USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 923 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 55 SER OG : rot 21:sc= 0.747 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.32 K(o=-0.57,f=-2.5!) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -2.51 K(o=-3.3,f=-5.2!) USER MOD Set 2.2: A 39 THR OG1 : rot -129:sc= -0.829 USER MOD Set 3.1: A 33 LYS NZ :NH3+ 161:sc= -0.0245 (180deg=-0.259) USER MOD Set 3.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 26 GLN : amide:sc= -0.732 K(o=-3.3,f=-6.6!) USER MOD Set 4.2: A 30 ASN : amide:sc= -2.57! C(o=-3.3!,f=-4.3!) USER MOD Set 5.1: A 23 MET CE :methyl -173:sc= -6.06! (180deg=-6.47!) USER MOD Set 5.2: A 28 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 82:sc= 1.27 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -15:sc= 1.29 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0757 USER MOD Single : A 22 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.52) USER MOD Single : A 27 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 162:sc= 1.47 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -1.51 (180deg=-2.19!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -2.39! (180deg=-3.77!) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -0.11 (180deg=-0.871) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.013) USER MOD Single : A 75 HIS : no HE2:sc= -2.05 X(o=-2.1,f=-1.6) USER MOD Single : A 77 THR OG1 : rot -45:sc= 0.547 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -100:sc= -0.619 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= -0.25 USER MOD Single : A 93 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1.4) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.53! C(o=-5.5!,f=-12!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.461 USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00254) USER MOD Single : A 100 SER OG : rot -126:sc= 0.116 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 26:sc= 0.0658 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.308 -33.087 1.103 1.00 0.00 N ATOM 2 CA GLY A 1 12.511 -31.924 1.447 1.00 0.00 C ATOM 3 C GLY A 1 11.642 -31.457 0.296 1.00 0.00 C ATOM 4 O GLY A 1 12.120 -31.296 -0.827 1.00 0.00 O ATOM 0 H1 GLY A 1 13.884 -33.367 1.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.680 -33.872 0.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.932 -32.856 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.879 -32.161 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.171 -31.112 1.753 1.00 0.00 H new ATOM 8 N SER A 2 10.361 -31.240 0.574 1.00 0.00 N ATOM 9 CA SER A 2 9.421 -30.794 -0.449 1.00 0.00 C ATOM 10 C SER A 2 9.577 -29.299 -0.715 1.00 0.00 C ATOM 11 O SER A 2 9.327 -28.472 0.160 1.00 0.00 O ATOM 12 CB SER A 2 7.985 -31.099 -0.020 1.00 0.00 C ATOM 13 OG SER A 2 7.691 -32.477 -0.165 1.00 0.00 O ATOM 0 H SER A 2 9.949 -31.366 1.499 1.00 0.00 H new ATOM 0 HA SER A 2 9.640 -31.335 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.841 -30.801 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.290 -30.511 -0.620 1.00 0.00 H new ATOM 0 HG SER A 2 6.768 -32.646 0.117 1.00 0.00 H new ATOM 19 N SER A 3 9.993 -28.963 -1.932 1.00 0.00 N ATOM 20 CA SER A 3 10.187 -27.569 -2.315 1.00 0.00 C ATOM 21 C SER A 3 8.847 -26.864 -2.495 1.00 0.00 C ATOM 22 O SER A 3 8.573 -25.852 -1.850 1.00 0.00 O ATOM 23 CB SER A 3 11.000 -27.481 -3.608 1.00 0.00 C ATOM 24 OG SER A 3 10.935 -26.179 -4.164 1.00 0.00 O ATOM 0 H SER A 3 10.202 -29.636 -2.669 1.00 0.00 H new ATOM 0 HA SER A 3 10.735 -27.071 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.039 -27.742 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.623 -28.207 -4.329 1.00 0.00 H new ATOM 0 HG SER A 3 11.464 -26.149 -4.989 1.00 0.00 H new ATOM 30 N GLY A 4 8.013 -27.406 -3.377 1.00 0.00 N ATOM 31 CA GLY A 4 6.711 -26.816 -3.626 1.00 0.00 C ATOM 32 C GLY A 4 6.123 -27.250 -4.956 1.00 0.00 C ATOM 33 O GLY A 4 6.776 -27.146 -5.993 1.00 0.00 O ATOM 0 H GLY A 4 8.216 -28.243 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.029 -27.095 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.798 -25.730 -3.608 1.00 0.00 H new ATOM 37 N SER A 5 4.887 -27.739 -4.923 1.00 0.00 N ATOM 38 CA SER A 5 4.214 -28.194 -6.133 1.00 0.00 C ATOM 39 C SER A 5 3.724 -27.011 -6.962 1.00 0.00 C ATOM 40 O SER A 5 3.924 -26.963 -8.176 1.00 0.00 O ATOM 41 CB SER A 5 3.036 -29.103 -5.776 1.00 0.00 C ATOM 42 OG SER A 5 3.465 -30.213 -5.005 1.00 0.00 O ATOM 0 H SER A 5 4.332 -27.830 -4.072 1.00 0.00 H new ATOM 0 HA SER A 5 4.933 -28.758 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.290 -28.536 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.554 -29.454 -6.688 1.00 0.00 H new ATOM 0 HG SER A 5 2.694 -30.778 -4.788 1.00 0.00 H new ATOM 48 N SER A 6 3.082 -26.056 -6.296 1.00 0.00 N ATOM 49 CA SER A 6 2.559 -24.874 -6.970 1.00 0.00 C ATOM 50 C SER A 6 3.618 -24.251 -7.875 1.00 0.00 C ATOM 51 O SER A 6 4.799 -24.585 -7.787 1.00 0.00 O ATOM 52 CB SER A 6 2.081 -23.845 -5.943 1.00 0.00 C ATOM 53 OG SER A 6 3.169 -23.327 -5.196 1.00 0.00 O ATOM 0 H SER A 6 2.912 -26.078 -5.291 1.00 0.00 H new ATOM 0 HA SER A 6 1.714 -25.182 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.565 -23.031 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.360 -24.307 -5.269 1.00 0.00 H new ATOM 0 HG SER A 6 2.838 -22.671 -4.548 1.00 0.00 H new ATOM 59 N GLY A 7 3.185 -23.345 -8.746 1.00 0.00 N ATOM 60 CA GLY A 7 4.107 -22.690 -9.655 1.00 0.00 C ATOM 61 C GLY A 7 3.397 -21.832 -10.683 1.00 0.00 C ATOM 62 O GLY A 7 2.698 -22.348 -11.556 1.00 0.00 O ATOM 0 H GLY A 7 2.212 -23.053 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.797 -22.070 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.705 -23.444 -10.167 1.00 0.00 H new ATOM 66 N SER A 8 3.573 -20.520 -10.579 1.00 0.00 N ATOM 67 CA SER A 8 2.938 -19.588 -11.504 1.00 0.00 C ATOM 68 C SER A 8 3.543 -18.193 -11.370 1.00 0.00 C ATOM 69 O SER A 8 4.417 -17.961 -10.535 1.00 0.00 O ATOM 70 CB SER A 8 1.430 -19.528 -11.248 1.00 0.00 C ATOM 71 OG SER A 8 1.152 -19.000 -9.963 1.00 0.00 O ATOM 0 H SER A 8 4.150 -20.077 -9.864 1.00 0.00 H new ATOM 0 HA SER A 8 3.113 -19.946 -12.518 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.953 -18.911 -12.009 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.003 -20.527 -11.334 1.00 0.00 H new ATOM 0 HG SER A 8 1.183 -18.021 -9.998 1.00 0.00 H new ATOM 77 N ARG A 9 3.071 -17.268 -12.199 1.00 0.00 N ATOM 78 CA ARG A 9 3.565 -15.896 -12.176 1.00 0.00 C ATOM 79 C ARG A 9 2.528 -14.955 -11.571 1.00 0.00 C ATOM 80 O ARG A 9 1.375 -14.927 -12.003 1.00 0.00 O ATOM 81 CB ARG A 9 3.923 -15.437 -13.590 1.00 0.00 C ATOM 82 CG ARG A 9 5.158 -16.120 -14.158 1.00 0.00 C ATOM 83 CD ARG A 9 6.430 -15.604 -13.504 1.00 0.00 C ATOM 84 NE ARG A 9 6.984 -14.455 -14.216 1.00 0.00 N ATOM 85 CZ ARG A 9 7.918 -13.658 -13.709 1.00 0.00 C ATOM 86 NH1 ARG A 9 8.399 -13.883 -12.495 1.00 0.00 N ATOM 87 NH2 ARG A 9 8.372 -12.632 -14.418 1.00 0.00 N ATOM 0 H ARG A 9 2.347 -17.444 -12.895 1.00 0.00 H new ATOM 0 HA ARG A 9 4.460 -15.869 -11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.077 -15.628 -14.250 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.085 -14.359 -13.583 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.081 -17.197 -14.008 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.206 -15.951 -15.234 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.219 -15.324 -12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.171 -16.403 -13.472 1.00 0.00 H new ATOM 0 HE ARG A 9 6.635 -14.254 -15.153 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.052 -14.670 -11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.116 -13.269 -12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.004 -12.455 -15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.089 -12.020 -14.028 1.00 0.00 H new ATOM 101 N GLU A 10 2.945 -14.188 -10.570 1.00 0.00 N ATOM 102 CA GLU A 10 2.051 -13.246 -9.905 1.00 0.00 C ATOM 103 C GLU A 10 2.439 -11.806 -10.229 1.00 0.00 C ATOM 104 O GLU A 10 3.510 -11.550 -10.781 1.00 0.00 O ATOM 105 CB GLU A 10 2.078 -13.465 -8.392 1.00 0.00 C ATOM 106 CG GLU A 10 1.551 -14.824 -7.963 1.00 0.00 C ATOM 107 CD GLU A 10 2.362 -15.971 -8.535 1.00 0.00 C ATOM 108 OE1 GLU A 10 3.389 -16.332 -7.924 1.00 0.00 O ATOM 109 OE2 GLU A 10 1.969 -16.506 -9.593 1.00 0.00 O ATOM 0 H GLU A 10 3.896 -14.200 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 10 1.040 -13.423 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.102 -13.353 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.486 -12.687 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.559 -14.886 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.513 -14.924 -8.281 1.00 0.00 H new ATOM 116 N ILE A 11 1.560 -10.871 -9.884 1.00 0.00 N ATOM 117 CA ILE A 11 1.810 -9.458 -10.137 1.00 0.00 C ATOM 118 C ILE A 11 3.029 -8.968 -9.363 1.00 0.00 C ATOM 119 O ILE A 11 3.192 -9.277 -8.182 1.00 0.00 O ATOM 120 CB ILE A 11 0.594 -8.594 -9.758 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.648 -9.061 -10.519 1.00 0.00 C ATOM 122 CG2 ILE A 11 0.875 -7.126 -10.044 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.949 -8.617 -9.885 1.00 0.00 C ATOM 0 H ILE A 11 0.669 -11.067 -9.429 1.00 0.00 H new ATOM 0 HA ILE A 11 1.997 -9.358 -11.206 1.00 0.00 H new ATOM 0 HB ILE A 11 0.407 -8.706 -8.690 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.603 -8.681 -11.540 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.637 -10.149 -10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.005 -6.529 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.737 -6.800 -9.461 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.085 -6.996 -11.106 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.787 -8.984 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.017 -9.019 -8.874 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.982 -7.528 -9.846 1.00 0.00 H new ATOM 135 N ASP A 12 3.881 -8.200 -10.034 1.00 0.00 N ATOM 136 CA ASP A 12 5.084 -7.665 -9.408 1.00 0.00 C ATOM 137 C ASP A 12 4.844 -6.249 -8.895 1.00 0.00 C ATOM 138 O ASP A 12 4.805 -5.294 -9.671 1.00 0.00 O ATOM 139 CB ASP A 12 6.247 -7.670 -10.402 1.00 0.00 C ATOM 140 CG ASP A 12 7.533 -7.151 -9.789 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.455 -6.378 -8.813 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.618 -7.517 -10.288 1.00 0.00 O ATOM 0 H ASP A 12 3.760 -7.934 -11.011 1.00 0.00 H new ATOM 0 HA ASP A 12 5.338 -8.302 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.405 -8.685 -10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.986 -7.058 -11.265 1.00 0.00 H new ATOM 147 N TYR A 13 4.684 -6.121 -7.581 1.00 0.00 N ATOM 148 CA TYR A 13 4.444 -4.822 -6.964 1.00 0.00 C ATOM 149 C TYR A 13 5.734 -4.010 -6.883 1.00 0.00 C ATOM 150 O TYR A 13 5.716 -2.783 -6.973 1.00 0.00 O ATOM 151 CB TYR A 13 3.851 -5.000 -5.566 1.00 0.00 C ATOM 152 CG TYR A 13 2.798 -6.081 -5.488 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.791 -6.167 -6.442 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.806 -7.016 -4.459 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.825 -7.153 -6.375 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.846 -8.005 -4.386 1.00 0.00 C ATOM 157 CZ TYR A 13 0.857 -8.069 -5.345 1.00 0.00 C ATOM 158 OH TYR A 13 -0.103 -9.053 -5.274 1.00 0.00 O ATOM 0 H TYR A 13 4.716 -6.901 -6.924 1.00 0.00 H new ATOM 0 HA TYR A 13 3.733 -4.278 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.654 -5.236 -4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.414 -4.055 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.763 -5.451 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.577 -6.968 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.050 -7.206 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.869 -8.725 -3.582 1.00 0.00 H new ATOM 0 HH TYR A 13 0.064 -9.616 -4.490 1.00 0.00 H new ATOM 168 N THR A 14 6.854 -4.707 -6.713 1.00 0.00 N ATOM 169 CA THR A 14 8.153 -4.054 -6.619 1.00 0.00 C ATOM 170 C THR A 14 8.561 -3.446 -7.956 1.00 0.00 C ATOM 171 O THR A 14 9.619 -2.830 -8.071 1.00 0.00 O ATOM 172 CB THR A 14 9.245 -5.040 -6.162 1.00 0.00 C ATOM 173 OG1 THR A 14 9.441 -6.050 -7.158 1.00 0.00 O ATOM 174 CG2 THR A 14 8.868 -5.691 -4.840 1.00 0.00 C ATOM 0 H THR A 14 6.887 -5.724 -6.638 1.00 0.00 H new ATOM 0 HA THR A 14 8.055 -3.261 -5.877 1.00 0.00 H new ATOM 0 HB THR A 14 10.171 -4.483 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.690 -6.038 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.654 -6.383 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.748 -4.922 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.931 -6.235 -4.957 1.00 0.00 H new ATOM 182 N ALA A 15 7.713 -3.622 -8.965 1.00 0.00 N ATOM 183 CA ALA A 15 7.984 -3.088 -10.293 1.00 0.00 C ATOM 184 C ALA A 15 7.489 -1.651 -10.418 1.00 0.00 C ATOM 185 O ALA A 15 8.002 -0.876 -11.226 1.00 0.00 O ATOM 186 CB ALA A 15 7.340 -3.964 -11.356 1.00 0.00 C ATOM 0 H ALA A 15 6.832 -4.131 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 15 9.064 -3.088 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.551 -3.553 -12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.745 -4.974 -11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.262 -3.994 -11.198 1.00 0.00 H new ATOM 192 N TYR A 16 6.492 -1.302 -9.615 1.00 0.00 N ATOM 193 CA TYR A 16 5.926 0.041 -9.638 1.00 0.00 C ATOM 194 C TYR A 16 6.796 1.013 -8.845 1.00 0.00 C ATOM 195 O TYR A 16 7.469 0.641 -7.884 1.00 0.00 O ATOM 196 CB TYR A 16 4.506 0.030 -9.069 1.00 0.00 C ATOM 197 CG TYR A 16 3.494 -0.626 -9.982 1.00 0.00 C ATOM 198 CD1 TYR A 16 2.975 0.051 -11.078 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.057 -1.924 -9.747 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.049 -0.544 -11.913 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.132 -2.527 -10.578 1.00 0.00 C ATOM 202 CZ TYR A 16 1.632 -1.834 -11.659 1.00 0.00 C ATOM 203 OH TYR A 16 0.711 -2.431 -12.489 1.00 0.00 O ATOM 0 H TYR A 16 6.058 -1.931 -8.939 1.00 0.00 H new ATOM 0 HA TYR A 16 5.892 0.375 -10.675 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.511 -0.491 -8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.194 1.056 -8.872 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.301 1.060 -11.281 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.447 -2.471 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.654 -0.002 -12.760 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.803 -3.537 -10.381 1.00 0.00 H new ATOM 0 HH TYR A 16 0.525 -3.339 -12.172 1.00 0.00 H new ATOM 213 N PRO A 17 6.780 2.289 -9.257 1.00 0.00 N ATOM 214 CA PRO A 17 7.561 3.342 -8.599 1.00 0.00 C ATOM 215 C PRO A 17 7.024 3.680 -7.211 1.00 0.00 C ATOM 216 O PRO A 17 7.780 4.066 -6.320 1.00 0.00 O ATOM 217 CB PRO A 17 7.404 4.540 -9.539 1.00 0.00 C ATOM 218 CG PRO A 17 6.119 4.296 -10.251 1.00 0.00 C ATOM 219 CD PRO A 17 6.001 2.803 -10.395 1.00 0.00 C ATOM 0 HA PRO A 17 8.596 3.042 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.377 5.478 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.238 4.607 -10.238 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.278 4.701 -9.688 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.115 4.783 -11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.962 2.476 -10.352 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.404 2.458 -11.347 1.00 0.00 H new ATOM 227 N TRP A 18 5.716 3.533 -7.036 1.00 0.00 N ATOM 228 CA TRP A 18 5.080 3.822 -5.757 1.00 0.00 C ATOM 229 C TRP A 18 5.355 2.713 -4.748 1.00 0.00 C ATOM 230 O TRP A 18 4.808 2.714 -3.645 1.00 0.00 O ATOM 231 CB TRP A 18 3.571 3.998 -5.943 1.00 0.00 C ATOM 232 CG TRP A 18 2.958 2.958 -6.831 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.474 3.143 -8.095 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.760 1.574 -6.523 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.988 1.957 -8.590 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.153 0.979 -7.645 1.00 0.00 C ATOM 237 CE3 TRP A 18 3.041 0.779 -5.408 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.820 -0.373 -7.683 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.710 -0.562 -5.446 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.106 -1.128 -6.578 1.00 0.00 C ATOM 0 H TRP A 18 5.076 3.215 -7.764 1.00 0.00 H new ATOM 0 HA TRP A 18 5.502 4.750 -5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.085 3.965 -4.968 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.376 4.985 -6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.473 4.083 -8.627 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.572 1.826 -9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.508 1.205 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.353 -0.810 -8.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.920 -1.185 -4.589 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.862 -2.180 -6.578 1.00 0.00 H new ATOM 251 N PHE A 19 6.205 1.767 -5.133 1.00 0.00 N ATOM 252 CA PHE A 19 6.551 0.651 -4.262 1.00 0.00 C ATOM 253 C PHE A 19 7.573 1.078 -3.211 1.00 0.00 C ATOM 254 O PHE A 19 8.594 1.682 -3.533 1.00 0.00 O ATOM 255 CB PHE A 19 7.107 -0.514 -5.085 1.00 0.00 C ATOM 256 CG PHE A 19 7.887 -1.506 -4.271 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.233 -2.457 -3.502 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.271 -1.489 -4.274 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.948 -3.371 -2.751 1.00 0.00 C ATOM 260 CE2 PHE A 19 9.992 -2.400 -3.525 1.00 0.00 C ATOM 261 CZ PHE A 19 9.329 -3.343 -2.764 1.00 0.00 C ATOM 0 H PHE A 19 6.667 1.751 -6.042 1.00 0.00 H new ATOM 0 HA PHE A 19 5.644 0.326 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.281 -1.029 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.748 -0.118 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.153 -2.484 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.794 -0.755 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.428 -4.106 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.072 -2.375 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.890 -4.058 -2.180 1.00 0.00 H new ATOM 271 N ALA A 20 7.286 0.758 -1.953 1.00 0.00 N ATOM 272 CA ALA A 20 8.179 1.107 -0.855 1.00 0.00 C ATOM 273 C ALA A 20 9.153 -0.029 -0.558 1.00 0.00 C ATOM 274 O ALA A 20 10.366 0.129 -0.693 1.00 0.00 O ATOM 275 CB ALA A 20 7.375 1.454 0.389 1.00 0.00 C ATOM 0 H ALA A 20 6.443 0.258 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 20 8.759 1.980 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.055 1.713 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.724 2.302 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.770 0.596 0.682 1.00 0.00 H new ATOM 281 N GLY A 21 8.614 -1.174 -0.150 1.00 0.00 N ATOM 282 CA GLY A 21 9.450 -2.318 0.161 1.00 0.00 C ATOM 283 C GLY A 21 10.085 -2.217 1.535 1.00 0.00 C ATOM 284 O GLY A 21 11.067 -1.500 1.720 1.00 0.00 O ATOM 0 H GLY A 21 7.613 -1.329 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.851 -3.227 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.233 -2.407 -0.592 1.00 0.00 H new ATOM 288 N ASN A 22 9.520 -2.935 2.499 1.00 0.00 N ATOM 289 CA ASN A 22 10.035 -2.921 3.864 1.00 0.00 C ATOM 290 C ASN A 22 10.587 -1.545 4.222 1.00 0.00 C ATOM 291 O ASN A 22 11.728 -1.419 4.667 1.00 0.00 O ATOM 292 CB ASN A 22 11.128 -3.979 4.029 1.00 0.00 C ATOM 293 CG ASN A 22 11.538 -4.165 5.477 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.603 -3.708 5.895 1.00 0.00 O ATOM 295 ND2 ASN A 22 10.694 -4.838 6.251 1.00 0.00 N ATOM 0 H ASN A 22 8.706 -3.534 2.361 1.00 0.00 H new ATOM 0 HA ASN A 22 9.211 -3.150 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.773 -4.929 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.000 -3.692 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.917 -4.994 7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.823 -5.199 5.862 1.00 0.00 H new ATOM 302 N MET A 23 9.769 -0.516 4.026 1.00 0.00 N ATOM 303 CA MET A 23 10.174 0.852 4.332 1.00 0.00 C ATOM 304 C MET A 23 9.937 1.173 5.804 1.00 0.00 C ATOM 305 O MET A 23 9.042 0.611 6.434 1.00 0.00 O ATOM 306 CB MET A 23 9.410 1.842 3.451 1.00 0.00 C ATOM 307 CG MET A 23 10.209 3.085 3.098 1.00 0.00 C ATOM 308 SD MET A 23 9.645 3.865 1.574 1.00 0.00 S ATOM 309 CE MET A 23 9.143 5.473 2.183 1.00 0.00 C ATOM 0 H MET A 23 8.822 -0.603 3.657 1.00 0.00 H new ATOM 0 HA MET A 23 11.241 0.943 4.127 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.110 1.340 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.496 2.141 3.964 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.138 3.802 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 23 11.261 2.819 2.997 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.655 6.029 1.382 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.448 5.347 3.013 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.020 6.023 2.525 1.00 0.00 H new ATOM 319 N GLU A 24 10.744 2.081 6.343 1.00 0.00 N ATOM 320 CA GLU A 24 10.621 2.476 7.742 1.00 0.00 C ATOM 321 C GLU A 24 9.629 3.625 7.898 1.00 0.00 C ATOM 322 O GLU A 24 9.817 4.702 7.333 1.00 0.00 O ATOM 323 CB GLU A 24 11.985 2.886 8.301 1.00 0.00 C ATOM 324 CG GLU A 24 12.867 1.708 8.679 1.00 0.00 C ATOM 325 CD GLU A 24 14.029 2.110 9.568 1.00 0.00 C ATOM 326 OE1 GLU A 24 13.778 2.546 10.710 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.188 1.990 9.119 1.00 0.00 O ATOM 0 H GLU A 24 11.489 2.557 5.834 1.00 0.00 H new ATOM 0 HA GLU A 24 10.249 1.619 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.504 3.494 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.835 3.513 9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.265 0.958 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.253 1.242 7.772 1.00 0.00 H new ATOM 334 N ARG A 25 8.572 3.386 8.668 1.00 0.00 N ATOM 335 CA ARG A 25 7.549 4.399 8.897 1.00 0.00 C ATOM 336 C ARG A 25 8.175 5.786 9.016 1.00 0.00 C ATOM 337 O ARG A 25 7.846 6.694 8.253 1.00 0.00 O ATOM 338 CB ARG A 25 6.756 4.076 10.163 1.00 0.00 C ATOM 339 CG ARG A 25 5.442 4.834 10.268 1.00 0.00 C ATOM 340 CD ARG A 25 4.664 4.429 11.512 1.00 0.00 C ATOM 341 NE ARG A 25 5.420 4.679 12.736 1.00 0.00 N ATOM 342 CZ ARG A 25 4.925 4.499 13.955 1.00 0.00 C ATOM 343 NH1 ARG A 25 3.681 4.069 14.113 1.00 0.00 N ATOM 344 NH2 ARG A 25 5.675 4.747 15.021 1.00 0.00 N ATOM 0 H ARG A 25 8.402 2.500 9.144 1.00 0.00 H new ATOM 0 HA ARG A 25 6.873 4.396 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.552 3.006 10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.369 4.306 11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.640 5.906 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.838 4.642 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.724 4.980 11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.410 3.371 11.452 1.00 0.00 H new ATOM 0 HE ARG A 25 6.381 5.010 12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.101 3.875 13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.304 3.932 15.051 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.633 5.076 14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.293 4.608 15.957 1.00 0.00 H new ATOM 358 N GLN A 26 9.078 5.942 9.979 1.00 0.00 N ATOM 359 CA GLN A 26 9.748 7.218 10.198 1.00 0.00 C ATOM 360 C GLN A 26 10.262 7.796 8.885 1.00 0.00 C ATOM 361 O GLN A 26 10.154 8.998 8.642 1.00 0.00 O ATOM 362 CB GLN A 26 10.908 7.046 11.181 1.00 0.00 C ATOM 363 CG GLN A 26 11.618 8.348 11.518 1.00 0.00 C ATOM 364 CD GLN A 26 10.754 9.289 12.335 1.00 0.00 C ATOM 365 OE1 GLN A 26 9.562 9.048 12.525 1.00 0.00 O ATOM 366 NE2 GLN A 26 11.354 10.369 12.823 1.00 0.00 N ATOM 0 H GLN A 26 9.362 5.201 10.620 1.00 0.00 H new ATOM 0 HA GLN A 26 9.022 7.913 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.531 6.599 12.101 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.630 6.347 10.759 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.531 8.127 12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.917 8.844 10.595 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.345 10.528 12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.824 11.039 13.381 1.00 0.00 H new ATOM 375 N GLN A 27 10.818 6.933 8.041 1.00 0.00 N ATOM 376 CA GLN A 27 11.349 7.361 6.752 1.00 0.00 C ATOM 377 C GLN A 27 10.221 7.711 5.788 1.00 0.00 C ATOM 378 O GLN A 27 10.382 8.554 4.905 1.00 0.00 O ATOM 379 CB GLN A 27 12.228 6.263 6.149 1.00 0.00 C ATOM 380 CG GLN A 27 13.701 6.406 6.494 1.00 0.00 C ATOM 381 CD GLN A 27 14.546 5.287 5.919 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.239 4.577 6.649 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.495 5.122 4.602 1.00 0.00 N ATOM 0 H GLN A 27 10.912 5.934 8.226 1.00 0.00 H new ATOM 0 HA GLN A 27 11.954 8.253 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.874 5.293 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.115 6.273 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.067 7.362 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.816 6.423 7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.908 5.732 4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.043 4.385 4.159 1.00 0.00 H new ATOM 392 N THR A 28 9.076 7.058 5.962 1.00 0.00 N ATOM 393 CA THR A 28 7.921 7.299 5.107 1.00 0.00 C ATOM 394 C THR A 28 7.224 8.602 5.478 1.00 0.00 C ATOM 395 O THR A 28 6.758 9.339 4.609 1.00 0.00 O ATOM 396 CB THR A 28 6.906 6.144 5.195 1.00 0.00 C ATOM 397 OG1 THR A 28 7.593 4.890 5.257 1.00 0.00 O ATOM 398 CG2 THR A 28 5.968 6.155 3.998 1.00 0.00 C ATOM 0 H THR A 28 8.924 6.358 6.688 1.00 0.00 H new ATOM 0 HA THR A 28 8.294 7.368 4.085 1.00 0.00 H new ATOM 0 HB THR A 28 6.315 6.279 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.940 4.162 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.260 5.330 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.424 7.099 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.547 6.044 3.081 1.00 0.00 H new ATOM 406 N ASP A 29 7.157 8.883 6.775 1.00 0.00 N ATOM 407 CA ASP A 29 6.519 10.100 7.263 1.00 0.00 C ATOM 408 C ASP A 29 7.485 11.279 7.211 1.00 0.00 C ATOM 409 O ASP A 29 7.070 12.437 7.252 1.00 0.00 O ATOM 410 CB ASP A 29 6.014 9.900 8.693 1.00 0.00 C ATOM 411 CG ASP A 29 4.968 10.923 9.087 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.057 12.075 8.613 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.060 10.573 9.869 1.00 0.00 O ATOM 0 H ASP A 29 7.537 8.284 7.508 1.00 0.00 H new ATOM 0 HA ASP A 29 5.671 10.320 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.593 8.899 8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.855 9.960 9.384 1.00 0.00 H new ATOM 418 N ASN A 30 8.776 10.976 7.123 1.00 0.00 N ATOM 419 CA ASN A 30 9.802 12.010 7.068 1.00 0.00 C ATOM 420 C ASN A 30 9.933 12.573 5.655 1.00 0.00 C ATOM 421 O ASN A 30 10.251 13.749 5.470 1.00 0.00 O ATOM 422 CB ASN A 30 11.148 11.449 7.530 1.00 0.00 C ATOM 423 CG ASN A 30 11.359 11.610 9.023 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.718 12.443 9.666 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.260 10.813 9.583 1.00 0.00 N ATOM 0 H ASN A 30 9.136 10.022 7.088 1.00 0.00 H new ATOM 0 HA ASN A 30 9.503 12.817 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.207 10.392 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.952 11.955 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.445 10.876 10.584 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.768 10.137 9.012 1.00 0.00 H new ATOM 432 N LEU A 31 9.682 11.727 4.662 1.00 0.00 N ATOM 433 CA LEU A 31 9.770 12.139 3.265 1.00 0.00 C ATOM 434 C LEU A 31 8.413 12.607 2.749 1.00 0.00 C ATOM 435 O LEU A 31 8.325 13.575 1.994 1.00 0.00 O ATOM 436 CB LEU A 31 10.286 10.985 2.404 1.00 0.00 C ATOM 437 CG LEU A 31 9.431 9.717 2.399 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.426 9.756 1.259 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.313 8.481 2.294 1.00 0.00 C ATOM 0 H LEU A 31 9.416 10.752 4.798 1.00 0.00 H new ATOM 0 HA LEU A 31 10.469 12.973 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.382 11.339 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.287 10.723 2.746 1.00 0.00 H new ATOM 0 HG LEU A 31 8.881 9.668 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.827 8.846 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.774 10.621 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.956 9.829 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.689 7.588 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.890 8.523 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.993 8.446 3.145 1.00 0.00 H new ATOM 451 N LEU A 32 7.358 11.915 3.163 1.00 0.00 N ATOM 452 CA LEU A 32 6.004 12.260 2.745 1.00 0.00 C ATOM 453 C LEU A 32 5.603 13.632 3.277 1.00 0.00 C ATOM 454 O LEU A 32 5.164 14.499 2.521 1.00 0.00 O ATOM 455 CB LEU A 32 5.012 11.201 3.232 1.00 0.00 C ATOM 456 CG LEU A 32 4.936 9.920 2.399 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.861 8.993 2.946 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.666 10.249 0.938 1.00 0.00 C ATOM 0 H LEU A 32 7.414 11.111 3.788 1.00 0.00 H new ATOM 0 HA LEU A 32 5.984 12.293 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.273 10.931 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.019 11.649 3.264 1.00 0.00 H new ATOM 0 HG LEU A 32 5.897 9.409 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.820 8.087 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.097 8.731 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.895 9.496 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.615 9.326 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.719 10.782 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.470 10.875 0.551 1.00 0.00 H new ATOM 470 N LYS A 33 5.758 13.822 4.582 1.00 0.00 N ATOM 471 CA LYS A 33 5.417 15.090 5.217 1.00 0.00 C ATOM 472 C LYS A 33 5.857 16.267 4.353 1.00 0.00 C ATOM 473 O LYS A 33 5.154 17.272 4.251 1.00 0.00 O ATOM 474 CB LYS A 33 6.068 15.185 6.599 1.00 0.00 C ATOM 475 CG LYS A 33 7.585 15.241 6.552 1.00 0.00 C ATOM 476 CD LYS A 33 8.182 15.346 7.946 1.00 0.00 C ATOM 477 CE LYS A 33 9.608 15.871 7.904 1.00 0.00 C ATOM 478 NZ LYS A 33 9.658 17.311 7.527 1.00 0.00 N ATOM 0 H LYS A 33 6.118 13.114 5.222 1.00 0.00 H new ATOM 0 HA LYS A 33 4.334 15.131 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.695 16.074 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.762 14.325 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.968 14.348 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.900 16.097 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.568 16.007 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.168 14.366 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.074 15.735 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.189 15.288 7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.573 17.713 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.546 17.404 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.890 17.822 8.007 1.00 0.00 H new ATOM 492 N SER A 34 7.025 16.136 3.732 1.00 0.00 N ATOM 493 CA SER A 34 7.561 17.190 2.879 1.00 0.00 C ATOM 494 C SER A 34 6.925 17.142 1.493 1.00 0.00 C ATOM 495 O SER A 34 6.798 18.166 0.819 1.00 0.00 O ATOM 496 CB SER A 34 9.080 17.057 2.760 1.00 0.00 C ATOM 497 OG SER A 34 9.730 17.615 3.889 1.00 0.00 O ATOM 0 H SER A 34 7.619 15.310 3.804 1.00 0.00 H new ATOM 0 HA SER A 34 7.323 18.150 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.350 16.005 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.422 17.558 1.855 1.00 0.00 H new ATOM 0 HG SER A 34 10.700 17.516 3.790 1.00 0.00 H new ATOM 503 N HIS A 35 6.526 15.946 1.073 1.00 0.00 N ATOM 504 CA HIS A 35 5.903 15.763 -0.233 1.00 0.00 C ATOM 505 C HIS A 35 4.606 16.562 -0.333 1.00 0.00 C ATOM 506 O HIS A 35 4.253 17.307 0.581 1.00 0.00 O ATOM 507 CB HIS A 35 5.623 14.282 -0.486 1.00 0.00 C ATOM 508 CG HIS A 35 6.755 13.564 -1.155 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.112 13.783 -2.469 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.612 12.628 -0.685 1.00 0.00 C ATOM 511 CE1 HIS A 35 8.138 13.012 -2.778 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.462 12.302 -1.713 1.00 0.00 N ATOM 0 H HIS A 35 6.623 15.089 1.618 1.00 0.00 H new ATOM 0 HA HIS A 35 6.595 16.129 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.405 13.794 0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.730 14.190 -1.104 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.655 14.438 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.625 12.215 0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.629 12.969 -3.739 1.00 0.00 H new ATOM 521 N ALA A 36 3.901 16.399 -1.448 1.00 0.00 N ATOM 522 CA ALA A 36 2.644 17.104 -1.666 1.00 0.00 C ATOM 523 C ALA A 36 1.485 16.380 -0.988 1.00 0.00 C ATOM 524 O ALA A 36 1.685 15.395 -0.279 1.00 0.00 O ATOM 525 CB ALA A 36 2.374 17.254 -3.155 1.00 0.00 C ATOM 0 H ALA A 36 4.179 15.785 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 36 2.730 18.096 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.432 17.782 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.183 17.820 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.313 16.268 -3.615 1.00 0.00 H new ATOM 531 N SER A 37 0.272 16.879 -1.208 1.00 0.00 N ATOM 532 CA SER A 37 -0.918 16.283 -0.613 1.00 0.00 C ATOM 533 C SER A 37 -1.503 15.211 -1.528 1.00 0.00 C ATOM 534 O SER A 37 -2.695 14.910 -1.469 1.00 0.00 O ATOM 535 CB SER A 37 -1.969 17.360 -0.335 1.00 0.00 C ATOM 536 OG SER A 37 -2.369 18.003 -1.533 1.00 0.00 O ATOM 0 H SER A 37 0.088 17.694 -1.793 1.00 0.00 H new ATOM 0 HA SER A 37 -0.629 15.816 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.837 16.910 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.565 18.097 0.359 1.00 0.00 H new ATOM 0 HG SER A 37 -3.042 18.685 -1.329 1.00 0.00 H new ATOM 542 N GLY A 38 -0.654 14.636 -2.375 1.00 0.00 N ATOM 543 CA GLY A 38 -1.104 13.604 -3.290 1.00 0.00 C ATOM 544 C GLY A 38 -0.099 12.477 -3.432 1.00 0.00 C ATOM 545 O GLY A 38 -0.315 11.534 -4.194 1.00 0.00 O ATOM 0 H GLY A 38 0.337 14.867 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.053 13.199 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.290 14.046 -4.269 1.00 0.00 H new ATOM 549 N THR A 39 1.004 12.575 -2.697 1.00 0.00 N ATOM 550 CA THR A 39 2.047 11.557 -2.747 1.00 0.00 C ATOM 551 C THR A 39 1.610 10.287 -2.028 1.00 0.00 C ATOM 552 O THR A 39 1.363 10.298 -0.821 1.00 0.00 O ATOM 553 CB THR A 39 3.357 12.066 -2.116 1.00 0.00 C ATOM 554 OG1 THR A 39 3.903 13.127 -2.908 1.00 0.00 O ATOM 555 CG2 THR A 39 4.374 10.940 -2.000 1.00 0.00 C ATOM 0 H THR A 39 1.198 13.348 -2.061 1.00 0.00 H new ATOM 0 HA THR A 39 2.221 11.333 -3.799 1.00 0.00 H new ATOM 0 HB THR A 39 3.132 12.438 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.845 12.939 -3.102 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.291 11.323 -1.552 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.968 10.146 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.593 10.544 -2.992 1.00 0.00 H new ATOM 563 N TYR A 40 1.518 9.192 -2.774 1.00 0.00 N ATOM 564 CA TYR A 40 1.109 7.912 -2.208 1.00 0.00 C ATOM 565 C TYR A 40 2.198 6.861 -2.394 1.00 0.00 C ATOM 566 O TYR A 40 3.147 7.060 -3.154 1.00 0.00 O ATOM 567 CB TYR A 40 -0.191 7.436 -2.857 1.00 0.00 C ATOM 568 CG TYR A 40 -0.004 6.877 -4.249 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.094 7.719 -5.350 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.077 5.506 -4.464 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.265 7.212 -6.624 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.250 4.991 -5.734 1.00 0.00 C ATOM 573 CZ TYR A 40 0.342 5.848 -6.810 1.00 0.00 C ATOM 574 OH TYR A 40 0.514 5.340 -8.078 1.00 0.00 O ATOM 0 H TYR A 40 1.721 9.165 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 40 0.944 8.052 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.644 6.672 -2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.892 8.270 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.036 8.788 -5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.003 4.832 -3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.338 7.880 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.313 3.923 -5.883 1.00 0.00 H new ATOM 0 HH TYR A 40 0.833 4.415 -8.019 1.00 0.00 H new ATOM 584 N LEU A 41 2.055 5.740 -1.694 1.00 0.00 N ATOM 585 CA LEU A 41 3.026 4.655 -1.781 1.00 0.00 C ATOM 586 C LEU A 41 2.515 3.408 -1.068 1.00 0.00 C ATOM 587 O LEU A 41 1.569 3.474 -0.282 1.00 0.00 O ATOM 588 CB LEU A 41 4.362 5.091 -1.176 1.00 0.00 C ATOM 589 CG LEU A 41 4.443 5.080 0.351 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.940 3.732 0.850 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.346 6.200 0.845 1.00 0.00 C ATOM 0 H LEU A 41 1.276 5.559 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 41 3.172 4.414 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.144 4.440 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.584 6.100 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 41 3.442 5.245 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.991 3.743 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.254 2.949 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.932 3.536 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.392 6.177 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.348 6.067 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.946 7.160 0.519 1.00 0.00 H new ATOM 603 N ILE A 42 3.145 2.273 -1.346 1.00 0.00 N ATOM 604 CA ILE A 42 2.756 1.012 -0.728 1.00 0.00 C ATOM 605 C ILE A 42 3.972 0.256 -0.205 1.00 0.00 C ATOM 606 O ILE A 42 4.791 -0.238 -0.982 1.00 0.00 O ATOM 607 CB ILE A 42 1.993 0.112 -1.719 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.604 0.687 -2.001 1.00 0.00 C ATOM 609 CG2 ILE A 42 1.885 -1.305 -1.173 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.574 1.644 -3.172 1.00 0.00 C ATOM 0 H ILE A 42 3.928 2.200 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 42 2.100 1.259 0.106 1.00 0.00 H new ATOM 0 HB ILE A 42 2.548 0.078 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.088 -0.133 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.245 1.203 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.343 -1.929 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.884 -1.713 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.350 -1.289 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.442 2.013 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.240 2.483 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.902 1.126 -4.073 1.00 0.00 H new ATOM 622 N ARG A 43 4.085 0.168 1.116 1.00 0.00 N ATOM 623 CA ARG A 43 5.201 -0.528 1.743 1.00 0.00 C ATOM 624 C ARG A 43 4.771 -1.901 2.249 1.00 0.00 C ATOM 625 O ARG A 43 3.581 -2.171 2.404 1.00 0.00 O ATOM 626 CB ARG A 43 5.762 0.301 2.900 1.00 0.00 C ATOM 627 CG ARG A 43 4.819 0.402 4.089 1.00 0.00 C ATOM 628 CD ARG A 43 5.170 1.585 4.978 1.00 0.00 C ATOM 629 NE ARG A 43 4.212 1.753 6.067 1.00 0.00 N ATOM 630 CZ ARG A 43 4.126 0.927 7.104 1.00 0.00 C ATOM 631 NH1 ARG A 43 4.937 -0.118 7.194 1.00 0.00 N ATOM 632 NH2 ARG A 43 3.228 1.147 8.057 1.00 0.00 N ATOM 0 H ARG A 43 3.417 0.570 1.773 1.00 0.00 H new ATOM 0 HA ARG A 43 5.979 -0.664 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.703 -0.140 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.989 1.305 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.793 0.504 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.865 -0.518 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.168 1.444 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.199 2.494 4.377 1.00 0.00 H new ATOM 0 HE ARG A 43 3.574 2.548 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.630 -0.290 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.868 -0.750 7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.603 1.951 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.163 0.512 8.853 1.00 0.00 H new ATOM 646 N GLU A 44 5.749 -2.766 2.504 1.00 0.00 N ATOM 647 CA GLU A 44 5.469 -4.112 2.992 1.00 0.00 C ATOM 648 C GLU A 44 5.913 -4.268 4.443 1.00 0.00 C ATOM 649 O GLU A 44 7.104 -4.388 4.730 1.00 0.00 O ATOM 650 CB GLU A 44 6.174 -5.151 2.117 1.00 0.00 C ATOM 651 CG GLU A 44 6.208 -6.540 2.731 1.00 0.00 C ATOM 652 CD GLU A 44 6.806 -7.576 1.798 1.00 0.00 C ATOM 653 OE1 GLU A 44 7.017 -7.253 0.610 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.062 -8.709 2.256 1.00 0.00 O ATOM 0 H GLU A 44 6.740 -2.559 2.381 1.00 0.00 H new ATOM 0 HA GLU A 44 4.392 -4.273 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.671 -5.202 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.196 -4.821 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.787 -6.511 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.195 -6.840 2.999 1.00 0.00 H new ATOM 661 N ARG A 45 4.945 -4.265 5.355 1.00 0.00 N ATOM 662 CA ARG A 45 5.236 -4.405 6.777 1.00 0.00 C ATOM 663 C ARG A 45 5.038 -5.848 7.233 1.00 0.00 C ATOM 664 O ARG A 45 3.960 -6.426 7.094 1.00 0.00 O ATOM 665 CB ARG A 45 4.341 -3.472 7.595 1.00 0.00 C ATOM 666 CG ARG A 45 4.670 -3.460 9.078 1.00 0.00 C ATOM 667 CD ARG A 45 3.540 -2.851 9.895 1.00 0.00 C ATOM 668 NE ARG A 45 3.804 -2.916 11.330 1.00 0.00 N ATOM 669 CZ ARG A 45 4.683 -2.138 11.951 1.00 0.00 C ATOM 670 NH1 ARG A 45 5.378 -1.239 11.268 1.00 0.00 N ATOM 671 NH2 ARG A 45 4.868 -2.258 13.260 1.00 0.00 N ATOM 0 H ARG A 45 3.954 -4.167 5.134 1.00 0.00 H new ATOM 0 HA ARG A 45 6.279 -4.132 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.432 -2.459 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.301 -3.772 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.858 -4.478 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.586 -2.894 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.399 -1.811 9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.610 -3.375 9.674 1.00 0.00 H new ATOM 0 HE ARG A 45 3.285 -3.596 11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.238 -1.143 10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.052 -0.643 11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.335 -2.948 13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.543 -1.660 13.737 1.00 0.00 H new ATOM 685 N PRO A 46 6.103 -6.444 7.790 1.00 0.00 N ATOM 686 CA PRO A 46 6.072 -7.825 8.277 1.00 0.00 C ATOM 687 C PRO A 46 5.209 -7.980 9.526 1.00 0.00 C ATOM 688 O PRO A 46 5.661 -7.716 10.640 1.00 0.00 O ATOM 689 CB PRO A 46 7.538 -8.121 8.601 1.00 0.00 C ATOM 690 CG PRO A 46 8.142 -6.787 8.876 1.00 0.00 C ATOM 691 CD PRO A 46 7.420 -5.814 7.986 1.00 0.00 C ATOM 0 HA PRO A 46 5.638 -8.505 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.627 -8.781 9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.035 -8.617 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.027 -6.515 9.925 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.211 -6.791 8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.331 -4.833 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.942 -5.671 7.040 1.00 0.00 H new ATOM 699 N ALA A 47 3.966 -8.408 9.332 1.00 0.00 N ATOM 700 CA ALA A 47 3.042 -8.600 10.442 1.00 0.00 C ATOM 701 C ALA A 47 2.517 -10.032 10.478 1.00 0.00 C ATOM 702 O ALA A 47 2.913 -10.868 9.667 1.00 0.00 O ATOM 703 CB ALA A 47 1.887 -7.615 10.344 1.00 0.00 C ATOM 0 H ALA A 47 3.576 -8.628 8.416 1.00 0.00 H new ATOM 0 HA ALA A 47 3.584 -8.416 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.205 -7.770 11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.274 -6.596 10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.354 -7.772 9.406 1.00 0.00 H new ATOM 709 N GLU A 48 1.624 -10.306 11.424 1.00 0.00 N ATOM 710 CA GLU A 48 1.047 -11.638 11.565 1.00 0.00 C ATOM 711 C GLU A 48 -0.234 -11.765 10.746 1.00 0.00 C ATOM 712 O GLU A 48 -0.451 -12.767 10.066 1.00 0.00 O ATOM 713 CB GLU A 48 0.756 -11.937 13.038 1.00 0.00 C ATOM 714 CG GLU A 48 2.005 -12.195 13.865 1.00 0.00 C ATOM 715 CD GLU A 48 2.502 -13.622 13.742 1.00 0.00 C ATOM 716 OE1 GLU A 48 1.741 -14.548 14.097 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.650 -13.813 13.292 1.00 0.00 O ATOM 0 H GLU A 48 1.285 -9.625 12.103 1.00 0.00 H new ATOM 0 HA GLU A 48 1.770 -12.362 11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.212 -11.097 13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.102 -12.807 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.793 -11.511 13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.794 -11.977 14.912 1.00 0.00 H new ATOM 724 N ALA A 49 -1.080 -10.742 10.819 1.00 0.00 N ATOM 725 CA ALA A 49 -2.338 -10.738 10.083 1.00 0.00 C ATOM 726 C ALA A 49 -2.285 -9.768 8.908 1.00 0.00 C ATOM 727 O ALA A 49 -3.305 -9.478 8.285 1.00 0.00 O ATOM 728 CB ALA A 49 -3.491 -10.383 11.012 1.00 0.00 C ATOM 0 H ALA A 49 -0.917 -9.906 11.380 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.501 -11.740 9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.425 -10.384 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.551 -11.118 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.324 -9.393 11.437 1.00 0.00 H new ATOM 734 N GLU A 50 -1.089 -9.269 8.612 1.00 0.00 N ATOM 735 CA GLU A 50 -0.904 -8.330 7.514 1.00 0.00 C ATOM 736 C GLU A 50 0.287 -8.733 6.648 1.00 0.00 C ATOM 737 O GLU A 50 1.156 -9.489 7.082 1.00 0.00 O ATOM 738 CB GLU A 50 -0.700 -6.912 8.052 1.00 0.00 C ATOM 739 CG GLU A 50 -1.796 -6.460 9.003 1.00 0.00 C ATOM 740 CD GLU A 50 -1.313 -5.420 9.996 1.00 0.00 C ATOM 741 OE1 GLU A 50 -0.478 -4.575 9.612 1.00 0.00 O ATOM 742 OE2 GLU A 50 -1.772 -5.451 11.157 1.00 0.00 O ATOM 0 H GLU A 50 -0.234 -9.500 9.118 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.803 -8.351 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.260 -6.862 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.649 -6.218 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.625 -6.050 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.181 -7.324 9.545 1.00 0.00 H new ATOM 749 N ARG A 51 0.319 -8.222 5.421 1.00 0.00 N ATOM 750 CA ARG A 51 1.401 -8.529 4.494 1.00 0.00 C ATOM 751 C ARG A 51 1.950 -7.256 3.858 1.00 0.00 C ATOM 752 O ARG A 51 3.164 -7.061 3.781 1.00 0.00 O ATOM 753 CB ARG A 51 0.912 -9.485 3.405 1.00 0.00 C ATOM 754 CG ARG A 51 1.999 -9.904 2.428 1.00 0.00 C ATOM 755 CD ARG A 51 3.098 -10.694 3.122 1.00 0.00 C ATOM 756 NE ARG A 51 4.223 -10.964 2.233 1.00 0.00 N ATOM 757 CZ ARG A 51 4.177 -11.839 1.234 1.00 0.00 C ATOM 758 NH1 ARG A 51 3.066 -12.524 0.999 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.243 -12.030 0.467 1.00 0.00 N ATOM 0 H ARG A 51 -0.392 -7.594 5.046 1.00 0.00 H new ATOM 0 HA ARG A 51 2.202 -9.008 5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.496 -10.376 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.102 -9.009 2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.562 -10.508 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.427 -9.019 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.449 -10.139 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.691 -11.637 3.488 1.00 0.00 H new ATOM 0 HE ARG A 51 5.092 -10.453 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.244 -12.380 1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.033 -13.195 0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.099 -11.505 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.206 -12.702 -0.299 1.00 0.00 H new ATOM 773 N PHE A 52 1.049 -6.392 3.403 1.00 0.00 N ATOM 774 CA PHE A 52 1.443 -5.137 2.772 1.00 0.00 C ATOM 775 C PHE A 52 0.845 -3.944 3.513 1.00 0.00 C ATOM 776 O PHE A 52 0.062 -4.110 4.448 1.00 0.00 O ATOM 777 CB PHE A 52 1.000 -5.116 1.308 1.00 0.00 C ATOM 778 CG PHE A 52 1.762 -6.074 0.438 1.00 0.00 C ATOM 779 CD1 PHE A 52 3.143 -6.003 0.350 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.097 -7.047 -0.292 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.847 -6.884 -0.450 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.796 -7.930 -1.093 1.00 0.00 C ATOM 783 CZ PHE A 52 3.172 -7.848 -1.173 1.00 0.00 C ATOM 0 H PHE A 52 0.041 -6.537 3.459 1.00 0.00 H new ATOM 0 HA PHE A 52 2.530 -5.063 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.062 -5.355 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.120 -4.106 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.676 -5.251 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.021 -7.116 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.923 -6.818 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.266 -8.684 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.719 -8.536 -1.800 1.00 0.00 H new ATOM 793 N ALA A 53 1.221 -2.743 3.088 1.00 0.00 N ATOM 794 CA ALA A 53 0.721 -1.522 3.708 1.00 0.00 C ATOM 795 C ALA A 53 0.708 -0.365 2.715 1.00 0.00 C ATOM 796 O ALA A 53 1.586 -0.263 1.857 1.00 0.00 O ATOM 797 CB ALA A 53 1.563 -1.166 4.925 1.00 0.00 C ATOM 0 H ALA A 53 1.870 -2.589 2.317 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.305 -1.701 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.179 -0.252 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.516 -1.978 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.598 -1.012 4.619 1.00 0.00 H new ATOM 803 N ILE A 54 -0.290 0.502 2.836 1.00 0.00 N ATOM 804 CA ILE A 54 -0.416 1.651 1.948 1.00 0.00 C ATOM 805 C ILE A 54 -0.333 2.959 2.727 1.00 0.00 C ATOM 806 O ILE A 54 -0.987 3.123 3.757 1.00 0.00 O ATOM 807 CB ILE A 54 -1.743 1.615 1.166 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.907 0.268 0.459 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.796 2.757 0.161 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.351 -0.130 0.244 1.00 0.00 C ATOM 0 H ILE A 54 -1.024 0.431 3.541 1.00 0.00 H new ATOM 0 HA ILE A 54 0.413 1.598 1.243 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.566 1.737 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.403 0.310 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.409 -0.504 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.739 2.719 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.719 3.709 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.967 2.663 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.391 -1.095 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.855 -0.204 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.848 0.622 -0.369 1.00 0.00 H new ATOM 822 N SER A 55 0.473 3.889 2.226 1.00 0.00 N ATOM 823 CA SER A 55 0.644 5.184 2.876 1.00 0.00 C ATOM 824 C SER A 55 0.470 6.321 1.874 1.00 0.00 C ATOM 825 O SER A 55 1.010 6.277 0.768 1.00 0.00 O ATOM 826 CB SER A 55 2.023 5.272 3.531 1.00 0.00 C ATOM 827 OG SER A 55 1.997 6.124 4.663 1.00 0.00 O ATOM 0 H SER A 55 1.018 3.771 1.372 1.00 0.00 H new ATOM 0 HA SER A 55 -0.122 5.281 3.646 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.352 4.276 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.749 5.644 2.808 1.00 0.00 H new ATOM 0 HG SER A 55 1.077 6.206 4.990 1.00 0.00 H new ATOM 833 N ILE A 56 -0.287 7.338 2.269 1.00 0.00 N ATOM 834 CA ILE A 56 -0.531 8.488 1.407 1.00 0.00 C ATOM 835 C ILE A 56 -0.509 9.788 2.205 1.00 0.00 C ATOM 836 O ILE A 56 -1.037 9.858 3.315 1.00 0.00 O ATOM 837 CB ILE A 56 -1.883 8.370 0.680 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.043 6.970 0.082 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.996 9.430 -0.405 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.531 5.941 1.077 1.00 0.00 C ATOM 0 H ILE A 56 -0.742 7.390 3.180 1.00 0.00 H new ATOM 0 HA ILE A 56 0.270 8.503 0.668 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.683 8.531 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.743 7.018 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.085 6.645 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.957 9.333 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.920 10.420 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.192 9.297 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.621 4.973 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.820 5.865 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.504 6.243 1.465 1.00 0.00 H new ATOM 852 N LYS A 57 0.104 10.817 1.631 1.00 0.00 N ATOM 853 CA LYS A 57 0.193 12.117 2.286 1.00 0.00 C ATOM 854 C LYS A 57 -1.046 12.959 1.996 1.00 0.00 C ATOM 855 O LYS A 57 -1.201 13.495 0.899 1.00 0.00 O ATOM 856 CB LYS A 57 1.448 12.861 1.821 1.00 0.00 C ATOM 857 CG LYS A 57 1.686 14.170 2.554 1.00 0.00 C ATOM 858 CD LYS A 57 2.068 13.934 4.005 1.00 0.00 C ATOM 859 CE LYS A 57 1.919 15.202 4.833 1.00 0.00 C ATOM 860 NZ LYS A 57 2.211 14.961 6.273 1.00 0.00 N ATOM 0 H LYS A 57 0.547 10.776 0.713 1.00 0.00 H new ATOM 0 HA LYS A 57 0.254 11.950 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.315 12.215 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.366 13.062 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.477 14.729 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.786 14.783 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.440 13.148 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.098 13.582 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.593 15.968 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.905 15.588 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.349 15.871 6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.414 14.455 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.074 14.388 6.361 1.00 0.00 H new ATOM 874 N PHE A 58 -1.924 13.070 2.987 1.00 0.00 N ATOM 875 CA PHE A 58 -3.150 13.848 2.838 1.00 0.00 C ATOM 876 C PHE A 58 -3.597 14.419 4.179 1.00 0.00 C ATOM 877 O PHE A 58 -3.586 13.727 5.196 1.00 0.00 O ATOM 878 CB PHE A 58 -4.260 12.979 2.245 1.00 0.00 C ATOM 879 CG PHE A 58 -5.585 13.680 2.151 1.00 0.00 C ATOM 880 CD1 PHE A 58 -5.911 14.427 1.030 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.504 13.595 3.184 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.129 15.074 0.941 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.723 14.238 3.100 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.036 14.980 1.978 1.00 0.00 C ATOM 0 H PHE A 58 -1.810 12.632 3.901 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.946 14.677 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.961 12.650 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.374 12.083 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.205 14.504 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.264 13.019 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.371 15.652 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.432 14.161 3.911 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.988 15.486 1.912 1.00 0.00 H new ATOM 894 N ASN A 59 -3.990 15.689 4.173 1.00 0.00 N ATOM 895 CA ASN A 59 -4.441 16.356 5.389 1.00 0.00 C ATOM 896 C ASN A 59 -3.268 16.627 6.327 1.00 0.00 C ATOM 897 O ASN A 59 -3.375 16.446 7.540 1.00 0.00 O ATOM 898 CB ASN A 59 -5.492 15.504 6.103 1.00 0.00 C ATOM 899 CG ASN A 59 -6.487 16.345 6.880 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.193 16.818 7.977 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.673 16.534 6.312 1.00 0.00 N ATOM 0 H ASN A 59 -4.005 16.277 3.339 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.887 17.310 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.026 14.900 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.995 14.813 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.383 17.091 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.873 16.123 5.400 1.00 0.00 H new ATOM 908 N ASP A 60 -2.150 17.063 5.757 1.00 0.00 N ATOM 909 CA ASP A 60 -0.958 17.361 6.541 1.00 0.00 C ATOM 910 C ASP A 60 -0.680 16.253 7.551 1.00 0.00 C ATOM 911 O ASP A 60 -0.214 16.512 8.660 1.00 0.00 O ATOM 912 CB ASP A 60 -1.119 18.699 7.265 1.00 0.00 C ATOM 913 CG ASP A 60 -1.420 19.840 6.314 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.853 19.849 5.202 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.221 20.725 6.682 1.00 0.00 O ATOM 0 H ASP A 60 -2.045 17.218 4.754 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.111 17.426 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.923 18.618 7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.206 18.922 7.818 1.00 0.00 H new ATOM 920 N GLU A 61 -0.971 15.016 7.160 1.00 0.00 N ATOM 921 CA GLU A 61 -0.755 13.868 8.033 1.00 0.00 C ATOM 922 C GLU A 61 -0.558 12.593 7.217 1.00 0.00 C ATOM 923 O GLU A 61 -1.335 12.298 6.309 1.00 0.00 O ATOM 924 CB GLU A 61 -1.936 13.697 8.990 1.00 0.00 C ATOM 925 CG GLU A 61 -1.988 14.749 10.085 1.00 0.00 C ATOM 926 CD GLU A 61 -2.774 14.289 11.299 1.00 0.00 C ATOM 927 OE1 GLU A 61 -2.339 13.320 11.955 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.825 14.898 11.590 1.00 0.00 O ATOM 0 H GLU A 61 -1.357 14.783 6.245 1.00 0.00 H new ATOM 0 HA GLU A 61 0.149 14.051 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.864 13.733 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.882 12.710 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.972 15.002 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.438 15.659 9.689 1.00 0.00 H new ATOM 935 N VAL A 62 0.487 11.840 7.548 1.00 0.00 N ATOM 936 CA VAL A 62 0.786 10.598 6.846 1.00 0.00 C ATOM 937 C VAL A 62 -0.052 9.446 7.389 1.00 0.00 C ATOM 938 O VAL A 62 0.133 9.009 8.525 1.00 0.00 O ATOM 939 CB VAL A 62 2.277 10.232 6.964 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.524 8.823 6.448 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.133 11.241 6.212 1.00 0.00 C ATOM 0 H VAL A 62 1.140 12.069 8.298 1.00 0.00 H new ATOM 0 HA VAL A 62 0.541 10.760 5.796 1.00 0.00 H new ATOM 0 HB VAL A 62 2.559 10.262 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.583 8.582 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.939 8.113 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.227 8.762 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.184 10.968 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.851 11.244 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.978 12.235 6.632 1.00 0.00 H new ATOM 951 N LYS A 63 -0.977 8.956 6.568 1.00 0.00 N ATOM 952 CA LYS A 63 -1.844 7.853 6.964 1.00 0.00 C ATOM 953 C LYS A 63 -1.213 6.510 6.610 1.00 0.00 C ATOM 954 O LYS A 63 -0.773 6.299 5.479 1.00 0.00 O ATOM 955 CB LYS A 63 -3.209 7.982 6.285 1.00 0.00 C ATOM 956 CG LYS A 63 -4.222 8.769 7.098 1.00 0.00 C ATOM 957 CD LYS A 63 -3.797 10.217 7.267 1.00 0.00 C ATOM 958 CE LYS A 63 -4.993 11.125 7.506 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.639 12.301 8.349 1.00 0.00 N ATOM 0 H LYS A 63 -1.144 9.306 5.625 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.977 7.898 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.079 8.465 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.606 6.985 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.194 8.729 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.341 8.307 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.104 10.298 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.261 10.546 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.384 11.469 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.788 10.558 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.461 12.576 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.846 12.054 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.363 13.096 7.738 1.00 0.00 H new ATOM 973 N HIS A 64 -1.171 5.605 7.582 1.00 0.00 N ATOM 974 CA HIS A 64 -0.595 4.282 7.371 1.00 0.00 C ATOM 975 C HIS A 64 -1.670 3.203 7.452 1.00 0.00 C ATOM 976 O HIS A 64 -2.255 2.973 8.512 1.00 0.00 O ATOM 977 CB HIS A 64 0.497 4.008 8.405 1.00 0.00 C ATOM 978 CG HIS A 64 1.726 4.844 8.213 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.631 4.629 7.195 1.00 0.00 N ATOM 980 CD2 HIS A 64 2.196 5.900 8.916 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.605 5.516 7.281 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.365 6.300 8.316 1.00 0.00 N ATOM 0 H HIS A 64 -1.529 5.764 8.524 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.155 4.259 6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.096 4.190 9.402 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.773 2.955 8.360 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.738 6.345 9.787 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.454 5.588 6.617 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.952 7.076 8.620 1.00 0.00 H new ATOM 991 N ILE A 65 -1.926 2.544 6.327 1.00 0.00 N ATOM 992 CA ILE A 65 -2.931 1.488 6.272 1.00 0.00 C ATOM 993 C ILE A 65 -2.282 0.122 6.078 1.00 0.00 C ATOM 994 O ILE A 65 -1.234 0.003 5.443 1.00 0.00 O ATOM 995 CB ILE A 65 -3.940 1.731 5.134 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.509 3.149 5.221 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.058 0.701 5.188 1.00 0.00 C ATOM 998 CD1 ILE A 65 -4.929 3.715 3.883 1.00 0.00 C ATOM 0 H ILE A 65 -1.452 2.722 5.442 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.460 1.504 7.225 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.422 1.626 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.369 3.146 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.761 3.805 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.763 0.886 4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.637 -0.299 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.576 0.776 6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.322 4.722 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.067 3.750 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.700 3.081 3.446 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.913 -0.910 6.629 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.402 -2.270 6.516 1.00 0.00 C ATOM 1012 C LYS A 66 -3.223 -3.079 5.517 1.00 0.00 C ATOM 1013 O LYS A 66 -4.412 -2.825 5.327 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.417 -2.959 7.882 1.00 0.00 C ATOM 1015 CG LYS A 66 -3.763 -3.562 8.243 1.00 0.00 C ATOM 1016 CD LYS A 66 -3.960 -3.628 9.748 1.00 0.00 C ATOM 1017 CE LYS A 66 -4.574 -2.344 10.287 1.00 0.00 C ATOM 1018 NZ LYS A 66 -3.532 -1.351 10.670 1.00 0.00 N ATOM 0 H LYS A 66 -3.781 -0.829 7.159 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.375 -2.216 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.662 -3.745 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.135 -2.236 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.560 -2.968 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.838 -4.564 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.604 -4.472 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.001 -3.806 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.230 -1.910 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.194 -2.573 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.915 -0.706 11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.704 -1.848 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.248 -0.805 9.832 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.580 -4.054 4.882 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.251 -4.902 3.905 1.00 0.00 C ATOM 1034 C VAL A 67 -3.385 -6.332 4.417 1.00 0.00 C ATOM 1035 O VAL A 67 -2.426 -7.102 4.398 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.497 -4.919 2.562 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.254 -5.743 1.534 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.272 -3.501 2.060 1.00 0.00 C ATOM 0 H VAL A 67 -1.595 -4.276 5.027 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.244 -4.479 3.750 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.524 -5.384 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.705 -5.743 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.358 -6.767 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.243 -5.311 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.738 -3.532 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.234 -3.008 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.683 -2.946 2.790 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.584 -6.680 4.876 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.845 -8.018 5.393 1.00 0.00 C ATOM 1050 C VAL A 68 -4.903 -9.042 4.264 1.00 0.00 C ATOM 1051 O VAL A 68 -5.501 -8.794 3.218 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.166 -8.067 6.183 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.456 -9.484 6.653 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.117 -7.107 7.361 1.00 0.00 C ATOM 0 H VAL A 68 -5.389 -6.054 4.900 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.021 -8.265 6.062 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.975 -7.756 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.393 -9.498 7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.536 -10.144 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.646 -9.826 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.058 -7.154 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.298 -7.386 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.960 -6.092 6.997 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.278 -10.194 4.485 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.258 -11.256 3.485 1.00 0.00 C ATOM 1066 C GLU A 69 -4.652 -12.594 4.104 1.00 0.00 C ATOM 1067 O GLU A 69 -3.863 -13.217 4.816 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.871 -11.364 2.850 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.699 -10.499 1.612 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.248 -10.369 1.188 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.479 -11.330 1.401 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.883 -9.306 0.643 1.00 0.00 O ATOM 0 H GLU A 69 -3.779 -10.416 5.347 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.984 -11.005 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.120 -11.081 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.682 -12.404 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.276 -10.926 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.107 -9.507 1.807 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.877 -13.029 3.829 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.376 -14.293 4.358 1.00 0.00 C ATOM 1081 C LYS A 70 -7.282 -14.987 3.345 1.00 0.00 C ATOM 1082 O LYS A 70 -7.963 -14.331 2.556 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.141 -14.057 5.663 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.489 -15.336 6.404 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.697 -15.148 7.304 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.326 -14.426 8.592 1.00 0.00 C ATOM 1087 NZ LYS A 70 -7.929 -15.379 9.665 1.00 0.00 N ATOM 0 H LYS A 70 -6.542 -12.525 3.243 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.520 -14.938 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.543 -13.421 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.060 -13.513 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.690 -16.131 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.635 -15.655 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.462 -14.580 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.130 -16.120 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.506 -13.735 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.173 -13.829 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.684 -14.850 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.720 -16.023 9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.105 -15.931 9.352 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.283 -16.314 3.372 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.106 -17.096 2.457 1.00 0.00 C ATOM 1103 C ASP A 71 -7.819 -16.717 1.008 1.00 0.00 C ATOM 1104 O ASP A 71 -8.671 -16.872 0.135 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.590 -16.889 2.767 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.047 -17.686 3.973 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -9.948 -18.929 3.933 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.504 -17.065 4.956 1.00 0.00 O ATOM 0 H ASP A 71 -6.723 -16.871 4.017 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.858 -18.148 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.777 -15.830 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.183 -17.177 1.899 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.612 -16.219 0.760 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.213 -15.815 -0.583 1.00 0.00 C ATOM 1115 C ASN A 72 -6.928 -14.534 -1.002 1.00 0.00 C ATOM 1116 O ASN A 72 -7.127 -14.284 -2.191 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.515 -16.932 -1.584 1.00 0.00 C ATOM 1118 CG ASN A 72 -5.597 -16.890 -2.791 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -6.056 -16.813 -3.931 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -4.293 -16.942 -2.545 1.00 0.00 N ATOM 0 H ASN A 72 -5.893 -16.086 1.472 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.140 -15.624 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.415 -17.898 -1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.550 -16.849 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.627 -16.919 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.957 -17.005 -1.584 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.312 -13.729 -0.018 1.00 0.00 N ATOM 1128 CA TRP A 73 -8.004 -12.474 -0.285 1.00 0.00 C ATOM 1129 C TRP A 73 -7.182 -11.284 0.198 1.00 0.00 C ATOM 1130 O TRP A 73 -6.243 -11.445 0.978 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.376 -12.470 0.393 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.116 -13.765 0.243 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.734 -14.475 1.233 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.312 -14.505 -0.966 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.304 -15.611 0.711 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.059 -15.652 -0.636 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.931 -14.310 -2.297 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.431 -16.598 -1.588 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -10.300 -15.249 -3.240 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -11.044 -16.382 -2.882 1.00 0.00 C ATOM 0 H TRP A 73 -7.156 -13.923 0.971 1.00 0.00 H new ATOM 0 HA TRP A 73 -8.138 -12.385 -1.363 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.249 -12.253 1.454 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.979 -11.665 -0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.769 -14.186 2.273 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.825 -16.310 1.240 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.358 -13.440 -2.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.005 -17.471 -1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -10.010 -15.108 -4.271 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.317 -17.098 -3.643 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.540 -10.093 -0.269 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.835 -8.878 0.118 1.00 0.00 C ATOM 1153 C ILE A 74 -7.802 -7.712 0.287 1.00 0.00 C ATOM 1154 O ILE A 74 -8.437 -7.272 -0.673 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.764 -8.495 -0.920 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.504 -9.342 -0.722 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.432 -7.013 -0.817 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.737 -9.593 -2.001 1.00 0.00 C ATOM 0 H ILE A 74 -8.314 -9.944 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.349 -9.085 1.071 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.159 -8.691 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.849 -8.843 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.785 -10.299 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.674 -6.758 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.331 -6.425 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.053 -6.794 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.857 -10.199 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.375 -10.120 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.425 -8.641 -2.431 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.909 -7.212 1.514 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.798 -6.093 1.809 1.00 0.00 C ATOM 1172 C HIS A 75 -8.228 -5.227 2.929 1.00 0.00 C ATOM 1173 O HIS A 75 -7.146 -5.503 3.450 1.00 0.00 O ATOM 1174 CB HIS A 75 -10.184 -6.606 2.200 1.00 0.00 C ATOM 1175 CG HIS A 75 -10.217 -7.284 3.536 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.511 -8.622 3.693 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.990 -6.801 4.779 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.465 -8.933 4.976 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.150 -7.845 5.657 1.00 0.00 N ATOM 0 H HIS A 75 -7.392 -7.563 2.320 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.885 -5.482 0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.883 -5.770 2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.532 -7.304 1.439 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -10.730 -9.270 2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.731 -5.784 5.034 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.653 -9.910 5.397 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.961 -4.181 3.293 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.529 -3.277 4.351 1.00 0.00 C ATOM 1190 C ILE A 76 -9.691 -2.903 5.265 1.00 0.00 C ATOM 1191 O ILE A 76 -10.809 -2.673 4.804 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.911 -1.989 3.772 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.906 -1.294 2.841 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.619 -2.307 3.035 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.637 0.185 2.666 1.00 0.00 C ATOM 0 H ILE A 76 -9.857 -3.938 2.871 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.772 -3.807 4.929 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.679 -1.312 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.878 -1.778 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.914 -1.428 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.194 -1.388 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.909 -2.762 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.827 -2.999 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.381 0.613 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.694 0.682 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.642 0.326 2.244 1.00 0.00 H new ATOM 1207 N THR A 77 -9.419 -2.844 6.564 1.00 0.00 N ATOM 1208 CA THR A 77 -10.441 -2.497 7.544 1.00 0.00 C ATOM 1209 C THR A 77 -11.743 -3.237 7.264 1.00 0.00 C ATOM 1210 O THR A 77 -12.821 -2.781 7.644 1.00 0.00 O ATOM 1211 CB THR A 77 -10.717 -0.982 7.556 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.501 -0.636 8.704 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.445 -0.555 6.290 1.00 0.00 C ATOM 0 H THR A 77 -8.499 -3.032 6.963 1.00 0.00 H new ATOM 0 HA THR A 77 -10.058 -2.796 8.520 1.00 0.00 H new ATOM 0 HB THR A 77 -9.761 -0.461 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.236 -1.277 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.629 0.519 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.833 -0.793 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.395 -1.084 6.221 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.637 -4.383 6.598 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.808 -5.186 6.268 1.00 0.00 C ATOM 1223 C GLU A 78 -13.876 -4.336 5.583 1.00 0.00 C ATOM 1224 O GLU A 78 -15.054 -4.407 5.928 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.385 -5.829 7.531 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.431 -6.793 8.214 1.00 0.00 C ATOM 1227 CD GLU A 78 -11.549 -6.110 9.243 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -12.086 -5.340 10.066 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -10.323 -6.346 9.222 1.00 0.00 O ATOM 0 H GLU A 78 -10.752 -4.776 6.277 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.496 -5.971 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.660 -5.044 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.301 -6.360 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.004 -7.583 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.803 -7.271 7.462 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.451 -3.534 4.613 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.369 -2.672 3.879 1.00 0.00 C ATOM 1238 C ALA A 79 -14.602 -3.194 2.466 1.00 0.00 C ATOM 1239 O ALA A 79 -15.738 -3.263 1.997 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.834 -1.247 3.836 1.00 0.00 C ATOM 0 H ALA A 79 -12.477 -3.463 4.317 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.326 -2.674 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.529 -0.614 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.726 -0.868 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.863 -1.238 3.340 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.517 -3.561 1.790 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.603 -4.079 0.429 1.00 0.00 C ATOM 1248 C LYS A 80 -12.374 -4.917 0.088 1.00 0.00 C ATOM 1249 O LYS A 80 -11.247 -4.545 0.412 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.740 -2.926 -0.569 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.626 -3.362 -2.019 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.982 -3.728 -2.601 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.958 -3.717 -4.121 1.00 0.00 C ATOM 1254 NZ LYS A 80 -15.941 -4.675 -4.698 1.00 0.00 N ATOM 0 H LYS A 80 -12.569 -3.509 2.162 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.485 -4.716 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.704 -2.439 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.971 -2.182 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.182 -2.559 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.955 -4.218 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.276 -4.717 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.734 -3.025 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.177 -2.712 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.957 -3.969 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.894 -4.638 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.717 -5.638 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.899 -4.419 -4.386 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.601 -6.049 -0.569 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.514 -6.940 -0.958 1.00 0.00 C ATOM 1270 C LYS A 81 -11.236 -6.839 -2.455 1.00 0.00 C ATOM 1271 O LYS A 81 -12.017 -6.250 -3.202 1.00 0.00 O ATOM 1272 CB LYS A 81 -11.853 -8.385 -0.587 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.213 -8.838 -1.088 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.300 -8.586 -0.057 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.683 -8.587 -0.692 1.00 0.00 C ATOM 1276 NZ LYS A 81 -16.745 -8.925 0.295 1.00 0.00 N ATOM 0 H LYS A 81 -13.529 -6.372 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.617 -6.635 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.087 -9.045 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.821 -8.490 0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.456 -8.311 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.178 -9.901 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.253 -9.352 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.124 -7.628 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.886 -7.606 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.706 -9.306 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.672 -8.915 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.566 -9.871 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.740 -8.225 1.064 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.121 -7.419 -2.884 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.741 -7.395 -4.293 1.00 0.00 C ATOM 1292 C PHE A 82 -8.993 -8.669 -4.676 1.00 0.00 C ATOM 1293 O PHE A 82 -8.619 -9.465 -3.814 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.872 -6.172 -4.587 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.649 -4.887 -4.655 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.483 -4.623 -5.730 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.545 -3.946 -3.645 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.197 -3.441 -5.796 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.258 -2.763 -3.705 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.086 -2.511 -4.780 1.00 0.00 C ATOM 0 H PHE A 82 -9.465 -7.911 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.652 -7.337 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.108 -6.085 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.353 -6.324 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.576 -5.348 -6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.900 -4.138 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.841 -3.245 -6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.167 -2.036 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.646 -1.589 -4.827 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.778 -8.854 -5.973 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.075 -10.030 -6.472 1.00 0.00 C ATOM 1312 C ASP A 83 -6.625 -10.038 -5.995 1.00 0.00 C ATOM 1313 O ASP A 83 -6.045 -11.097 -5.759 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.122 -10.070 -8.000 1.00 0.00 C ATOM 1315 CG ASP A 83 -9.538 -10.165 -8.533 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -10.293 -9.180 -8.392 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -9.891 -11.224 -9.092 1.00 0.00 O ATOM 0 H ASP A 83 -9.081 -8.204 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.574 -10.915 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.646 -9.174 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.545 -10.923 -8.356 1.00 0.00 H new ATOM 1322 N SER A 84 -6.046 -8.850 -5.858 1.00 0.00 N ATOM 1323 CA SER A 84 -4.663 -8.720 -5.415 1.00 0.00 C ATOM 1324 C SER A 84 -4.378 -7.301 -4.930 1.00 0.00 C ATOM 1325 O SER A 84 -5.198 -6.397 -5.101 1.00 0.00 O ATOM 1326 CB SER A 84 -3.705 -9.084 -6.550 1.00 0.00 C ATOM 1327 OG SER A 84 -3.730 -8.104 -7.574 1.00 0.00 O ATOM 0 H SER A 84 -6.513 -7.963 -6.047 1.00 0.00 H new ATOM 0 HA SER A 84 -4.508 -9.408 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.692 -9.179 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.979 -10.054 -6.964 1.00 0.00 H new ATOM 0 HG SER A 84 -4.294 -8.417 -8.312 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.212 -7.113 -4.323 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.817 -5.804 -3.813 1.00 0.00 C ATOM 1335 C LEU A 85 -2.803 -4.766 -4.929 1.00 0.00 C ATOM 1336 O LEU A 85 -2.966 -3.570 -4.680 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.436 -5.885 -3.159 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.781 -4.550 -2.806 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.528 -3.871 -1.669 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.681 -4.754 -2.439 1.00 0.00 C ATOM 0 H LEU A 85 -2.523 -7.850 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.549 -5.497 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.522 -6.477 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.770 -6.428 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.829 -3.902 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.046 -2.922 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.560 -3.689 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.514 -4.514 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.131 -3.793 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.751 -5.420 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.210 -5.195 -3.284 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.611 -5.229 -6.158 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.579 -4.340 -7.315 1.00 0.00 C ATOM 1354 C LEU A 86 -3.966 -3.776 -7.607 1.00 0.00 C ATOM 1355 O LEU A 86 -4.126 -2.573 -7.809 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.051 -5.086 -8.542 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.023 -4.293 -9.849 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.007 -3.164 -9.766 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.710 -5.210 -11.023 1.00 0.00 C ATOM 0 H LEU A 86 -2.475 -6.215 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.910 -3.510 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.039 -5.428 -8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.663 -5.975 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.009 -3.856 -10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.001 -2.610 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.275 -2.492 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.016 -3.579 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.694 -4.628 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.736 -5.676 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.475 -5.983 -11.095 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.964 -4.654 -7.625 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.338 -4.241 -7.890 1.00 0.00 C ATOM 1373 C GLU A 87 -6.800 -3.200 -6.875 1.00 0.00 C ATOM 1374 O GLU A 87 -7.413 -2.194 -7.234 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.272 -5.452 -7.858 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.443 -6.125 -9.210 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.603 -5.557 -10.002 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.530 -4.998 -9.378 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.586 -5.671 -11.246 1.00 0.00 O ATOM 0 H GLU A 87 -4.848 -5.654 -7.460 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.370 -3.792 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.885 -6.180 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.249 -5.137 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.525 -6.012 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.598 -7.194 -9.063 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.503 -3.451 -5.604 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.887 -2.537 -4.534 1.00 0.00 C ATOM 1388 C LEU A 88 -6.295 -1.150 -4.763 1.00 0.00 C ATOM 1389 O LEU A 88 -6.937 -0.137 -4.490 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.429 -3.083 -3.181 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.736 -2.208 -1.965 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.771 -3.049 -0.698 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.711 -1.091 -1.838 1.00 0.00 C ATOM 0 H LEU A 88 -5.998 -4.280 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.974 -2.452 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.893 -4.057 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.352 -3.246 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.718 -1.757 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.991 -2.410 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.544 -3.812 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.803 -3.529 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.946 -0.479 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.716 -1.521 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.735 -0.471 -2.734 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.066 -1.113 -5.268 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.387 0.149 -5.537 1.00 0.00 C ATOM 1407 C VAL A 89 -4.992 0.849 -6.748 1.00 0.00 C ATOM 1408 O VAL A 89 -5.317 2.035 -6.694 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.882 -0.064 -5.779 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.192 1.263 -6.060 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.244 -0.763 -4.589 1.00 0.00 C ATOM 0 H VAL A 89 -4.520 -1.943 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.519 0.775 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.761 -0.702 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.129 1.092 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.631 1.721 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.322 1.928 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.180 -0.905 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.375 -0.153 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.719 -1.733 -4.439 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.139 0.108 -7.842 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.705 0.660 -9.069 1.00 0.00 C ATOM 1423 C GLU A 90 -7.113 1.195 -8.825 1.00 0.00 C ATOM 1424 O GLU A 90 -7.562 2.121 -9.502 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.736 -0.406 -10.166 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.372 -0.694 -10.773 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.468 -1.364 -12.130 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.683 -2.593 -12.172 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.326 -0.658 -13.150 1.00 0.00 O ATOM 0 H GLU A 90 -4.874 -0.875 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.072 1.486 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.143 -1.329 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.415 -0.084 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.818 0.239 -10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.804 -1.332 -10.096 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.803 0.608 -7.855 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.161 1.023 -7.523 1.00 0.00 C ATOM 1438 C TYR A 91 -9.172 2.430 -6.933 1.00 0.00 C ATOM 1439 O TYR A 91 -9.918 3.300 -7.385 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.791 0.040 -6.535 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.282 0.227 -6.362 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.173 -0.192 -7.342 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.799 0.824 -5.219 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.535 -0.023 -7.188 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.159 0.996 -5.055 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.023 0.572 -6.043 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.380 0.743 -5.886 1.00 0.00 O ATOM 0 H TYR A 91 -7.445 -0.157 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.746 1.029 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.598 -0.978 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.305 0.150 -5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.794 -0.658 -8.240 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.125 1.160 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.214 -0.355 -7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.544 1.460 -4.159 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.558 1.176 -5.025 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.337 2.647 -5.922 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.251 3.947 -5.268 1.00 0.00 C ATOM 1459 C TYR A 92 -7.519 4.954 -6.152 1.00 0.00 C ATOM 1460 O TYR A 92 -7.696 6.164 -6.010 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.536 3.818 -3.923 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.241 2.904 -2.947 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.605 3.027 -2.712 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.544 1.918 -2.260 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.254 2.195 -1.820 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.186 1.080 -1.368 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.540 1.223 -1.152 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.182 0.391 -0.263 1.00 0.00 O ATOM 0 H TYR A 92 -7.711 1.939 -5.538 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.265 4.309 -5.099 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.526 3.445 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.439 4.807 -3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.167 3.786 -3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.483 1.804 -2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.314 2.305 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.630 0.317 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.608 -0.377 -0.061 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.698 4.443 -7.064 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.939 5.296 -7.970 1.00 0.00 C ATOM 1480 C GLN A 93 -6.855 6.291 -8.678 1.00 0.00 C ATOM 1481 O GLN A 93 -6.410 7.347 -9.128 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.196 4.446 -9.002 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.805 4.026 -8.556 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.049 3.273 -9.633 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.300 3.454 -10.825 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.118 2.422 -9.219 1.00 0.00 N ATOM 0 H GLN A 93 -6.542 3.444 -7.195 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.213 5.855 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.784 3.554 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.116 5.007 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.237 4.911 -8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.886 3.399 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.943 2.303 -8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.578 1.887 -9.899 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.134 5.945 -8.770 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.113 6.807 -9.423 1.00 0.00 C ATOM 1497 C CYS A 94 -10.256 7.149 -8.474 1.00 0.00 C ATOM 1498 O CYS A 94 -10.842 8.229 -8.555 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.664 6.127 -10.679 1.00 0.00 C ATOM 1500 SG CYS A 94 -10.735 7.185 -11.681 1.00 0.00 S ATOM 0 H CYS A 94 -8.517 5.075 -8.401 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.612 7.732 -9.708 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.829 5.789 -11.292 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.222 5.239 -10.383 1.00 0.00 H new ATOM 0 HG CYS A 94 -11.149 6.523 -12.720 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.569 6.222 -7.574 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.643 6.425 -6.609 1.00 0.00 C ATOM 1508 C HIS A 95 -11.086 6.883 -5.264 1.00 0.00 C ATOM 1509 O HIS A 95 -10.190 6.250 -4.705 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.447 5.137 -6.429 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.469 4.269 -7.651 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.372 2.896 -7.599 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.580 4.589 -8.961 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.420 2.407 -8.826 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.547 3.414 -9.670 1.00 0.00 N ATOM 0 H HIS A 95 -10.094 5.323 -7.493 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.301 7.204 -6.994 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.028 4.570 -5.598 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.471 5.393 -6.156 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.278 2.343 -6.747 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.677 5.583 -9.372 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.365 1.362 -9.093 1.00 0.00 H new ATOM 1524 N SER A 96 -11.620 7.986 -4.752 1.00 0.00 N ATOM 1525 CA SER A 96 -11.174 8.530 -3.475 1.00 0.00 C ATOM 1526 C SER A 96 -11.174 7.454 -2.394 1.00 0.00 C ATOM 1527 O SER A 96 -12.070 6.609 -2.344 1.00 0.00 O ATOM 1528 CB SER A 96 -12.070 9.695 -3.051 1.00 0.00 C ATOM 1529 OG SER A 96 -11.605 10.286 -1.850 1.00 0.00 O ATOM 0 H SER A 96 -12.363 8.521 -5.202 1.00 0.00 H new ATOM 0 HA SER A 96 -10.154 8.893 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.096 10.444 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.092 9.341 -2.914 1.00 0.00 H new ATOM 0 HG SER A 96 -12.194 11.029 -1.602 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.165 7.489 -1.532 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.048 6.516 -0.450 1.00 0.00 C ATOM 1537 C LEU A 97 -11.178 6.688 0.561 1.00 0.00 C ATOM 1538 O LEU A 97 -11.329 5.883 1.480 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.695 6.662 0.249 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.530 5.896 -0.378 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.204 6.527 0.016 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.570 4.432 0.036 1.00 0.00 C ATOM 0 H LEU A 97 -9.415 8.180 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.121 5.518 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.435 7.720 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.805 6.334 1.283 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.627 5.949 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.386 5.969 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.175 7.560 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.099 6.505 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.733 3.902 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.498 4.359 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.507 3.985 -0.297 1.00 0.00 H new ATOM 1554 N LYS A 98 -11.969 7.740 0.384 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.086 8.016 1.277 1.00 0.00 C ATOM 1556 C LYS A 98 -13.913 6.757 1.519 1.00 0.00 C ATOM 1557 O LYS A 98 -14.442 6.553 2.612 1.00 0.00 O ATOM 1558 CB LYS A 98 -13.974 9.117 0.692 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.035 8.599 -0.265 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.663 9.727 -1.065 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.936 9.275 -1.763 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.091 9.211 -0.824 1.00 0.00 N ATOM 0 H LYS A 98 -11.856 8.416 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.681 8.353 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.462 9.650 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.346 9.839 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.589 7.873 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.809 8.076 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.888 10.563 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.950 10.090 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.167 9.962 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.776 8.294 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.947 8.932 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.895 8.512 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.239 10.145 -0.391 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.018 5.917 0.495 1.00 0.00 N ATOM 1577 CA GLU A 99 -14.780 4.678 0.599 1.00 0.00 C ATOM 1578 C GLU A 99 -14.500 3.976 1.925 1.00 0.00 C ATOM 1579 O GLU A 99 -15.420 3.655 2.676 1.00 0.00 O ATOM 1580 CB GLU A 99 -14.440 3.745 -0.565 1.00 0.00 C ATOM 1581 CG GLU A 99 -14.739 4.343 -1.931 1.00 0.00 C ATOM 1582 CD GLU A 99 -16.189 4.761 -2.080 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.059 3.869 -2.167 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -16.454 5.982 -2.109 1.00 0.00 O ATOM 0 H GLU A 99 -13.585 6.071 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.840 4.929 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.383 3.485 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.002 2.818 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.097 5.209 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.493 3.615 -2.704 1.00 0.00 H new ATOM 1591 N SER A 100 -13.222 3.741 2.204 1.00 0.00 N ATOM 1592 CA SER A 100 -12.819 3.074 3.437 1.00 0.00 C ATOM 1593 C SER A 100 -12.855 4.042 4.615 1.00 0.00 C ATOM 1594 O SER A 100 -13.425 3.740 5.664 1.00 0.00 O ATOM 1595 CB SER A 100 -11.415 2.486 3.288 1.00 0.00 C ATOM 1596 OG SER A 100 -10.738 2.459 4.533 1.00 0.00 O ATOM 0 H SER A 100 -12.448 4.002 1.593 1.00 0.00 H new ATOM 0 HA SER A 100 -13.525 2.266 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.482 1.475 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.844 3.078 2.573 1.00 0.00 H new ATOM 0 HG SER A 100 -9.875 2.916 4.446 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.242 5.206 4.435 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.202 6.220 5.483 1.00 0.00 C ATOM 1604 C PHE A 101 -12.779 7.542 4.983 1.00 0.00 C ATOM 1605 O PHE A 101 -12.088 8.330 4.338 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.766 6.428 5.966 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.032 5.145 6.236 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.196 4.478 7.439 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.179 4.607 5.287 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.523 3.298 7.690 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.502 3.427 5.533 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.675 2.772 6.736 1.00 0.00 C ATOM 0 H PHE A 101 -11.766 5.472 3.573 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.811 5.870 6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.218 7.000 5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.781 7.027 6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.858 4.885 8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.041 5.115 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.660 2.787 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.839 3.018 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.148 1.850 6.930 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.051 7.777 5.287 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.723 9.003 4.871 1.00 0.00 C ATOM 1624 C LYS A 102 -13.871 10.226 5.191 1.00 0.00 C ATOM 1625 O LYS A 102 -13.874 11.207 4.447 1.00 0.00 O ATOM 1626 CB LYS A 102 -16.084 9.121 5.561 1.00 0.00 C ATOM 1627 CG LYS A 102 -16.006 9.043 7.076 1.00 0.00 C ATOM 1628 CD LYS A 102 -17.362 9.292 7.718 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.639 10.779 7.874 1.00 0.00 C ATOM 1630 NZ LYS A 102 -18.647 11.046 8.937 1.00 0.00 N ATOM 0 H LYS A 102 -14.637 7.135 5.820 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.872 8.959 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.545 10.067 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.736 8.327 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.637 8.061 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.288 9.777 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.143 8.837 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.398 8.810 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -16.711 11.298 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.994 11.184 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.809 12.071 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.540 10.572 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.297 10.683 9.846 1.00 0.00 H new ATOM 1644 N GLN A 103 -13.141 10.161 6.299 1.00 0.00 N ATOM 1645 CA GLN A 103 -12.283 11.263 6.715 1.00 0.00 C ATOM 1646 C GLN A 103 -11.166 11.496 5.704 1.00 0.00 C ATOM 1647 O GLN A 103 -10.713 12.626 5.512 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.687 10.981 8.096 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.571 11.435 9.246 1.00 0.00 C ATOM 1650 CD GLN A 103 -12.134 10.862 10.580 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -12.204 9.652 10.802 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -11.679 11.730 11.476 1.00 0.00 N ATOM 0 H GLN A 103 -13.127 9.356 6.925 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.893 12.164 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.503 9.911 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.720 11.479 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.558 12.524 9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.601 11.138 9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.639 12.724 11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.370 11.403 12.391 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.726 10.421 5.058 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.661 10.508 4.065 1.00 0.00 C ATOM 1663 C LEU A 104 -10.236 10.573 2.654 1.00 0.00 C ATOM 1664 O LEU A 104 -10.844 9.616 2.176 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.722 9.308 4.190 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.280 9.533 3.731 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.427 10.039 4.883 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.696 8.250 3.157 1.00 0.00 C ATOM 0 H LEU A 104 -11.090 9.480 5.204 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.099 11.423 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.705 8.992 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.141 8.483 3.614 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.283 10.290 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.405 10.193 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.833 10.982 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.431 9.305 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.670 8.429 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.707 7.472 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.293 7.929 2.303 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.039 11.709 1.993 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.536 11.899 0.635 1.00 0.00 C ATOM 1682 C ASP A 105 -9.395 12.248 -0.317 1.00 0.00 C ATOM 1683 O ASP A 105 -9.012 13.411 -0.445 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.595 13.001 0.605 1.00 0.00 C ATOM 1685 CG ASP A 105 -11.093 14.303 1.197 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -10.807 14.332 2.411 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -10.986 15.294 0.443 1.00 0.00 O ATOM 0 H ASP A 105 -9.539 12.512 2.375 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.988 10.963 0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.909 13.171 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.475 12.670 1.156 1.00 0.00 H new ATOM 1692 N THR A 106 -8.856 11.231 -0.983 1.00 0.00 N ATOM 1693 CA THR A 106 -7.758 11.430 -1.921 1.00 0.00 C ATOM 1694 C THR A 106 -7.508 10.173 -2.749 1.00 0.00 C ATOM 1695 O THR A 106 -7.782 9.058 -2.303 1.00 0.00 O ATOM 1696 CB THR A 106 -6.457 11.816 -1.191 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.504 12.331 -2.127 1.00 0.00 O ATOM 1698 CG2 THR A 106 -5.867 10.616 -0.466 1.00 0.00 C ATOM 0 H THR A 106 -9.162 10.262 -0.890 1.00 0.00 H new ATOM 0 HA THR A 106 -8.051 12.246 -2.582 1.00 0.00 H new ATOM 0 HB THR A 106 -6.694 12.584 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.681 12.575 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.949 10.913 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.584 10.245 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.645 9.829 -1.186 1.00 0.00 H new ATOM 1706 N THR A 107 -6.985 10.360 -3.956 1.00 0.00 N ATOM 1707 CA THR A 107 -6.699 9.243 -4.846 1.00 0.00 C ATOM 1708 C THR A 107 -5.235 9.240 -5.273 1.00 0.00 C ATOM 1709 O THR A 107 -4.702 10.263 -5.704 1.00 0.00 O ATOM 1710 CB THR A 107 -7.588 9.283 -6.103 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.471 10.558 -6.745 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.042 9.021 -5.746 1.00 0.00 C ATOM 0 H THR A 107 -6.751 11.276 -4.340 1.00 0.00 H new ATOM 0 HA THR A 107 -6.914 8.332 -4.287 1.00 0.00 H new ATOM 0 HB THR A 107 -7.252 8.501 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.602 10.956 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.650 9.054 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.132 8.038 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.388 9.783 -5.047 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.590 8.085 -5.151 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.186 7.949 -5.524 1.00 0.00 C ATOM 1722 C LEU A 108 -2.855 8.831 -6.724 1.00 0.00 C ATOM 1723 O LEU A 108 -3.228 8.524 -7.856 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.863 6.489 -5.845 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.450 5.446 -4.893 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -2.935 4.058 -5.239 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.122 5.797 -3.450 1.00 0.00 C ATOM 0 H LEU A 108 -5.017 7.229 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.577 8.272 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.218 6.272 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.779 6.372 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.534 5.446 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.363 3.329 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.223 3.807 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.848 4.042 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.548 5.044 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.040 5.826 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.543 6.773 -3.208 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.149 9.928 -6.469 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.764 10.853 -7.527 1.00 0.00 C ATOM 1741 C LYS A 109 -0.335 10.584 -7.992 1.00 0.00 C ATOM 1742 O LYS A 109 -0.118 10.022 -9.064 1.00 0.00 O ATOM 1743 CB LYS A 109 -1.889 12.299 -7.039 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.255 12.911 -7.294 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.388 14.272 -6.632 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.842 14.612 -6.343 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.978 15.912 -5.632 1.00 0.00 N ATOM 0 H LYS A 109 -1.832 10.198 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.437 10.701 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.679 12.332 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.130 12.907 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.416 13.010 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.030 12.244 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.819 14.283 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.956 15.036 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.399 14.651 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.287 13.820 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.984 16.107 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.468 15.867 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.577 16.672 -6.218 1.00 0.00 H new ATOM 1761 N TYR A 110 0.632 10.988 -7.177 1.00 0.00 N ATOM 1762 CA TYR A 110 2.039 10.790 -7.505 1.00 0.00 C ATOM 1763 C TYR A 110 2.704 9.844 -6.510 1.00 0.00 C ATOM 1764 O TYR A 110 2.339 9.782 -5.335 1.00 0.00 O ATOM 1765 CB TYR A 110 2.774 12.132 -7.519 1.00 0.00 C ATOM 1766 CG TYR A 110 1.987 13.247 -8.168 1.00 0.00 C ATOM 1767 CD1 TYR A 110 2.065 13.474 -9.537 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.163 14.073 -7.413 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.347 14.493 -10.134 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.441 15.093 -8.001 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.536 15.300 -9.362 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.181 16.313 -9.953 1.00 0.00 O ATOM 0 H TYR A 110 0.468 11.454 -6.285 1.00 0.00 H new ATOM 0 HA TYR A 110 2.095 10.341 -8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.013 12.416 -6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.721 12.013 -8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.697 12.844 -10.145 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.086 13.914 -6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.420 14.657 -11.199 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.195 15.725 -7.399 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.702 16.786 -9.271 1.00 0.00 H new ATOM 1782 N PRO A 111 3.703 9.088 -6.989 1.00 0.00 N ATOM 1783 CA PRO A 111 4.441 8.132 -6.159 1.00 0.00 C ATOM 1784 C PRO A 111 5.327 8.822 -5.127 1.00 0.00 C ATOM 1785 O PRO A 111 5.324 10.049 -5.014 1.00 0.00 O ATOM 1786 CB PRO A 111 5.296 7.367 -7.173 1.00 0.00 C ATOM 1787 CG PRO A 111 5.460 8.310 -8.316 1.00 0.00 C ATOM 1788 CD PRO A 111 4.189 9.110 -8.378 1.00 0.00 C ATOM 0 HA PRO A 111 3.773 7.496 -5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.260 7.088 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.808 6.445 -7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.323 8.959 -8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.626 7.769 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.371 10.128 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.467 8.665 -9.063 1.00 0.00 H new ATOM 1796 N TYR A 112 6.083 8.028 -4.379 1.00 0.00 N ATOM 1797 CA TYR A 112 6.974 8.564 -3.355 1.00 0.00 C ATOM 1798 C TYR A 112 8.330 8.930 -3.950 1.00 0.00 C ATOM 1799 O TYR A 112 8.533 8.843 -5.162 1.00 0.00 O ATOM 1800 CB TYR A 112 7.157 7.547 -2.227 1.00 0.00 C ATOM 1801 CG TYR A 112 8.293 6.577 -2.464 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.468 5.970 -3.702 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.193 6.268 -1.451 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.504 5.084 -3.924 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.232 5.385 -1.663 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.384 4.794 -2.901 1.00 0.00 C ATOM 1807 OH TYR A 112 11.417 3.912 -3.117 1.00 0.00 O ATOM 0 H TYR A 112 6.098 7.011 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 112 6.520 9.468 -2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.335 8.081 -1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.231 6.986 -2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.782 6.195 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.077 6.727 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.625 4.621 -4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.923 5.158 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 112 11.945 3.819 -2.296 1.00 0.00 H new ATOM 1817 N SER A 113 9.255 9.341 -3.089 1.00 0.00 N ATOM 1818 CA SER A 113 10.592 9.724 -3.528 1.00 0.00 C ATOM 1819 C SER A 113 11.579 8.578 -3.329 1.00 0.00 C ATOM 1820 O SER A 113 11.980 7.917 -4.285 1.00 0.00 O ATOM 1821 CB SER A 113 11.067 10.961 -2.763 1.00 0.00 C ATOM 1822 OG SER A 113 12.427 11.243 -3.044 1.00 0.00 O ATOM 0 H SER A 113 9.103 9.417 -2.083 1.00 0.00 H new ATOM 0 HA SER A 113 10.546 9.958 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.451 11.819 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.939 10.802 -1.692 1.00 0.00 H new ATOM 0 HG SER A 113 12.706 12.039 -2.545 1.00 0.00 H new ATOM 1828 N GLY A 114 11.966 8.350 -2.078 1.00 0.00 N ATOM 1829 CA GLY A 114 12.903 7.283 -1.775 1.00 0.00 C ATOM 1830 C GLY A 114 13.555 7.454 -0.417 1.00 0.00 C ATOM 1831 O GLY A 114 13.300 8.420 0.302 1.00 0.00 O ATOM 0 H GLY A 114 11.648 8.884 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.382 6.326 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.675 7.252 -2.544 1.00 0.00 H new ATOM 1835 N PRO A 115 14.420 6.497 -0.047 1.00 0.00 N ATOM 1836 CA PRO A 115 15.128 6.523 1.237 1.00 0.00 C ATOM 1837 C PRO A 115 16.175 7.630 1.298 1.00 0.00 C ATOM 1838 O PRO A 115 17.365 7.383 1.102 1.00 0.00 O ATOM 1839 CB PRO A 115 15.798 5.148 1.299 1.00 0.00 C ATOM 1840 CG PRO A 115 15.953 4.737 -0.125 1.00 0.00 C ATOM 1841 CD PRO A 115 14.772 5.316 -0.854 1.00 0.00 C ATOM 0 HA PRO A 115 14.455 6.722 2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 115 16.763 5.200 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.187 4.435 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 115 16.889 5.111 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.975 3.651 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 115 15.026 5.590 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.946 4.606 -0.910 1.00 0.00 H new ATOM 1849 N SER A 116 15.724 8.850 1.573 1.00 0.00 N ATOM 1850 CA SER A 116 16.623 9.994 1.659 1.00 0.00 C ATOM 1851 C SER A 116 16.546 10.643 3.037 1.00 0.00 C ATOM 1852 O SER A 116 15.460 10.893 3.559 1.00 0.00 O ATOM 1853 CB SER A 116 16.276 11.023 0.579 1.00 0.00 C ATOM 1854 OG SER A 116 14.946 11.489 0.727 1.00 0.00 O ATOM 0 H SER A 116 14.742 9.071 1.740 1.00 0.00 H new ATOM 0 HA SER A 116 17.641 9.638 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 116 16.968 11.863 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 116 16.400 10.576 -0.407 1.00 0.00 H new ATOM 0 HG SER A 116 14.750 12.146 0.027 1.00 0.00 H new ATOM 1860 N SER A 117 17.710 10.914 3.622 1.00 0.00 N ATOM 1861 CA SER A 117 17.777 11.530 4.942 1.00 0.00 C ATOM 1862 C SER A 117 17.878 13.048 4.829 1.00 0.00 C ATOM 1863 O SER A 117 18.384 13.575 3.839 1.00 0.00 O ATOM 1864 CB SER A 117 18.974 10.984 5.722 1.00 0.00 C ATOM 1865 OG SER A 117 18.791 11.149 7.118 1.00 0.00 O ATOM 0 H SER A 117 18.618 10.716 3.202 1.00 0.00 H new ATOM 0 HA SER A 117 16.860 11.284 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.110 9.927 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.882 11.498 5.408 1.00 0.00 H new ATOM 0 HG SER A 117 19.569 10.791 7.594 1.00 0.00 H new ATOM 1871 N GLY A 118 17.393 13.745 5.852 1.00 0.00 N ATOM 1872 CA GLY A 118 17.438 15.195 5.847 1.00 0.00 C ATOM 1873 C GLY A 118 18.418 15.749 6.864 1.00 0.00 C ATOM 1874 O GLY A 118 19.243 16.602 6.540 1.00 0.00 O ATOM 0 H GLY A 118 16.970 13.332 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 118 17.716 15.543 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 118 16.443 15.587 6.055 1.00 0.00 H new TER 1878 GLY A 118