.00 0.00 C ATOM 1382 C GLU A 89 -19.947 3.301 3.545 1.00 0.00 C ATOM 1383 O GLU A 89 -19.356 3.797 2.586 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.646 3.750 5.974 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.563 3.988 7.009 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.046 4.817 8.182 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.750 4.262 9.051 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.721 6.023 8.231 1.00 0.00 O ATOM 0 H GLU A 89 -17.281 3.565 5.289 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.434 1.831 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.985 4.712 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.502 3.281 6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.198 3.028 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.719 4.491 6.537 1.00 0.00 H new ATOM 1395 N PHE A 90 -21.255 3.098 3.570 1.00 0.00 N ATOM 1396 CA PHE A 90 -22.120 3.460 2.458 1.00 0.00 C ATOM 1397 C PHE A 90 -23.381 4.124 3.000 1.00 0.00 C ATOM 1398 O PHE A 90 -23.885 3.728 4.050 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.488 2.217 1.649 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.311 1.362 1.266 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.628 1.580 0.076 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.898 0.326 2.092 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.557 0.783 -0.280 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.829 -0.474 1.738 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.158 -0.246 0.551 1.00 0.00 C ATOM 0 H PHE A 90 -21.746 2.679 4.360 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.595 4.155 1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.188 1.614 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -23.008 2.527 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.938 2.382 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.418 0.143 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.033 0.964 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.517 -1.278 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.323 -0.872 0.274 1.00 0.00 H new ATOM 1415 N SER A 91 -23.894 5.135 2.303 1.00 0.00 N ATOM 1416 CA SER A 91 -25.089 5.833 2.761 1.00 0.00 C ATOM 1417 C SER A 91 -26.137 5.971 1.664 1.00 0.00 C ATOM 1418 O SER A 91 -25.912 6.624 0.647 1.00 0.00 O ATOM 1419 CB SER A 91 -24.721 7.218 3.293 1.00 0.00 C ATOM 1420 OG SER A 91 -23.855 7.123 4.411 1.00 0.00 O ATOM 0 H SER A 91 -23.505 5.485 1.428 1.00 0.00 H new ATOM 0 HA SER A 91 -25.522 5.231 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.240 7.797 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.627 7.755 3.576 1.00 0.00 H new ATOM 0 HG SER A 91 -23.634 8.023 4.731 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.288 5.355 1.898 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.372 5.441 0.926 1.00 0.00 C ATOM 1428 C CYS A 92 -29.077 6.788 1.084 1.00 0.00 C ATOM 1429 O CYS A 92 -29.460 7.175 2.188 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.356 4.276 1.070 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.659 2.647 0.622 1.00 0.00 S ATOM 0 H CYS A 92 -27.494 4.803 2.731 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.953 5.369 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.707 4.237 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.227 4.471 0.444 1.00 0.00 H new ATOM 1436 N SER A 93 -29.222 7.498 -0.032 1.00 0.00 N ATOM 1437 CA SER A 93 -29.837 8.831 -0.061 1.00 0.00 C ATOM 1438 C SER A 93 -31.123 8.950 0.762 1.00 0.00 C ATOM 1439 O SER A 93 -31.619 7.983 1.334 1.00 0.00 O ATOM 1440 CB SER A 93 -30.136 9.235 -1.505 1.00 0.00 C ATOM 1441 OG SER A 93 -28.940 9.438 -2.237 1.00 0.00 O ATOM 0 H SER A 93 -28.917 7.168 -0.947 1.00 0.00 H new ATOM 0 HA SER A 93 -29.108 9.500 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.733 8.460 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.731 10.148 -1.514 1.00 0.00 H new ATOM 0 HG SER A 93 -29.159 9.694 -3.157 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.644 10.178 0.790 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.870 10.525 1.509 1.00 0.00 C ATOM 1449 C GLU A 94 -33.943 9.446 1.419 1.00 0.00 C ATOM 1450 O GLU A 94 -34.156 8.698 2.374 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.416 11.856 0.981 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.840 12.154 1.421 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.249 13.587 1.148 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.628 13.887 -0.004 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.193 14.410 2.085 1.00 0.00 O ATOM 0 H GLU A 94 -31.220 10.970 0.307 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.608 10.615 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.766 12.664 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.377 11.847 -0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.524 11.481 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.937 11.950 2.487 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.623 9.374 0.287 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.698 8.410 0.124 1.00 0.00 C ATOM 1464 C GLY A 95 -35.223 6.979 0.011 1.00 0.00 C ATOM 1465 O GLY A 95 -35.875 6.167 -0.640 1.00 0.00 O ATOM 0 H GLY A 95 -34.452 9.966 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.378 8.491 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.270 8.665 -0.768 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.108 6.658 0.651 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.577 5.296 0.610 1.00 0.00 C ATOM 1471 C PHE A 96 -32.742 4.980 1.849 1.00 0.00 C ATOM 1472 O PHE A 96 -32.250 5.875 2.534 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.706 5.105 -0.642 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.366 5.545 -1.920 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.232 4.701 -2.592 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.131 6.810 -2.438 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.852 5.105 -3.758 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.746 7.219 -3.606 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.609 6.367 -4.266 1.00 0.00 C ATOM 0 H PHE A 96 -33.554 7.314 1.202 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.428 4.615 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.778 5.662 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.437 4.052 -0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.426 3.714 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.461 7.482 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.526 4.436 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.552 8.205 -4.002 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.093 6.686 -5.177 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.604 3.686 2.129 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.814 3.218 3.260 1.00 0.00 C ATOM 1491 C PHE A 97 -30.883 2.104 2.809 1.00 0.00 C ATOM 1492 O PHE A 97 -31.029 1.558 1.716 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.712 2.763 4.418 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.656 1.645 4.080 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.863 1.905 3.452 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -33.346 0.336 4.413 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.741 0.879 3.155 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -34.222 -0.693 4.122 1.00 0.00 C ATOM 1499 CZ PHE A 97 -35.420 -0.421 3.492 1.00 0.00 C ATOM 0 H PHE A 97 -33.034 2.940 1.582 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.211 4.046 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.079 2.447 5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.292 3.617 4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -35.121 2.921 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.410 0.117 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.677 1.094 2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.969 -1.709 4.387 1.00 0.00 H new ATOM 0 HZ PHE A 97 -36.105 -1.224 3.263 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.940 1.763 3.676 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.947 0.752 3.347 1.00 0.00 C ATOM 1511 C LEU A 98 -29.384 -0.657 3.716 1.00 0.00 C ATOM 1512 O LEU A 98 -30.044 -0.885 4.730 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.622 1.071 4.029 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.428 0.288 3.487 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.155 1.098 3.637 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.302 -1.051 4.191 1.00 0.00 C ATOM 0 H LEU A 98 -29.842 2.169 4.607 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.828 0.778 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.420 2.137 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.719 0.870 5.096 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.591 0.097 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.312 0.527 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.250 2.031 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.986 1.319 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.446 -1.593 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.161 -0.888 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -27.209 -1.634 4.029 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.990 -1.594 2.861 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.264 -3.020 3.023 1.00 0.00 C ATOM 1530 C ILE A 99 -28.224 -3.793 2.234 1.00 0.00 C ATOM 1531 O ILE A 99 -28.458 -4.256 1.119 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.649 -3.415 2.473 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.649 -2.280 2.656 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.146 -4.684 3.148 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.832 -2.362 1.716 1.00 0.00 C ATOM 0 H ILE A 99 -28.459 -1.380 2.017 1.00 0.00 H new ATOM 0 HA ILE A 99 -29.237 -3.247 4.089 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.551 -3.608 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -32.011 -2.287 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -31.139 -1.329 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.125 -4.949 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.444 -5.496 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.226 -4.517 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.503 -1.523 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.481 -2.324 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.366 -3.297 1.884 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.061 -3.912 2.859 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.933 -4.601 2.272 1.00 0.00 C ATOM 1549 C GLY A 100 -24.662 -4.316 3.041 1.00 0.00 C ATOM 1550 O GLY A 100 -23.652 -3.923 2.462 1.00 0.00 O ATOM 0 H GLY A 100 -26.878 -3.531 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.123 -5.674 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.812 -4.289 1.235 1.00 0.00 H new ATOM 1554 N SER A 101 -24.731 -4.507 4.352 1.00 0.00 N ATOM 1555 CA SER A 101 -23.598 -4.260 5.240 1.00 0.00 C ATOM 1556 C SER A 101 -23.089 -2.829 5.074 1.00 0.00 C ATOM 1557 O SER A 101 -22.426 -2.503 4.090 1.00 0.00 O ATOM 1558 CB SER A 101 -22.471 -5.266 4.980 1.00 0.00 C ATOM 1559 OG SER A 101 -21.837 -5.028 3.737 1.00 0.00 O ATOM 0 H SER A 101 -25.570 -4.836 4.830 1.00 0.00 H new ATOM 0 HA SER A 101 -23.937 -4.389 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.735 -5.205 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.875 -6.278 4.995 1.00 0.00 H new ATOM 0 HG SER A 101 -22.184 -4.199 3.346 1.00 0.00 H new ATOM 1565 N THR A 102 -23.401 -1.978 6.049 1.00 0.00 N ATOM 1566 CA THR A 102 -22.991 -0.578 6.003 1.00 0.00 C ATOM 1567 C THR A 102 -21.482 -0.435 6.064 1.00 0.00 C ATOM 1568 O THR A 102 -20.954 0.672 5.961 1.00 0.00 O ATOM 1569 CB THR A 102 -23.615 0.240 7.153 1.00 0.00 C ATOM 1570 OG1 THR A 102 -23.210 -0.304 8.415 1.00 0.00 O ATOM 1571 CG2 THR A 102 -25.133 0.243 7.062 1.00 0.00 C ATOM 0 H THR A 102 -23.936 -2.234 6.879 1.00 0.00 H new ATOM 0 HA THR A 102 -23.351 -0.188 5.051 1.00 0.00 H new ATOM 0 HB THR A 102 -23.263 1.268 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.608 0.221 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.546 0.827 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.440 0.685 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.503 -0.780 7.122 1.00 0.00 H new ATOM 1579 N THR A 103 -20.789 -1.546 6.232 1.00 0.00 N ATOM 1580 CA THR A 103 -19.348 -1.517 6.290 1.00 0.00 C ATOM 1581 C THR A 103 -18.757 -2.369 5.186 1.00 0.00 C ATOM 1582 O THR A 103 -19.409 -3.277 4.670 1.00 0.00 O ATOM 1583 CB THR A 103 -18.835 -1.977 7.653 1.00 0.00 C ATOM 1584 OG1 THR A 103 -19.500 -3.181 8.056 1.00 0.00 O ATOM 1585 CG2 THR A 103 -19.052 -0.887 8.687 1.00 0.00 C ATOM 0 H THR A 103 -21.202 -2.473 6.330 1.00 0.00 H new ATOM 0 HA THR A 103 -19.029 -0.485 6.146 1.00 0.00 H new ATOM 0 HB THR A 103 -17.767 -2.180 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 103 -19.160 -3.465 8.930 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.683 -1.225 9.655 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.513 0.012 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.116 -0.664 8.762 1.00 0.00 H new ATOM 1593 N SER A 104 -17.521 -2.070 4.825 1.00 0.00 N ATOM 1594 CA SER A 104 -16.810 -2.825 3.815 1.00 0.00 C ATOM 1595 C SER A 104 -15.329 -2.841 4.167 1.00 0.00 C ATOM 1596 O SER A 104 -14.672 -1.800 4.178 1.00 0.00 O ATOM 1597 CB SER A 104 -17.031 -2.218 2.431 1.00 0.00 C ATOM 1598 OG SER A 104 -16.750 -0.834 2.437 1.00 0.00 O ATOM 0 H SER A 104 -16.986 -1.299 5.224 1.00 0.00 H new ATOM 0 HA SER A 104 -17.189 -3.847 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.393 -2.720 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 104 -18.062 -2.382 2.118 1.00 0.00 H new ATOM 0 HG SER A 104 -17.574 -0.332 2.265 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.806 -4.026 4.451 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.405 -4.186 4.829 1.00 0.00 C ATOM 1606 C ARG A 105 -12.570 -4.715 3.674 1.00 0.00 C ATOM 1607 O ARG A 105 -13.084 -5.368 2.767 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.277 -5.139 6.018 1.00 0.00 C ATOM 1609 CG ARG A 105 -14.000 -4.667 7.266 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.697 -5.571 8.451 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.075 -6.956 8.187 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.851 -7.958 9.033 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.252 -7.732 10.195 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.227 -9.190 8.716 1.00 0.00 N ATOM 0 H ARG A 105 -15.334 -4.898 4.427 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.031 -3.200 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.667 -6.116 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.221 -5.273 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.700 -3.645 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -15.074 -4.650 7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.633 -5.522 8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.231 -5.210 9.330 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.538 -7.168 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.961 -6.786 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.083 -8.504 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.688 -9.369 7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.055 -9.958 9.364 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.276 -4.439 3.726 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.359 -4.886 2.691 1.00 0.00 C ATOM 1630 C CYS A 106 -9.537 -6.076 3.164 1.00 0.00 C ATOM 1631 O CYS A 106 -8.739 -5.968 4.095 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.430 -3.746 2.274 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.860 -2.986 0.676 1.00 0.00 S ATOM 0 H CYS A 106 -10.837 -3.906 4.477 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.952 -5.197 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.446 -2.977 3.046 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.409 -4.124 2.222 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.742 -7.212 2.512 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.039 -8.438 2.861 1.00 0.00 C ATOM 1640 C GLU A 107 -8.417 -9.038 1.611 1.00 0.00 C ATOM 1641 O GLU A 107 -8.436 -8.417 0.552 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.006 -9.437 3.507 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.321 -10.488 4.366 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.545 -9.882 5.519 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -7.352 -9.562 5.329 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -9.129 -9.727 6.612 1.00 0.00 O ATOM 0 H GLU A 107 -10.394 -7.310 1.734 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.251 -8.209 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.722 -8.890 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.575 -9.937 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.070 -11.176 4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.644 -11.074 3.745 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.838 -10.224 1.740 1.00 0.00 N ATOM 1654 CA VAL A 108 -7.225 -10.895 0.604 1.00 0.00 C ATOM 1655 C VAL A 108 -7.863 -12.269 0.377 1.00 0.00 C ATOM 1656 O VAL A 108 -8.537 -12.807 1.256 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.696 -10.999 0.777 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -5.052 -11.742 -0.384 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -5.106 -9.604 0.895 1.00 0.00 C ATOM 0 H VAL A 108 -7.780 -10.740 2.618 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.409 -10.294 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.491 -11.565 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.975 -11.796 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.461 -12.751 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.258 -11.212 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.025 -9.675 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.332 -9.036 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.537 -9.099 1.760 1.00 0.00 H new ATOM 1669 N GLN A 109 -7.639 -12.828 -0.808 1.00 0.00 N ATOM 1670 CA GLN A 109 -8.225 -14.124 -1.149 1.00 0.00 C ATOM 1671 C GLN A 109 -7.517 -14.762 -2.334 1.00 0.00 C ATOM 1672 O GLN A 109 -8.123 -15.504 -3.108 1.00 0.00 O ATOM 1673 CB GLN A 109 -9.722 -13.982 -1.434 1.00 0.00 C ATOM 1674 CG GLN A 109 -10.050 -12.945 -2.494 1.00 0.00 C ATOM 1675 CD GLN A 109 -11.538 -12.857 -2.777 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -12.247 -12.048 -1.994 1.00 0.00 O flip ATOM 1677 NE2 GLN A 109 -12.048 -13.516 -3.684 1.00 0.00 N flip ATOM 0 H GLN A 109 -7.064 -12.412 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 109 -8.094 -14.781 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.115 -14.948 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.235 -13.717 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.687 -11.970 -2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.522 -13.191 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.467 -14.124 -4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -13.051 -13.453 -3.858 1.00 0.00 H new ATOM 1686 N ASP A 110 -6.224 -14.486 -2.445 1.00 0.00 N ATOM 1687 CA ASP A 110 -5.399 -15.021 -3.523 1.00 0.00 C ATOM 1688 C ASP A 110 -4.014 -14.386 -3.496 1.00 0.00 C ATOM 1689 O ASP A 110 -3.112 -14.861 -2.806 1.00 0.00 O ATOM 1690 CB ASP A 110 -6.061 -14.779 -4.884 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.280 -15.398 -6.028 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -5.510 -16.588 -6.329 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.441 -14.691 -6.624 1.00 0.00 O ATOM 0 H ASP A 110 -5.718 -13.887 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 110 -5.298 -16.096 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.070 -15.191 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.157 -13.706 -5.052 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.866 -13.305 -4.246 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.611 -12.574 -4.325 1.00 0.00 C ATOM 1700 C ARG A 111 -2.885 -11.113 -4.647 1.00 0.00 C ATOM 1701 O ARG A 111 -2.014 -10.256 -4.505 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.695 -13.178 -5.388 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.227 -14.593 -5.078 1.00 0.00 C ATOM 1704 CD ARG A 111 0.009 -14.598 -4.190 1.00 0.00 C ATOM 1705 NE ARG A 111 -0.255 -14.035 -2.868 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.691 -13.819 -1.959 1.00 0.00 C ATOM 1707 NH1 ARG A 111 1.957 -14.106 -2.232 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.373 -13.312 -0.776 1.00 0.00 N ATOM 0 H ARG A 111 -4.613 -12.910 -4.817 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.109 -12.645 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.219 -13.182 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.822 -12.536 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.030 -15.142 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.008 -15.115 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.371 -15.620 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.803 -14.028 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.217 -13.795 -2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.207 -14.494 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.680 -13.939 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.599 -13.087 -0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.100 -13.147 -0.080 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.110 -10.843 -5.086 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.501 -9.491 -5.422 1.00 0.00 C ATOM 1724 C GLY A 112 -5.567 -8.958 -4.494 1.00 0.00 C ATOM 1725 O GLY A 112 -6.350 -8.086 -4.868 1.00 0.00 O ATOM 0 H GLY A 112 -4.841 -11.543 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.627 -8.841 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.869 -9.465 -6.448 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.579 -9.487 -3.272 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.535 -9.082 -2.241 1.00 0.00 C ATOM 1731 C VAL A 113 -7.987 -9.206 -2.701 1.00 0.00 C ATOM 1732 O VAL A 113 -8.313 -9.070 -3.879 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.266 -7.645 -1.716 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.112 -7.003 -2.449 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -7.504 -6.774 -1.815 1.00 0.00 C ATOM 0 H VAL A 113 -4.926 -10.209 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.383 -9.781 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.999 -7.733 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.948 -5.998 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.212 -7.600 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.343 -6.947 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.278 -5.776 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.819 -6.706 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.306 -7.213 -1.221 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.843 -9.475 -1.729 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.245 -9.622 -2.042 1.00 0.00 C ATOM 1747 C GLY A 114 -11.114 -8.579 -1.366 1.00 0.00 C ATOM 1748 O GLY A 114 -10.823 -8.160 -0.246 1.00 0.00 O ATOM 0 H GLY A 114 -8.597 -9.592 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.380 -9.555 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.577 -10.615 -1.740 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.186 -8.158 -2.028 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.099 -7.179 -1.449 1.00 0.00 C ATOM 1754 C TRP A 115 -14.179 -7.887 -0.642 1.00 0.00 C ATOM 1755 O TRP A 115 -14.809 -8.828 -1.124 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.759 -6.315 -2.528 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.506 -4.848 -2.358 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.034 -3.988 -3.303 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.710 -4.068 -1.173 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.936 -2.720 -2.783 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.344 -2.744 -1.478 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -14.167 -4.359 0.114 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.422 -1.714 -0.544 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.244 -3.337 1.039 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.873 -2.029 0.707 1.00 0.00 C ATOM 0 H TRP A 115 -12.444 -8.477 -2.962 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.514 -6.528 -0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.393 -6.628 -3.506 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.834 -6.494 -2.518 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.774 -4.263 -4.315 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.612 -1.895 -3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.455 -5.365 0.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.137 -0.704 -0.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.597 -3.551 2.037 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.945 -1.253 1.455 1.00 0.00 H new ATOM 1776 N SER A 116 -14.392 -7.431 0.585 1.00 0.00 N ATOM 1777 CA SER A 116 -15.400 -8.030 1.448 1.00 0.00 C ATOM 1778 C SER A 116 -16.805 -7.774 0.909 1.00 0.00 C ATOM 1779 O SER A 116 -17.639 -8.680 0.872 1.00 0.00 O ATOM 1780 CB SER A 116 -15.279 -7.481 2.871 1.00 0.00 C ATOM 1781 OG SER A 116 -14.021 -7.808 3.439 1.00 0.00 O ATOM 0 H SER A 116 -13.883 -6.652 1.003 1.00 0.00 H new ATOM 0 HA SER A 116 -15.229 -9.106 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.406 -6.398 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.078 -7.888 3.490 1.00 0.00 H new ATOM 0 HG SER A 116 -13.405 -7.055 3.324 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.063 -6.535 0.487 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.374 -6.169 -0.045 1.00 0.00 C ATOM 1789 C HIS A 117 -18.357 -4.766 -0.651 1.00 0.00 C ATOM 1790 O HIS A 117 -17.795 -3.838 -0.069 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.431 -6.236 1.060 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.833 -6.090 0.556 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.484 -4.877 0.476 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.711 -7.014 0.095 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.698 -5.060 -0.010 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.861 -6.348 -0.250 1.00 0.00 N ATOM 0 H HIS A 117 -16.385 -5.773 0.503 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.622 -6.881 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.339 -7.188 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.232 -5.451 1.790 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -21.089 -3.977 0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.538 -8.077 0.014 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.433 -4.287 -0.182 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.975 -4.597 -1.835 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.046 -3.317 -2.521 1.00 0.00 C ATOM 1807 C PRO A 118 -20.338 -2.563 -2.198 1.00 0.00 C ATOM 1808 O PRO A 118 -20.937 -2.767 -1.143 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.026 -3.737 -3.988 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.673 -5.091 -4.021 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.649 -5.644 -2.613 1.00 0.00 C ATOM 0 HA PRO A 118 -18.243 -2.637 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.571 -3.025 -4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.006 -3.779 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.697 -5.017 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.139 -5.754 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.656 -5.833 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.108 -6.589 -2.564 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.749 -1.681 -3.110 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.975 -0.906 -2.951 1.00 0.00 C ATOM 1821 C LEU A 119 -23.123 -1.795 -2.469 1.00 0.00 C ATOM 1822 O LEU A 119 -23.384 -2.849 -3.049 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.353 -0.257 -4.284 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.184 0.210 -5.159 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.106 0.877 -4.318 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.613 -0.949 -5.965 1.00 0.00 C ATOM 0 H LEU A 119 -20.243 -1.486 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.798 -0.133 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.948 -0.969 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.993 0.601 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.564 0.952 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.288 1.199 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.527 1.743 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.729 0.168 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.785 -0.593 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.255 -1.723 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.390 -1.362 -6.609 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.825 -1.378 -1.400 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.949 -2.138 -0.846 1.00 0.00 C ATOM 1840 C PRO A 120 -26.217 -1.954 -1.669 1.00 0.00 C ATOM 1841 O PRO A 120 -26.165 -1.461 -2.796 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.120 -1.526 0.541 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.701 -0.108 0.364 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.586 -0.130 -0.649 1.00 0.00 C ATOM 0 HA PRO A 120 -24.765 -3.212 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.152 -1.597 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.502 -2.035 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.533 0.504 0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.363 0.320 1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.619 0.743 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.608 -0.132 -0.169 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.356 -2.349 -1.109 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.636 -2.225 -1.780 1.00 0.00 C ATOM 1854 C GLN A 121 -29.407 -1.021 -1.256 1.00 0.00 C ATOM 1855 O GLN A 121 -29.780 -0.981 -0.082 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.455 -3.490 -1.546 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.892 -4.726 -2.224 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.227 -4.785 -3.702 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.344 -3.755 -4.366 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -29.391 -5.996 -4.219 1.00 0.00 N ATOM 0 H GLN A 121 -27.413 -2.763 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.457 -2.087 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.520 -3.675 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.471 -3.324 -1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -27.809 -4.742 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.283 -5.616 -1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.284 -6.821 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -29.624 -6.102 -5.206 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.648 -0.040 -2.118 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.391 1.145 -1.715 1.00 0.00 C ATOM 1871 C CYS A 122 -31.827 1.071 -2.224 1.00 0.00 C ATOM 1872 O CYS A 122 -32.091 1.248 -3.413 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.708 2.415 -2.222 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.168 2.842 -1.338 1.00 0.00 S ATOM 0 H CYS A 122 -29.343 -0.042 -3.091 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.409 1.182 -0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.484 2.295 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.406 3.248 -2.136 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.747 0.804 -1.303 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.166 0.697 -1.618 1.00 0.00 C ATOM 1881 C GLU A 123 -34.939 1.762 -0.854 1.00 0.00 C ATOM 1882 O GLU A 123 -34.645 2.061 0.305 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.689 -0.691 -1.244 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.162 -0.892 -1.560 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.666 -2.260 -1.145 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -37.077 -2.412 0.024 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.649 -3.179 -1.992 1.00 0.00 O ATOM 0 H GLU A 123 -32.529 0.656 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.304 0.846 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.106 -1.445 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.529 -0.855 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.747 -0.124 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.322 -0.759 -2.630 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.936 2.324 -1.528 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.760 3.381 -0.962 1.00 0.00 C ATOM 1896 C ILE A 124 -37.394 2.969 0.361 1.00 0.00 C ATOM 1897 O ILE A 124 -37.718 1.800 0.574 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.867 3.808 -1.946 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.581 5.058 -1.433 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.857 2.670 -2.156 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.448 5.732 -2.472 1.00 0.00 C ATOM 0 H ILE A 124 -36.194 2.060 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.095 4.224 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.409 4.045 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.199 4.787 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.837 5.770 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.633 2.987 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.335 1.804 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.313 2.404 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.922 6.611 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.832 6.035 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.216 5.037 -2.812 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.565 3.945 1.245 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.167 3.710 2.550 1.00 0.00 C ATOM 1915 C LEU A 125 -39.577 4.288 2.601 1.00 0.00 C ATOM 1916 O LEU A 125 -39.810 5.416 2.169 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.302 4.321 3.657 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.294 5.376 3.196 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.994 6.695 2.905 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.206 5.564 4.243 1.00 0.00 C ATOM 0 H LEU A 125 -37.292 4.914 1.079 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.228 2.634 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.959 4.771 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -36.759 3.518 4.156 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.828 5.028 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.260 7.432 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.735 6.548 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.489 7.051 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.497 6.318 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -35.656 5.889 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -34.684 4.620 4.399 1.00 0.00 H new ATOM 1932 N GLU A 126 -40.514 3.501 3.128 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.908 3.922 3.233 1.00 0.00 C ATOM 1934 C GLU A 126 -42.523 4.112 1.849 1.00 0.00 C ATOM 1935 O GLU A 126 -42.216 5.078 1.151 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.024 5.219 4.038 1.00 0.00 C ATOM 1937 CG GLU A 126 -41.420 5.129 5.431 1.00 0.00 C ATOM 1938 CD GLU A 126 -41.996 3.990 6.247 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.125 4.139 6.761 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -41.320 2.947 6.370 1.00 0.00 O ATOM 0 H GLU A 126 -40.331 2.565 3.490 1.00 0.00 H new ATOM 0 HA GLU A 126 -42.455 3.136 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.532 6.022 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -43.076 5.490 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -40.341 5.000 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -41.589 6.069 5.957 1.00 0.00 H new ATOM 1947 N HIS A 127 -43.393 3.178 1.462 1.00 0.00 N ATOM 1948 CA HIS A 127 -44.061 3.230 0.163 1.00 0.00 C ATOM 1949 C HIS A 127 -43.060 3.051 -0.976 1.00 0.00 C ATOM 1950 O HIS A 127 -42.139 3.852 -1.141 1.00 0.00 O ATOM 1951 CB HIS A 127 -44.812 4.554 0.000 1.00 0.00 C ATOM 1952 CG HIS A 127 -45.834 4.796 1.066 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -45.608 5.611 2.156 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -47.095 4.323 1.209 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -46.684 5.629 2.922 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -47.599 4.856 2.369 1.00 0.00 N ATOM 0 H HIS A 127 -43.652 2.374 2.033 1.00 0.00 H new ATOM 0 HA HIS A 127 -44.778 2.410 0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -44.093 5.373 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -45.303 4.566 -0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -47.608 3.652 0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -46.796 6.182 3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -48.532 4.682 2.744 1.00 0.00 H new ATOM 1965 N HIS A 128 -43.250 1.994 -1.764 1.00 0.00 N ATOM 1966 CA HIS A 128 -42.364 1.709 -2.888 1.00 0.00 C ATOM 1967 C HIS A 128 -43.074 1.939 -4.220 1.00 0.00 C ATOM 1968 O HIS A 128 -44.212 2.409 -4.254 1.00 0.00 O ATOM 1969 CB HIS A 128 -41.846 0.271 -2.807 1.00 0.00 C ATOM 1970 CG HIS A 128 -42.929 -0.755 -2.677 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -43.178 -1.441 -1.506 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -43.824 -1.220 -3.580 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -44.178 -2.284 -1.695 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -44.588 -2.168 -2.945 1.00 0.00 N ATOM 0 H HIS A 128 -44.009 1.323 -1.644 1.00 0.00 H new ATOM 0 HA HIS A 128 -41.518 2.394 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -41.259 0.055 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -41.172 0.185 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -43.919 -0.904 -4.608 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -44.590 -2.953 -0.954 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -45.349 -2.697 -3.370 1.00 0.00 H new ATOM 1983 N HIS A 129 -42.394 1.602 -5.314 1.00 0.00 N ATOM 1984 CA HIS A 129 -42.955 1.780 -6.649 1.00 0.00 C ATOM 1985 C HIS A 129 -42.441 0.707 -7.606 1.00 0.00 C ATOM 1986 O HIS A 129 -41.339 0.184 -7.433 1.00 0.00 O ATOM 1987 CB HIS A 129 -42.605 3.173 -7.181 1.00 0.00 C ATOM 1988 CG HIS A 129 -43.176 3.469 -8.533 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -44.427 4.021 -8.718 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -42.656 3.297 -9.772 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -44.651 4.175 -10.012 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -43.592 3.744 -10.672 1.00 0.00 N ATOM 0 H HIS A 129 -41.455 1.205 -5.301 1.00 0.00 H new ATOM 0 HA HIS A 129 -44.039 1.683 -6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -42.964 3.921 -6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -41.520 3.272 -7.226 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -41.686 2.885 -10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -45.548 4.584 -10.454 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -43.486 3.743 -11.686 1.00 0.00 H new ATOM 2001 N HIS A 130 -43.246 0.383 -8.614 1.00 0.00 N ATOM 2002 CA HIS A 130 -42.875 -0.627 -9.598 1.00 0.00 C ATOM 2003 C HIS A 130 -42.201 0.009 -10.811 1.00 0.00 C ATOM 2004 O HIS A 130 -42.839 0.727 -11.581 1.00 0.00 O ATOM 2005 CB HIS A 130 -44.113 -1.410 -10.044 1.00 0.00 C ATOM 2006 CG HIS A 130 -44.847 -2.060 -8.914 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -45.862 -1.437 -8.219 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -44.709 -3.286 -8.355 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -46.315 -2.251 -7.282 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -45.632 -3.380 -7.345 1.00 0.00 N ATOM 0 H HIS A 130 -44.161 0.807 -8.770 1.00 0.00 H new ATOM 0 HA HIS A 130 -42.166 -1.309 -9.129 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -44.791 -0.735 -10.567 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -43.811 -2.176 -10.759 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -44.003 -4.048 -8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -47.109 -2.031 -6.583 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -45.769 -4.190 -6.741 1.00 0.00 H new ATOM 2019 N HIS A 131 -40.909 -0.260 -10.975 1.00 0.00 N ATOM 2020 CA HIS A 131 -40.152 0.284 -12.097 1.00 0.00 C ATOM 2021 C HIS A 131 -38.868 -0.509 -12.325 1.00 0.00 C ATOM 2022 O HIS A 131 -38.086 -0.198 -13.223 1.00 0.00 O ATOM 2023 CB HIS A 131 -39.819 1.758 -11.854 1.00 0.00 C ATOM 2024 CG HIS A 131 -38.899 1.987 -10.694 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -37.531 1.852 -10.780 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -39.159 2.352 -9.415 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -36.988 2.121 -9.605 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -37.954 2.428 -8.761 1.00 0.00 N ATOM 0 H HIS A 131 -40.365 -0.851 -10.346 1.00 0.00 H new ATOM 0 HA HIS A 131 -40.771 0.203 -12.990 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -39.363 2.171 -12.754 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -40.745 2.307 -11.685 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -40.132 2.547 -8.990 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -35.933 2.094 -9.375 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -37.827 2.681 -7.781 1.00 0.00 H new ATOM 2037 N HIS A 132 -38.658 -1.536 -11.506 1.00 0.00 N ATOM 2038 CA HIS A 132 -37.471 -2.375 -11.618 1.00 0.00 C ATOM 2039 C HIS A 132 -37.759 -3.613 -12.465 1.00 0.00 C ATOM 2040 O HIS A 132 -38.238 -4.619 -11.900 1.00 0.00 O ATOM 2041 CB HIS A 132 -36.981 -2.790 -10.228 1.00 0.00 C ATOM 2042 CG HIS A 132 -35.823 -3.740 -10.252 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -35.935 -5.070 -9.904 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -34.524 -3.547 -10.580 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -34.755 -5.653 -10.015 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -33.881 -4.752 -10.424 1.00 0.00 N ATOM 2047 OXT HIS A 132 -37.501 -3.564 -13.686 1.00 0.00 O ATOM 0 H HIS A 132 -39.296 -1.806 -10.757 1.00 0.00 H new ATOM 0 HA HIS A 132 -36.690 -1.796 -12.110 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -36.694 -1.897 -9.673 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -37.806 -3.252 -9.685 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -34.076 -2.619 -10.904 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -34.541 -6.691 -9.807 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -32.890 -4.922 -10.596 1.00 0.00 H new TER 2056 HIS A 132