USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 41 GLN : amide:sc= -1.43 K(o=3,f=-23!) USER MOD Set 1.2: A 44 SER OG : rot -68:sc= 0.926 USER MOD Set 1.3: A 66 GLN : amide:sc= 1.97 K(o=3,f=-20!) USER MOD Set 1.4: A 70 LYS NZ :NH3+ -174:sc= 1.52! (180deg=0.409) USER MOD Single : A 1 GLY N :NH3+ -151:sc= -0.11 (180deg=-0.942) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 161:sc=-0.00989 (180deg=-0.542) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.927 K(o=0.93,f=-6.7!) USER MOD Single : A 9 SER OG : rot 170:sc= -1.03 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 105:sc= 1.14 USER MOD Single : A 16 THR OG1 : rot 99:sc= 1.04 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.91 K(o=0.91,f=-8.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 40:sc= 1.08 USER MOD Single : A 58 THR OG1 : rot 140:sc= 1.38 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.57 (180deg=1.35) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 70:sc= 0.916 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc=-0.00045 (180deg=-0.00045) USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= 0.904 (180deg=0.688) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 3:sc= 0.821 USER MOD Single : A 84 ASN : amide:sc= -0.573 K(o=-0.57,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.722 K(o=0.72,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.580 -31.267 -3.807 1.00 2.48 N ATOM 2 CA GLY A 1 12.294 -32.409 -2.883 1.00 2.51 C ATOM 3 C GLY A 1 13.152 -32.285 -1.619 1.00 2.70 C ATOM 4 O GLY A 1 13.933 -31.364 -1.486 1.00 2.85 O ATOM 0 H1 GLY A 1 11.733 -31.058 -4.374 1.00 2.48 H new ATOM 0 H2 GLY A 1 12.840 -30.427 -3.251 1.00 2.48 H new ATOM 0 H3 GLY A 1 13.366 -31.521 -4.439 1.00 2.48 H new ATOM 0 HA2 GLY A 1 11.237 -32.416 -2.616 1.00 2.51 H new ATOM 0 HA3 GLY A 1 12.503 -33.354 -3.384 1.00 2.51 H new ATOM 10 N SER A 2 13.006 -33.205 -0.689 1.00 2.79 N ATOM 11 CA SER A 2 13.804 -33.146 0.582 1.00 3.05 C ATOM 12 C SER A 2 13.574 -31.798 1.283 1.00 2.89 C ATOM 13 O SER A 2 14.498 -31.052 1.543 1.00 3.12 O ATOM 14 CB SER A 2 15.270 -33.301 0.154 1.00 3.47 C ATOM 15 OG SER A 2 15.900 -34.275 0.981 1.00 3.98 O ATOM 0 H SER A 2 12.366 -33.996 -0.757 1.00 2.79 H new ATOM 0 HA SER A 2 13.515 -33.924 1.288 1.00 3.05 H new ATOM 0 HB2 SER A 2 15.326 -33.604 -0.892 1.00 3.47 H new ATOM 0 HB3 SER A 2 15.788 -32.346 0.237 1.00 3.47 H new ATOM 0 HG SER A 2 16.836 -34.378 0.710 1.00 3.98 H new ATOM 21 N MET A 3 12.338 -31.478 1.575 1.00 2.55 N ATOM 22 CA MET A 3 12.033 -30.175 2.240 1.00 2.44 C ATOM 23 C MET A 3 10.917 -30.333 3.281 1.00 2.34 C ATOM 24 O MET A 3 10.264 -31.357 3.359 1.00 2.38 O ATOM 25 CB MET A 3 11.584 -29.250 1.096 1.00 2.22 C ATOM 26 CG MET A 3 10.195 -29.667 0.582 1.00 1.89 C ATOM 27 SD MET A 3 10.366 -31.047 -0.579 1.00 1.94 S ATOM 28 CE MET A 3 9.082 -32.103 0.134 1.00 1.85 C ATOM 0 H MET A 3 11.526 -32.064 1.381 1.00 2.55 H new ATOM 0 HA MET A 3 12.894 -29.780 2.779 1.00 2.44 H new ATOM 0 HB2 MET A 3 11.555 -28.218 1.445 1.00 2.22 H new ATOM 0 HB3 MET A 3 12.307 -29.291 0.282 1.00 2.22 H new ATOM 0 HG2 MET A 3 9.559 -29.959 1.418 1.00 1.89 H new ATOM 0 HG3 MET A 3 9.709 -28.824 0.091 1.00 1.89 H new ATOM 0 HE1 MET A 3 8.776 -32.849 -0.599 1.00 1.85 H new ATOM 0 HE2 MET A 3 9.473 -32.604 1.020 1.00 1.85 H new ATOM 0 HE3 MET A 3 8.222 -31.493 0.412 1.00 1.85 H new ATOM 38 N SER A 4 10.692 -29.317 4.072 1.00 2.31 N ATOM 39 CA SER A 4 9.612 -29.383 5.107 1.00 2.32 C ATOM 40 C SER A 4 8.273 -28.917 4.521 1.00 2.05 C ATOM 41 O SER A 4 7.219 -29.330 4.960 1.00 2.13 O ATOM 42 CB SER A 4 10.063 -28.437 6.223 1.00 2.57 C ATOM 43 OG SER A 4 10.383 -27.166 5.660 1.00 2.53 O ATOM 0 H SER A 4 11.211 -28.439 4.047 1.00 2.31 H new ATOM 0 HA SER A 4 9.461 -30.400 5.469 1.00 2.32 H new ATOM 0 HB2 SER A 4 9.273 -28.330 6.967 1.00 2.57 H new ATOM 0 HB3 SER A 4 10.931 -28.849 6.737 1.00 2.57 H new ATOM 0 HG SER A 4 10.671 -26.556 6.371 1.00 2.53 H new ATOM 49 N ILE A 5 8.309 -28.049 3.543 1.00 1.82 N ATOM 50 CA ILE A 5 7.044 -27.537 2.930 1.00 1.61 C ATOM 51 C ILE A 5 6.539 -28.492 1.826 1.00 1.37 C ATOM 52 O ILE A 5 6.668 -29.697 1.930 1.00 1.45 O ATOM 53 CB ILE A 5 7.421 -26.162 2.354 1.00 1.59 C ATOM 54 CG1 ILE A 5 8.391 -26.347 1.168 1.00 1.53 C ATOM 55 CG2 ILE A 5 8.065 -25.298 3.449 1.00 1.90 C ATOM 56 CD1 ILE A 5 9.473 -25.267 1.181 1.00 1.83 C ATOM 0 H ILE A 5 9.166 -27.670 3.139 1.00 1.82 H new ATOM 0 HA ILE A 5 6.231 -27.466 3.653 1.00 1.61 H new ATOM 0 HB ILE A 5 6.523 -25.657 1.997 1.00 1.59 H new ATOM 0 HG12 ILE A 5 8.853 -27.333 1.220 1.00 1.53 H new ATOM 0 HG13 ILE A 5 7.838 -26.304 0.230 1.00 1.53 H new ATOM 0 HG21 ILE A 5 8.330 -24.325 3.036 1.00 1.90 H new ATOM 0 HG22 ILE A 5 7.359 -25.164 4.269 1.00 1.90 H new ATOM 0 HG23 ILE A 5 8.963 -25.791 3.821 1.00 1.90 H new ATOM 0 HD11 ILE A 5 10.146 -25.416 0.337 1.00 1.83 H new ATOM 0 HD12 ILE A 5 9.007 -24.284 1.105 1.00 1.83 H new ATOM 0 HD13 ILE A 5 10.038 -25.329 2.111 1.00 1.83 H new ATOM 68 N MET A 6 5.959 -27.958 0.775 1.00 1.16 N ATOM 69 CA MET A 6 5.438 -28.826 -0.330 1.00 1.00 C ATOM 70 C MET A 6 6.528 -29.112 -1.367 1.00 0.94 C ATOM 71 O MET A 6 7.023 -30.220 -1.432 1.00 1.05 O ATOM 72 CB MET A 6 4.270 -28.035 -0.936 1.00 0.98 C ATOM 73 CG MET A 6 2.949 -28.504 -0.315 1.00 1.26 C ATOM 74 SD MET A 6 2.171 -27.123 0.562 1.00 1.74 S ATOM 75 CE MET A 6 1.943 -27.953 2.154 1.00 2.43 C ATOM 0 H MET A 6 5.824 -26.957 0.635 1.00 1.16 H new ATOM 0 HA MET A 6 5.116 -29.803 0.030 1.00 1.00 H new ATOM 0 HB2 MET A 6 4.409 -26.969 -0.757 1.00 0.98 H new ATOM 0 HB3 MET A 6 4.245 -28.176 -2.017 1.00 0.98 H new ATOM 0 HG2 MET A 6 2.282 -28.878 -1.092 1.00 1.26 H new ATOM 0 HG3 MET A 6 3.131 -29.330 0.373 1.00 1.26 H new ATOM 0 HE1 MET A 6 1.469 -27.268 2.857 1.00 2.43 H new ATOM 0 HE2 MET A 6 1.310 -28.830 2.020 1.00 2.43 H new ATOM 0 HE3 MET A 6 2.912 -28.262 2.546 1.00 2.43 H new ATOM 85 N ASP A 7 6.890 -28.143 -2.187 1.00 0.90 N ATOM 86 CA ASP A 7 7.943 -28.367 -3.246 1.00 1.06 C ATOM 87 C ASP A 7 7.446 -29.395 -4.282 1.00 1.03 C ATOM 88 O ASP A 7 7.440 -29.132 -5.469 1.00 1.16 O ATOM 89 CB ASP A 7 9.195 -28.864 -2.490 1.00 1.32 C ATOM 90 CG ASP A 7 10.240 -29.438 -3.458 1.00 1.51 C ATOM 91 OD1 ASP A 7 9.997 -30.499 -4.014 1.00 1.51 O ATOM 92 OD2 ASP A 7 11.285 -28.826 -3.602 1.00 1.77 O ATOM 0 H ASP A 7 6.499 -27.201 -2.169 1.00 0.90 H new ATOM 0 HA ASP A 7 8.169 -27.460 -3.806 1.00 1.06 H new ATOM 0 HB2 ASP A 7 9.633 -28.040 -1.926 1.00 1.32 H new ATOM 0 HB3 ASP A 7 8.907 -29.628 -1.768 1.00 1.32 H new ATOM 97 N HIS A 8 7.008 -30.549 -3.840 1.00 0.99 N ATOM 98 CA HIS A 8 6.497 -31.578 -4.797 1.00 1.11 C ATOM 99 C HIS A 8 4.979 -31.407 -4.995 1.00 1.13 C ATOM 100 O HIS A 8 4.225 -32.363 -4.969 1.00 1.31 O ATOM 101 CB HIS A 8 6.819 -32.923 -4.134 1.00 1.17 C ATOM 102 CG HIS A 8 8.073 -33.501 -4.733 1.00 1.42 C ATOM 103 ND1 HIS A 8 9.258 -32.784 -4.815 1.00 1.52 N ATOM 104 CD2 HIS A 8 8.340 -34.729 -5.283 1.00 1.71 C ATOM 105 CE1 HIS A 8 10.174 -33.582 -5.398 1.00 1.83 C ATOM 106 NE2 HIS A 8 9.666 -34.779 -5.701 1.00 1.95 N ATOM 0 H HIS A 8 6.983 -30.822 -2.858 1.00 0.99 H new ATOM 0 HA HIS A 8 6.951 -31.497 -5.785 1.00 1.11 H new ATOM 0 HB2 HIS A 8 6.947 -32.788 -3.060 1.00 1.17 H new ATOM 0 HB3 HIS A 8 5.988 -33.614 -4.271 1.00 1.17 H new ATOM 0 HD1 HIS A 8 9.408 -31.828 -4.493 1.00 1.52 H new ATOM 0 HD2 HIS A 8 7.628 -35.536 -5.377 1.00 1.71 H new ATOM 0 HE1 HIS A 8 11.194 -33.289 -5.596 1.00 1.83 H new ATOM 114 N SER A 9 4.529 -30.192 -5.199 1.00 1.10 N ATOM 115 CA SER A 9 3.070 -29.940 -5.405 1.00 1.25 C ATOM 116 C SER A 9 2.857 -28.587 -6.102 1.00 1.33 C ATOM 117 O SER A 9 3.584 -27.639 -5.841 1.00 1.21 O ATOM 118 CB SER A 9 2.459 -29.916 -4.002 1.00 1.19 C ATOM 119 OG SER A 9 1.067 -29.620 -4.101 1.00 1.43 O ATOM 0 H SER A 9 5.116 -29.358 -5.232 1.00 1.10 H new ATOM 0 HA SER A 9 2.611 -30.702 -6.035 1.00 1.25 H new ATOM 0 HB2 SER A 9 2.604 -30.879 -3.513 1.00 1.19 H new ATOM 0 HB3 SER A 9 2.959 -29.168 -3.387 1.00 1.19 H new ATOM 0 HG SER A 9 0.640 -29.761 -3.230 1.00 1.43 H new ATOM 125 N PRO A 10 1.863 -28.538 -6.965 1.00 1.61 N ATOM 126 CA PRO A 10 1.555 -27.282 -7.710 1.00 1.76 C ATOM 127 C PRO A 10 1.038 -26.182 -6.770 1.00 1.65 C ATOM 128 O PRO A 10 1.052 -25.012 -7.110 1.00 1.73 O ATOM 129 CB PRO A 10 0.482 -27.713 -8.710 1.00 2.12 C ATOM 130 CG PRO A 10 -0.150 -28.919 -8.095 1.00 2.13 C ATOM 131 CD PRO A 10 0.935 -29.622 -7.324 1.00 1.84 C ATOM 0 HA PRO A 10 2.433 -26.852 -8.192 1.00 1.76 H new ATOM 0 HB2 PRO A 10 -0.250 -26.921 -8.871 1.00 2.12 H new ATOM 0 HB3 PRO A 10 0.918 -27.947 -9.682 1.00 2.12 H new ATOM 0 HG2 PRO A 10 -0.971 -28.634 -7.437 1.00 2.13 H new ATOM 0 HG3 PRO A 10 -0.567 -29.572 -8.861 1.00 2.13 H new ATOM 0 HD2 PRO A 10 0.539 -30.120 -6.439 1.00 1.84 H new ATOM 0 HD3 PRO A 10 1.425 -30.386 -7.928 1.00 1.84 H new ATOM 139 N THR A 11 0.602 -26.539 -5.586 1.00 1.56 N ATOM 140 CA THR A 11 0.107 -25.498 -4.626 1.00 1.55 C ATOM 141 C THR A 11 1.266 -24.591 -4.194 1.00 1.30 C ATOM 142 O THR A 11 1.073 -23.425 -3.908 1.00 1.31 O ATOM 143 CB THR A 11 -0.472 -26.266 -3.428 1.00 1.61 C ATOM 144 OG1 THR A 11 -1.233 -25.368 -2.630 1.00 1.76 O ATOM 145 CG2 THR A 11 0.655 -26.878 -2.587 1.00 1.43 C ATOM 0 H THR A 11 0.567 -27.499 -5.243 1.00 1.56 H new ATOM 0 HA THR A 11 -0.649 -24.855 -5.076 1.00 1.55 H new ATOM 0 HB THR A 11 -1.108 -27.073 -3.792 1.00 1.61 H new ATOM 0 HG1 THR A 11 -1.608 -25.849 -1.863 1.00 1.76 H new ATOM 0 HG21 THR A 11 0.227 -27.418 -1.743 1.00 1.43 H new ATOM 0 HG22 THR A 11 1.235 -27.566 -3.202 1.00 1.43 H new ATOM 0 HG23 THR A 11 1.305 -26.085 -2.218 1.00 1.43 H new ATOM 153 N THR A 12 2.471 -25.118 -4.162 1.00 1.12 N ATOM 154 CA THR A 12 3.659 -24.296 -3.768 1.00 0.94 C ATOM 155 C THR A 12 3.704 -23.001 -4.582 1.00 1.01 C ATOM 156 O THR A 12 4.086 -21.955 -4.086 1.00 0.94 O ATOM 157 CB THR A 12 4.882 -25.167 -4.089 1.00 0.93 C ATOM 158 OG1 THR A 12 4.596 -26.535 -3.807 1.00 0.92 O ATOM 159 CG2 THR A 12 6.060 -24.710 -3.234 1.00 0.97 C ATOM 0 H THR A 12 2.681 -26.089 -4.394 1.00 1.12 H new ATOM 0 HA THR A 12 3.625 -24.013 -2.716 1.00 0.94 H new ATOM 0 HB THR A 12 5.128 -25.066 -5.146 1.00 0.93 H new ATOM 0 HG1 THR A 12 4.447 -27.018 -4.647 1.00 0.92 H new ATOM 0 HG21 THR A 12 6.932 -25.325 -3.457 1.00 0.97 H new ATOM 0 HG22 THR A 12 6.286 -23.667 -3.454 1.00 0.97 H new ATOM 0 HG23 THR A 12 5.805 -24.812 -2.179 1.00 0.97 H new ATOM 167 N GLY A 13 3.298 -23.062 -5.822 1.00 1.22 N ATOM 168 CA GLY A 13 3.293 -21.838 -6.682 1.00 1.36 C ATOM 169 C GLY A 13 2.164 -20.916 -6.226 1.00 1.37 C ATOM 170 O GLY A 13 2.382 -19.755 -5.927 1.00 1.29 O ATOM 0 H GLY A 13 2.967 -23.911 -6.281 1.00 1.22 H new ATOM 0 HA2 GLY A 13 4.251 -21.324 -6.611 1.00 1.36 H new ATOM 0 HA3 GLY A 13 3.156 -22.113 -7.728 1.00 1.36 H new ATOM 174 N VAL A 14 0.963 -21.437 -6.149 1.00 1.51 N ATOM 175 CA VAL A 14 -0.196 -20.612 -5.685 1.00 1.62 C ATOM 176 C VAL A 14 0.116 -20.020 -4.301 1.00 1.42 C ATOM 177 O VAL A 14 -0.194 -18.878 -4.020 1.00 1.44 O ATOM 178 CB VAL A 14 -1.378 -21.590 -5.613 1.00 1.84 C ATOM 179 CG1 VAL A 14 -2.578 -20.917 -4.939 1.00 2.00 C ATOM 180 CG2 VAL A 14 -1.776 -22.018 -7.029 1.00 2.09 C ATOM 0 H VAL A 14 0.735 -22.402 -6.389 1.00 1.51 H new ATOM 0 HA VAL A 14 -0.413 -19.775 -6.349 1.00 1.62 H new ATOM 0 HB VAL A 14 -1.079 -22.462 -5.031 1.00 1.84 H new ATOM 0 HG11 VAL A 14 -3.411 -21.619 -4.893 1.00 2.00 H new ATOM 0 HG12 VAL A 14 -2.304 -20.612 -3.929 1.00 2.00 H new ATOM 0 HG13 VAL A 14 -2.874 -20.040 -5.515 1.00 2.00 H new ATOM 0 HG21 VAL A 14 -2.615 -22.712 -6.977 1.00 2.09 H new ATOM 0 HG22 VAL A 14 -2.066 -21.140 -7.606 1.00 2.09 H new ATOM 0 HG23 VAL A 14 -0.930 -22.507 -7.513 1.00 2.09 H new ATOM 190 N VAL A 15 0.751 -20.784 -3.445 1.00 1.26 N ATOM 191 CA VAL A 15 1.104 -20.259 -2.088 1.00 1.14 C ATOM 192 C VAL A 15 2.220 -19.221 -2.211 1.00 0.97 C ATOM 193 O VAL A 15 2.195 -18.189 -1.570 1.00 0.99 O ATOM 194 CB VAL A 15 1.566 -21.480 -1.279 1.00 1.10 C ATOM 195 CG1 VAL A 15 2.240 -21.020 0.018 1.00 1.11 C ATOM 196 CG2 VAL A 15 0.355 -22.350 -0.932 1.00 1.35 C ATOM 0 H VAL A 15 1.039 -21.745 -3.626 1.00 1.26 H new ATOM 0 HA VAL A 15 0.263 -19.765 -1.601 1.00 1.14 H new ATOM 0 HB VAL A 15 2.276 -22.054 -1.874 1.00 1.10 H new ATOM 0 HG11 VAL A 15 2.565 -21.891 0.587 1.00 1.11 H new ATOM 0 HG12 VAL A 15 3.103 -20.399 -0.221 1.00 1.11 H new ATOM 0 HG13 VAL A 15 1.531 -20.443 0.611 1.00 1.11 H new ATOM 0 HG21 VAL A 15 0.682 -23.217 -0.358 1.00 1.35 H new ATOM 0 HG22 VAL A 15 -0.353 -21.769 -0.341 1.00 1.35 H new ATOM 0 HG23 VAL A 15 -0.128 -22.684 -1.850 1.00 1.35 H new ATOM 206 N THR A 16 3.188 -19.483 -3.043 1.00 0.88 N ATOM 207 CA THR A 16 4.305 -18.506 -3.227 1.00 0.82 C ATOM 208 C THR A 16 3.752 -17.170 -3.722 1.00 0.90 C ATOM 209 O THR A 16 4.100 -16.119 -3.217 1.00 0.86 O ATOM 210 CB THR A 16 5.238 -19.132 -4.272 1.00 0.93 C ATOM 211 OG1 THR A 16 5.823 -20.308 -3.732 1.00 0.90 O ATOM 212 CG2 THR A 16 6.347 -18.143 -4.636 1.00 1.06 C ATOM 0 H THR A 16 3.257 -20.331 -3.606 1.00 0.88 H new ATOM 0 HA THR A 16 4.834 -18.308 -2.295 1.00 0.82 H new ATOM 0 HB THR A 16 4.664 -19.378 -5.166 1.00 0.93 H new ATOM 0 HG1 THR A 16 5.334 -21.094 -4.053 1.00 0.90 H new ATOM 0 HG21 THR A 16 7.006 -18.593 -5.378 1.00 1.06 H new ATOM 0 HG22 THR A 16 5.905 -17.235 -5.046 1.00 1.06 H new ATOM 0 HG23 THR A 16 6.921 -17.895 -3.743 1.00 1.06 H new ATOM 220 N VAL A 17 2.890 -17.202 -4.704 1.00 1.08 N ATOM 221 CA VAL A 17 2.317 -15.933 -5.230 1.00 1.23 C ATOM 222 C VAL A 17 1.381 -15.277 -4.206 1.00 1.22 C ATOM 223 O VAL A 17 1.442 -14.083 -4.018 1.00 1.21 O ATOM 224 CB VAL A 17 1.575 -16.276 -6.527 1.00 1.49 C ATOM 225 CG1 VAL A 17 2.562 -16.829 -7.557 1.00 1.59 C ATOM 226 CG2 VAL A 17 0.476 -17.312 -6.278 1.00 1.60 C ATOM 0 H VAL A 17 2.560 -18.051 -5.162 1.00 1.08 H new ATOM 0 HA VAL A 17 3.108 -15.209 -5.425 1.00 1.23 H new ATOM 0 HB VAL A 17 1.114 -15.363 -6.903 1.00 1.49 H new ATOM 0 HG11 VAL A 17 2.030 -17.071 -8.477 1.00 1.59 H new ATOM 0 HG12 VAL A 17 3.327 -16.081 -7.766 1.00 1.59 H new ATOM 0 HG13 VAL A 17 3.033 -17.729 -7.163 1.00 1.59 H new ATOM 0 HG21 VAL A 17 -0.033 -17.535 -7.216 1.00 1.60 H new ATOM 0 HG22 VAL A 17 0.920 -18.224 -5.880 1.00 1.60 H new ATOM 0 HG23 VAL A 17 -0.243 -16.915 -5.561 1.00 1.60 H new ATOM 236 N ILE A 18 0.526 -16.013 -3.522 1.00 1.29 N ATOM 237 CA ILE A 18 -0.353 -15.331 -2.520 1.00 1.39 C ATOM 238 C ILE A 18 0.503 -14.764 -1.389 1.00 1.22 C ATOM 239 O ILE A 18 0.186 -13.733 -0.833 1.00 1.29 O ATOM 240 CB ILE A 18 -1.355 -16.378 -2.008 1.00 1.57 C ATOM 241 CG1 ILE A 18 -0.632 -17.532 -1.306 1.00 1.44 C ATOM 242 CG2 ILE A 18 -2.178 -16.931 -3.175 1.00 1.77 C ATOM 243 CD1 ILE A 18 -1.602 -18.236 -0.354 1.00 1.79 C ATOM 0 H ILE A 18 0.404 -17.022 -3.612 1.00 1.29 H new ATOM 0 HA ILE A 18 -0.894 -14.495 -2.962 1.00 1.39 H new ATOM 0 HB ILE A 18 -2.015 -15.890 -1.291 1.00 1.57 H new ATOM 0 HG12 ILE A 18 -0.251 -18.239 -2.043 1.00 1.44 H new ATOM 0 HG13 ILE A 18 0.228 -17.154 -0.753 1.00 1.44 H new ATOM 0 HG21 ILE A 18 -2.885 -17.672 -2.803 1.00 1.77 H new ATOM 0 HG22 ILE A 18 -2.723 -16.117 -3.653 1.00 1.77 H new ATOM 0 HG23 ILE A 18 -1.512 -17.398 -3.901 1.00 1.77 H new ATOM 0 HD11 ILE A 18 -1.089 -19.057 0.146 1.00 1.79 H new ATOM 0 HD12 ILE A 18 -1.961 -17.525 0.390 1.00 1.79 H new ATOM 0 HD13 ILE A 18 -2.448 -18.627 -0.920 1.00 1.79 H new ATOM 255 N VAL A 19 1.599 -15.403 -1.070 1.00 1.05 N ATOM 256 CA VAL A 19 2.487 -14.866 0.005 1.00 1.00 C ATOM 257 C VAL A 19 3.169 -13.586 -0.492 1.00 0.90 C ATOM 258 O VAL A 19 3.143 -12.571 0.178 1.00 0.97 O ATOM 259 CB VAL A 19 3.507 -15.977 0.304 1.00 0.95 C ATOM 260 CG1 VAL A 19 4.708 -15.404 1.067 1.00 1.07 C ATOM 261 CG2 VAL A 19 2.847 -17.056 1.165 1.00 1.14 C ATOM 0 H VAL A 19 1.917 -16.269 -1.505 1.00 1.05 H new ATOM 0 HA VAL A 19 1.939 -14.603 0.910 1.00 1.00 H new ATOM 0 HB VAL A 19 3.847 -16.403 -0.640 1.00 0.95 H new ATOM 0 HG11 VAL A 19 5.423 -16.201 1.272 1.00 1.07 H new ATOM 0 HG12 VAL A 19 5.188 -14.633 0.464 1.00 1.07 H new ATOM 0 HG13 VAL A 19 4.368 -14.970 2.007 1.00 1.07 H new ATOM 0 HG21 VAL A 19 3.569 -17.844 1.378 1.00 1.14 H new ATOM 0 HG22 VAL A 19 2.505 -16.615 2.101 1.00 1.14 H new ATOM 0 HG23 VAL A 19 1.996 -17.478 0.630 1.00 1.14 H new ATOM 271 N ILE A 20 3.750 -13.596 -1.668 1.00 0.82 N ATOM 272 CA ILE A 20 4.376 -12.341 -2.165 1.00 0.83 C ATOM 273 C ILE A 20 3.272 -11.319 -2.457 1.00 0.90 C ATOM 274 O ILE A 20 3.456 -10.131 -2.284 1.00 0.91 O ATOM 275 CB ILE A 20 5.182 -12.708 -3.424 1.00 0.91 C ATOM 276 CG1 ILE A 20 4.282 -13.320 -4.499 1.00 1.02 C ATOM 277 CG2 ILE A 20 6.279 -13.713 -3.062 1.00 0.96 C ATOM 278 CD1 ILE A 20 4.685 -12.774 -5.870 1.00 1.43 C ATOM 0 H ILE A 20 3.815 -14.402 -2.290 1.00 0.82 H new ATOM 0 HA ILE A 20 5.046 -11.891 -1.433 1.00 0.83 H new ATOM 0 HB ILE A 20 5.624 -11.793 -3.817 1.00 0.91 H new ATOM 0 HG12 ILE A 20 4.370 -14.406 -4.488 1.00 1.02 H new ATOM 0 HG13 ILE A 20 3.238 -13.083 -4.293 1.00 1.02 H new ATOM 0 HG21 ILE A 20 6.847 -13.970 -3.956 1.00 0.96 H new ATOM 0 HG22 ILE A 20 6.947 -13.272 -2.322 1.00 0.96 H new ATOM 0 HG23 ILE A 20 5.825 -14.614 -2.649 1.00 0.96 H new ATOM 0 HD11 ILE A 20 4.045 -13.209 -6.637 1.00 1.43 H new ATOM 0 HD12 ILE A 20 4.574 -11.690 -5.877 1.00 1.43 H new ATOM 0 HD13 ILE A 20 5.724 -13.034 -6.074 1.00 1.43 H new ATOM 290 N LEU A 21 2.108 -11.779 -2.855 1.00 1.03 N ATOM 291 CA LEU A 21 0.979 -10.836 -3.109 1.00 1.20 C ATOM 292 C LEU A 21 0.548 -10.196 -1.785 1.00 1.20 C ATOM 293 O LEU A 21 0.488 -8.983 -1.676 1.00 1.22 O ATOM 294 CB LEU A 21 -0.153 -11.682 -3.702 1.00 1.41 C ATOM 295 CG LEU A 21 -0.044 -11.697 -5.229 1.00 1.56 C ATOM 296 CD1 LEU A 21 -0.941 -12.797 -5.794 1.00 1.78 C ATOM 297 CD2 LEU A 21 -0.493 -10.344 -5.787 1.00 1.72 C ATOM 0 H LEU A 21 1.895 -12.764 -3.013 1.00 1.03 H new ATOM 0 HA LEU A 21 1.256 -10.031 -3.789 1.00 1.20 H new ATOM 0 HB2 LEU A 21 -0.100 -12.699 -3.315 1.00 1.41 H new ATOM 0 HB3 LEU A 21 -1.119 -11.276 -3.401 1.00 1.41 H new ATOM 0 HG LEU A 21 0.991 -11.886 -5.515 1.00 1.56 H new ATOM 0 HD11 LEU A 21 -0.863 -12.807 -6.881 1.00 1.78 H new ATOM 0 HD12 LEU A 21 -0.626 -13.763 -5.398 1.00 1.78 H new ATOM 0 HD13 LEU A 21 -1.975 -12.607 -5.506 1.00 1.78 H new ATOM 0 HD21 LEU A 21 -0.415 -10.355 -6.874 1.00 1.72 H new ATOM 0 HD22 LEU A 21 -1.527 -10.157 -5.499 1.00 1.72 H new ATOM 0 HD23 LEU A 21 0.144 -9.556 -5.386 1.00 1.72 H new ATOM 309 N ILE A 22 0.268 -10.986 -0.761 1.00 1.25 N ATOM 310 CA ILE A 22 -0.129 -10.366 0.542 1.00 1.37 C ATOM 311 C ILE A 22 0.999 -9.462 1.035 1.00 1.24 C ATOM 312 O ILE A 22 0.771 -8.358 1.491 1.00 1.31 O ATOM 313 CB ILE A 22 -0.394 -11.512 1.529 1.00 1.51 C ATOM 314 CG1 ILE A 22 0.841 -12.408 1.698 1.00 1.37 C ATOM 315 CG2 ILE A 22 -1.571 -12.354 1.037 1.00 1.69 C ATOM 316 CD1 ILE A 22 0.539 -13.515 2.715 1.00 1.62 C ATOM 0 H ILE A 22 0.298 -12.005 -0.776 1.00 1.25 H new ATOM 0 HA ILE A 22 -1.025 -9.753 0.440 1.00 1.37 H new ATOM 0 HB ILE A 22 -0.629 -11.072 2.498 1.00 1.51 H new ATOM 0 HG12 ILE A 22 1.118 -12.847 0.739 1.00 1.37 H new ATOM 0 HG13 ILE A 22 1.691 -11.814 2.034 1.00 1.37 H new ATOM 0 HG21 ILE A 22 -1.756 -13.166 1.740 1.00 1.69 H new ATOM 0 HG22 ILE A 22 -2.460 -11.728 0.963 1.00 1.69 H new ATOM 0 HG23 ILE A 22 -1.337 -12.769 0.057 1.00 1.69 H new ATOM 0 HD11 ILE A 22 1.417 -14.150 2.833 1.00 1.62 H new ATOM 0 HD12 ILE A 22 0.283 -13.067 3.675 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -0.298 -14.116 2.360 1.00 1.62 H new ATOM 328 N ALA A 23 2.213 -9.918 0.914 1.00 1.10 N ATOM 329 CA ALA A 23 3.378 -9.085 1.344 1.00 1.06 C ATOM 330 C ALA A 23 3.416 -7.785 0.525 1.00 0.97 C ATOM 331 O ALA A 23 3.556 -6.708 1.073 1.00 1.01 O ATOM 332 CB ALA A 23 4.617 -9.944 1.070 1.00 1.02 C ATOM 0 H ALA A 23 2.453 -10.834 0.535 1.00 1.10 H new ATOM 0 HA ALA A 23 3.321 -8.799 2.394 1.00 1.06 H new ATOM 0 HB1 ALA A 23 5.512 -9.395 1.362 1.00 1.02 H new ATOM 0 HB2 ALA A 23 4.554 -10.868 1.645 1.00 1.02 H new ATOM 0 HB3 ALA A 23 4.668 -10.181 0.007 1.00 1.02 H new ATOM 338 N ILE A 24 3.266 -7.873 -0.779 1.00 0.91 N ATOM 339 CA ILE A 24 3.268 -6.631 -1.617 1.00 0.93 C ATOM 340 C ILE A 24 2.111 -5.727 -1.171 1.00 1.00 C ATOM 341 O ILE A 24 2.281 -4.537 -0.977 1.00 1.00 O ATOM 342 CB ILE A 24 3.073 -7.114 -3.064 1.00 1.03 C ATOM 343 CG1 ILE A 24 4.420 -7.576 -3.637 1.00 1.07 C ATOM 344 CG2 ILE A 24 2.521 -5.977 -3.931 1.00 1.18 C ATOM 345 CD1 ILE A 24 5.408 -6.403 -3.671 1.00 1.17 C ATOM 0 H ILE A 24 3.143 -8.745 -1.294 1.00 0.91 H new ATOM 0 HA ILE A 24 4.188 -6.054 -1.522 1.00 0.93 H new ATOM 0 HB ILE A 24 2.365 -7.943 -3.066 1.00 1.03 H new ATOM 0 HG12 ILE A 24 4.825 -8.385 -3.029 1.00 1.07 H new ATOM 0 HG13 ILE A 24 4.280 -7.973 -4.642 1.00 1.07 H new ATOM 0 HG21 ILE A 24 2.387 -6.331 -4.953 1.00 1.18 H new ATOM 0 HG22 ILE A 24 1.561 -5.648 -3.532 1.00 1.18 H new ATOM 0 HG23 ILE A 24 3.221 -5.142 -3.925 1.00 1.18 H new ATOM 0 HD11 ILE A 24 6.360 -6.741 -4.079 1.00 1.17 H new ATOM 0 HD12 ILE A 24 5.007 -5.607 -4.298 1.00 1.17 H new ATOM 0 HD13 ILE A 24 5.560 -6.026 -2.660 1.00 1.17 H new ATOM 357 N ALA A 25 0.942 -6.294 -0.982 1.00 1.12 N ATOM 358 CA ALA A 25 -0.221 -5.479 -0.520 1.00 1.28 C ATOM 359 C ALA A 25 0.087 -4.873 0.852 1.00 1.27 C ATOM 360 O ALA A 25 -0.153 -3.702 1.093 1.00 1.30 O ATOM 361 CB ALA A 25 -1.393 -6.463 -0.439 1.00 1.49 C ATOM 0 H ALA A 25 0.746 -7.284 -1.128 1.00 1.12 H new ATOM 0 HA ALA A 25 -0.446 -4.649 -1.190 1.00 1.28 H new ATOM 0 HB1 ALA A 25 -2.287 -5.937 -0.105 1.00 1.49 H new ATOM 0 HB2 ALA A 25 -1.573 -6.896 -1.423 1.00 1.49 H new ATOM 0 HB3 ALA A 25 -1.153 -7.257 0.269 1.00 1.49 H new ATOM 367 N ALA A 26 0.645 -5.654 1.738 1.00 1.29 N ATOM 368 CA ALA A 26 1.003 -5.125 3.087 1.00 1.39 C ATOM 369 C ALA A 26 2.054 -4.018 2.930 1.00 1.26 C ATOM 370 O ALA A 26 1.946 -2.965 3.527 1.00 1.33 O ATOM 371 CB ALA A 26 1.571 -6.322 3.855 1.00 1.49 C ATOM 0 H ALA A 26 0.869 -6.637 1.586 1.00 1.29 H new ATOM 0 HA ALA A 26 0.152 -4.693 3.613 1.00 1.39 H new ATOM 0 HB1 ALA A 26 1.857 -6.008 4.859 1.00 1.49 H new ATOM 0 HB2 ALA A 26 0.815 -7.104 3.921 1.00 1.49 H new ATOM 0 HB3 ALA A 26 2.447 -6.707 3.332 1.00 1.49 H new ATOM 377 N LEU A 27 3.047 -4.239 2.102 1.00 1.12 N ATOM 378 CA LEU A 27 4.081 -3.188 1.873 1.00 1.07 C ATOM 379 C LEU A 27 3.403 -1.950 1.268 1.00 1.00 C ATOM 380 O LEU A 27 3.645 -0.832 1.689 1.00 1.05 O ATOM 381 CB LEU A 27 5.077 -3.815 0.888 1.00 1.02 C ATOM 382 CG LEU A 27 5.972 -2.728 0.287 1.00 1.08 C ATOM 383 CD1 LEU A 27 7.427 -3.190 0.311 1.00 1.29 C ATOM 384 CD2 LEU A 27 5.550 -2.460 -1.159 1.00 1.09 C ATOM 0 H LEU A 27 3.184 -5.102 1.576 1.00 1.12 H new ATOM 0 HA LEU A 27 4.584 -2.870 2.787 1.00 1.07 H new ATOM 0 HB2 LEU A 27 5.688 -4.559 1.399 1.00 1.02 H new ATOM 0 HB3 LEU A 27 4.539 -4.335 0.095 1.00 1.02 H new ATOM 0 HG LEU A 27 5.871 -1.814 0.873 1.00 1.08 H new ATOM 0 HD11 LEU A 27 8.062 -2.415 -0.117 1.00 1.29 H new ATOM 0 HD12 LEU A 27 7.731 -3.381 1.340 1.00 1.29 H new ATOM 0 HD13 LEU A 27 7.528 -4.105 -0.273 1.00 1.29 H new ATOM 0 HD21 LEU A 27 6.187 -1.686 -1.587 1.00 1.09 H new ATOM 0 HD22 LEU A 27 5.649 -3.375 -1.743 1.00 1.09 H new ATOM 0 HD23 LEU A 27 4.512 -2.128 -1.179 1.00 1.09 H new ATOM 396 N GLY A 28 2.535 -2.151 0.301 1.00 0.96 N ATOM 397 CA GLY A 28 1.813 -0.998 -0.316 1.00 0.99 C ATOM 398 C GLY A 28 1.014 -0.279 0.772 1.00 1.07 C ATOM 399 O GLY A 28 1.050 0.932 0.879 1.00 1.06 O ATOM 0 H GLY A 28 2.298 -3.065 -0.085 1.00 0.96 H new ATOM 0 HA2 GLY A 28 2.523 -0.312 -0.779 1.00 0.99 H new ATOM 0 HA3 GLY A 28 1.147 -1.348 -1.105 1.00 0.99 H new ATOM 403 N ALA A 29 0.310 -1.021 1.598 1.00 1.21 N ATOM 404 CA ALA A 29 -0.474 -0.381 2.699 1.00 1.37 C ATOM 405 C ALA A 29 0.477 0.313 3.678 1.00 1.34 C ATOM 406 O ALA A 29 0.247 1.436 4.092 1.00 1.38 O ATOM 407 CB ALA A 29 -1.224 -1.530 3.380 1.00 1.57 C ATOM 0 H ALA A 29 0.246 -2.038 1.555 1.00 1.21 H new ATOM 0 HA ALA A 29 -1.163 0.381 2.334 1.00 1.37 H new ATOM 0 HB1 ALA A 29 -1.823 -1.137 4.201 1.00 1.57 H new ATOM 0 HB2 ALA A 29 -1.876 -2.018 2.656 1.00 1.57 H new ATOM 0 HB3 ALA A 29 -0.507 -2.253 3.768 1.00 1.57 H new ATOM 413 N LEU A 30 1.557 -0.339 4.024 1.00 1.32 N ATOM 414 CA LEU A 30 2.551 0.285 4.951 1.00 1.39 C ATOM 415 C LEU A 30 3.050 1.600 4.339 1.00 1.23 C ATOM 416 O LEU A 30 3.176 2.602 5.017 1.00 1.29 O ATOM 417 CB LEU A 30 3.691 -0.737 5.074 1.00 1.46 C ATOM 418 CG LEU A 30 3.398 -1.704 6.227 1.00 1.72 C ATOM 419 CD1 LEU A 30 4.176 -3.004 6.017 1.00 1.78 C ATOM 420 CD2 LEU A 30 3.830 -1.066 7.548 1.00 1.99 C ATOM 0 H LEU A 30 1.795 -1.278 3.705 1.00 1.32 H new ATOM 0 HA LEU A 30 2.131 0.520 5.929 1.00 1.39 H new ATOM 0 HB2 LEU A 30 3.798 -1.290 4.141 1.00 1.46 H new ATOM 0 HB3 LEU A 30 4.636 -0.223 5.250 1.00 1.46 H new ATOM 0 HG LEU A 30 2.330 -1.919 6.255 1.00 1.72 H new ATOM 0 HD11 LEU A 30 3.966 -3.690 6.838 1.00 1.78 H new ATOM 0 HD12 LEU A 30 3.873 -3.461 5.075 1.00 1.78 H new ATOM 0 HD13 LEU A 30 5.244 -2.788 5.988 1.00 1.78 H new ATOM 0 HD21 LEU A 30 3.622 -1.753 8.369 1.00 1.99 H new ATOM 0 HD22 LEU A 30 4.898 -0.851 7.516 1.00 1.99 H new ATOM 0 HD23 LEU A 30 3.278 -0.139 7.702 1.00 1.99 H new ATOM 432 N ILE A 31 3.303 1.608 3.050 1.00 1.06 N ATOM 433 CA ILE A 31 3.763 2.864 2.377 1.00 0.96 C ATOM 434 C ILE A 31 2.603 3.871 2.327 1.00 0.93 C ATOM 435 O ILE A 31 2.760 5.025 2.682 1.00 0.96 O ATOM 436 CB ILE A 31 4.183 2.437 0.961 1.00 0.90 C ATOM 437 CG1 ILE A 31 5.512 1.677 1.028 1.00 1.00 C ATOM 438 CG2 ILE A 31 4.360 3.673 0.070 1.00 0.97 C ATOM 439 CD1 ILE A 31 5.757 0.960 -0.302 1.00 1.05 C ATOM 0 H ILE A 31 3.210 0.799 2.436 1.00 1.06 H new ATOM 0 HA ILE A 31 4.587 3.346 2.903 1.00 0.96 H new ATOM 0 HB ILE A 31 3.408 1.795 0.542 1.00 0.90 H new ATOM 0 HG12 ILE A 31 6.328 2.368 1.237 1.00 1.00 H new ATOM 0 HG13 ILE A 31 5.490 0.955 1.844 1.00 1.00 H new ATOM 0 HG21 ILE A 31 4.658 3.360 -0.931 1.00 0.97 H new ATOM 0 HG22 ILE A 31 3.419 4.219 0.015 1.00 0.97 H new ATOM 0 HG23 ILE A 31 5.130 4.319 0.492 1.00 0.97 H new ATOM 0 HD11 ILE A 31 6.702 0.419 -0.255 1.00 1.05 H new ATOM 0 HD12 ILE A 31 4.946 0.257 -0.491 1.00 1.05 H new ATOM 0 HD13 ILE A 31 5.798 1.693 -1.108 1.00 1.05 H new ATOM 451 N LEU A 32 1.438 3.438 1.899 1.00 0.96 N ATOM 452 CA LEU A 32 0.263 4.366 1.834 1.00 1.04 C ATOM 453 C LEU A 32 -0.012 4.973 3.217 1.00 1.14 C ATOM 454 O LEU A 32 -0.155 6.172 3.354 1.00 1.14 O ATOM 455 CB LEU A 32 -0.917 3.499 1.374 1.00 1.18 C ATOM 456 CG LEU A 32 -1.661 4.203 0.234 1.00 1.56 C ATOM 457 CD1 LEU A 32 -2.045 3.182 -0.838 1.00 1.75 C ATOM 458 CD2 LEU A 32 -2.930 4.860 0.780 1.00 2.12 C ATOM 0 H LEU A 32 1.251 2.483 1.593 1.00 0.96 H new ATOM 0 HA LEU A 32 0.436 5.199 1.153 1.00 1.04 H new ATOM 0 HB2 LEU A 32 -0.557 2.526 1.040 1.00 1.18 H new ATOM 0 HB3 LEU A 32 -1.596 3.319 2.208 1.00 1.18 H new ATOM 0 HG LEU A 32 -1.012 4.963 -0.202 1.00 1.56 H new ATOM 0 HD11 LEU A 32 -2.574 3.686 -1.647 1.00 1.75 H new ATOM 0 HD12 LEU A 32 -1.144 2.711 -1.231 1.00 1.75 H new ATOM 0 HD13 LEU A 32 -2.691 2.421 -0.401 1.00 1.75 H new ATOM 0 HD21 LEU A 32 -3.459 5.360 -0.031 1.00 2.12 H new ATOM 0 HD22 LEU A 32 -3.575 4.098 1.218 1.00 2.12 H new ATOM 0 HD23 LEU A 32 -2.662 5.590 1.543 1.00 2.12 H new ATOM 470 N GLY A 33 -0.069 4.156 4.244 1.00 1.29 N ATOM 471 CA GLY A 33 -0.318 4.687 5.623 1.00 1.47 C ATOM 472 C GLY A 33 0.821 5.632 6.023 1.00 1.40 C ATOM 473 O GLY A 33 0.590 6.718 6.515 1.00 1.45 O ATOM 0 H GLY A 33 0.046 3.144 4.186 1.00 1.29 H new ATOM 0 HA2 GLY A 33 -1.271 5.216 5.654 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -0.388 3.864 6.334 1.00 1.47 H new ATOM 477 N CYS A 34 2.052 5.228 5.807 1.00 1.34 N ATOM 478 CA CYS A 34 3.207 6.112 6.168 1.00 1.36 C ATOM 479 C CYS A 34 3.185 7.404 5.326 1.00 1.20 C ATOM 480 O CYS A 34 3.604 8.454 5.777 1.00 1.29 O ATOM 481 CB CYS A 34 4.457 5.282 5.864 1.00 1.41 C ATOM 482 SG CYS A 34 5.189 4.707 7.417 1.00 2.06 S ATOM 0 H CYS A 34 2.306 4.329 5.398 1.00 1.34 H new ATOM 0 HA CYS A 34 3.174 6.424 7.212 1.00 1.36 H new ATOM 0 HB2 CYS A 34 4.198 4.431 5.234 1.00 1.41 H new ATOM 0 HB3 CYS A 34 5.179 5.881 5.309 1.00 1.41 H new ATOM 0 HG CYS A 34 6.249 4.000 7.161 1.00 2.06 H new ATOM 488 N TRP A 35 2.698 7.335 4.109 1.00 1.02 N ATOM 489 CA TRP A 35 2.639 8.561 3.248 1.00 0.91 C ATOM 490 C TRP A 35 1.399 9.399 3.607 1.00 0.93 C ATOM 491 O TRP A 35 1.514 10.545 4.001 1.00 0.94 O ATOM 492 CB TRP A 35 2.531 8.042 1.808 1.00 0.83 C ATOM 493 CG TRP A 35 3.894 7.753 1.256 1.00 0.83 C ATOM 494 CD1 TRP A 35 4.901 7.153 1.933 1.00 1.00 C ATOM 495 CD2 TRP A 35 4.408 8.034 -0.078 1.00 0.84 C ATOM 496 NE1 TRP A 35 6.001 7.051 1.100 1.00 1.09 N ATOM 497 CE2 TRP A 35 5.745 7.580 -0.149 1.00 1.00 C ATOM 498 CE3 TRP A 35 3.849 8.636 -1.221 1.00 0.91 C ATOM 499 CZ2 TRP A 35 6.500 7.714 -1.314 1.00 1.15 C ATOM 500 CZ3 TRP A 35 4.608 8.772 -2.394 1.00 1.10 C ATOM 501 CH2 TRP A 35 5.931 8.315 -2.440 1.00 1.19 C ATOM 0 H TRP A 35 2.339 6.484 3.675 1.00 1.02 H new ATOM 0 HA TRP A 35 3.512 9.199 3.385 1.00 0.91 H new ATOM 0 HB2 TRP A 35 1.923 7.138 1.785 1.00 0.83 H new ATOM 0 HB3 TRP A 35 2.028 8.781 1.185 1.00 0.83 H new ATOM 0 HD1 TRP A 35 4.854 6.810 2.956 1.00 1.00 H new ATOM 0 HE1 TRP A 35 6.891 6.636 1.375 1.00 1.09 H new ATOM 0 HE3 TRP A 35 2.831 8.995 -1.195 1.00 0.91 H new ATOM 0 HZ2 TRP A 35 7.518 7.355 -1.346 1.00 1.15 H new ATOM 0 HZ3 TRP A 35 4.169 9.232 -3.267 1.00 1.10 H new ATOM 0 HH2 TRP A 35 6.511 8.427 -3.344 1.00 1.19 H new ATOM 512 N CYS A 36 0.225 8.814 3.470 1.00 1.00 N ATOM 513 CA CYS A 36 -1.072 9.513 3.788 1.00 1.10 C ATOM 514 C CYS A 36 -1.040 11.009 3.400 1.00 0.99 C ATOM 515 O CYS A 36 -1.293 11.354 2.262 1.00 1.02 O ATOM 516 CB CYS A 36 -1.280 9.295 5.296 1.00 1.26 C ATOM 517 SG CYS A 36 -2.939 8.630 5.580 1.00 1.49 S ATOM 0 H CYS A 36 0.109 7.855 3.142 1.00 1.00 H new ATOM 0 HA CYS A 36 -1.903 9.109 3.210 1.00 1.10 H new ATOM 0 HB2 CYS A 36 -0.529 8.607 5.683 1.00 1.26 H new ATOM 0 HB3 CYS A 36 -1.156 10.236 5.832 1.00 1.26 H new ATOM 0 HG CYS A 36 -3.119 8.442 6.854 1.00 1.49 H new ATOM 523 N TYR A 37 -0.732 11.898 4.314 1.00 0.97 N ATOM 524 CA TYR A 37 -0.691 13.351 3.961 1.00 0.94 C ATOM 525 C TYR A 37 0.725 13.927 4.147 1.00 0.88 C ATOM 526 O TYR A 37 0.962 15.086 3.873 1.00 0.99 O ATOM 527 CB TYR A 37 -1.678 14.024 4.922 1.00 1.07 C ATOM 528 CG TYR A 37 -2.692 14.827 4.139 1.00 1.39 C ATOM 529 CD1 TYR A 37 -2.411 16.151 3.784 1.00 1.87 C ATOM 530 CD2 TYR A 37 -3.914 14.248 3.777 1.00 1.89 C ATOM 531 CE1 TYR A 37 -3.354 16.898 3.067 1.00 2.48 C ATOM 532 CE2 TYR A 37 -4.856 14.997 3.059 1.00 2.47 C ATOM 533 CZ TYR A 37 -4.574 16.320 2.706 1.00 2.67 C ATOM 534 OH TYR A 37 -5.499 17.056 2.000 1.00 3.39 O ATOM 0 H TYR A 37 -0.508 11.681 5.285 1.00 0.97 H new ATOM 0 HA TYR A 37 -0.955 13.519 2.917 1.00 0.94 H new ATOM 0 HB2 TYR A 37 -2.185 13.270 5.524 1.00 1.07 H new ATOM 0 HB3 TYR A 37 -1.141 14.674 5.612 1.00 1.07 H new ATOM 0 HD1 TYR A 37 -1.468 16.597 4.063 1.00 1.87 H new ATOM 0 HD2 TYR A 37 -4.130 13.226 4.051 1.00 1.89 H new ATOM 0 HE1 TYR A 37 -3.138 17.920 2.793 1.00 2.48 H new ATOM 0 HE2 TYR A 37 -5.799 14.552 2.778 1.00 2.47 H new ATOM 0 HH TYR A 37 -6.292 16.506 1.828 1.00 3.39 H new ATOM 544 N LEU A 38 1.669 13.133 4.599 1.00 0.93 N ATOM 545 CA LEU A 38 3.061 13.654 4.785 1.00 0.98 C ATOM 546 C LEU A 38 4.032 13.013 3.781 1.00 0.91 C ATOM 547 O LEU A 38 5.155 13.457 3.640 1.00 0.92 O ATOM 548 CB LEU A 38 3.457 13.289 6.227 1.00 1.09 C ATOM 549 CG LEU A 38 3.451 11.767 6.419 1.00 1.13 C ATOM 550 CD1 LEU A 38 4.717 11.334 7.164 1.00 1.33 C ATOM 551 CD2 LEU A 38 2.225 11.364 7.237 1.00 1.27 C ATOM 0 H LEU A 38 1.536 12.152 4.846 1.00 0.93 H new ATOM 0 HA LEU A 38 3.104 14.730 4.614 1.00 0.98 H new ATOM 0 HB2 LEU A 38 4.448 13.685 6.449 1.00 1.09 H new ATOM 0 HB3 LEU A 38 2.764 13.752 6.929 1.00 1.09 H new ATOM 0 HG LEU A 38 3.420 11.282 5.443 1.00 1.13 H new ATOM 0 HD11 LEU A 38 4.708 10.252 7.298 1.00 1.33 H new ATOM 0 HD12 LEU A 38 5.595 11.621 6.586 1.00 1.33 H new ATOM 0 HD13 LEU A 38 4.750 11.820 8.139 1.00 1.33 H new ATOM 0 HD21 LEU A 38 2.219 10.283 7.375 1.00 1.27 H new ATOM 0 HD22 LEU A 38 2.260 11.853 8.210 1.00 1.27 H new ATOM 0 HD23 LEU A 38 1.320 11.668 6.710 1.00 1.27 H new ATOM 563 N ARG A 39 3.621 11.973 3.089 1.00 0.89 N ATOM 564 CA ARG A 39 4.535 11.307 2.107 1.00 0.87 C ATOM 565 C ARG A 39 5.897 11.017 2.768 1.00 0.88 C ATOM 566 O ARG A 39 6.945 11.266 2.195 1.00 0.90 O ATOM 567 CB ARG A 39 4.677 12.310 0.956 1.00 0.88 C ATOM 568 CG ARG A 39 5.054 11.566 -0.329 1.00 0.89 C ATOM 569 CD ARG A 39 6.271 12.235 -0.977 1.00 0.95 C ATOM 570 NE ARG A 39 7.426 11.854 -0.107 1.00 0.93 N ATOM 571 CZ ARG A 39 8.567 11.556 -0.638 1.00 1.01 C ATOM 572 NH1 ARG A 39 8.717 10.415 -1.224 1.00 1.11 N ATOM 573 NH2 ARG A 39 9.550 12.396 -0.574 1.00 1.19 N ATOM 0 H ARG A 39 2.692 11.558 3.163 1.00 0.89 H new ATOM 0 HA ARG A 39 4.150 10.349 1.756 1.00 0.87 H new ATOM 0 HB2 ARG A 39 3.741 12.851 0.814 1.00 0.88 H new ATOM 0 HB3 ARG A 39 5.440 13.050 1.197 1.00 0.88 H new ATOM 0 HG2 ARG A 39 5.277 10.523 -0.104 1.00 0.89 H new ATOM 0 HG3 ARG A 39 4.213 11.570 -1.022 1.00 0.89 H new ATOM 0 HD2 ARG A 39 6.415 11.888 -2.000 1.00 0.95 H new ATOM 0 HD3 ARG A 39 6.150 13.317 -1.022 1.00 0.95 H new ATOM 0 HE ARG A 39 7.314 11.829 0.907 1.00 0.93 H new ATOM 0 HH11 ARG A 39 7.939 9.757 -1.265 1.00 1.11 H new ATOM 0 HH12 ARG A 39 9.614 10.172 -1.645 1.00 1.11 H new ATOM 0 HH21 ARG A 39 9.425 13.293 -0.105 1.00 1.19 H new ATOM 0 HH22 ARG A 39 10.450 12.161 -0.993 1.00 1.19 H new ATOM 587 N LEU A 40 5.874 10.502 3.980 1.00 0.93 N ATOM 588 CA LEU A 40 7.146 10.190 4.716 1.00 0.99 C ATOM 589 C LEU A 40 8.162 11.342 4.591 1.00 0.92 C ATOM 590 O LEU A 40 9.351 11.120 4.448 1.00 0.99 O ATOM 591 CB LEU A 40 7.681 8.916 4.054 1.00 1.13 C ATOM 592 CG LEU A 40 8.111 7.914 5.129 1.00 1.47 C ATOM 593 CD1 LEU A 40 7.376 6.595 4.915 1.00 1.75 C ATOM 594 CD2 LEU A 40 9.616 7.669 5.026 1.00 1.70 C ATOM 0 H LEU A 40 5.021 10.283 4.494 1.00 0.93 H new ATOM 0 HA LEU A 40 6.974 10.058 5.784 1.00 0.99 H new ATOM 0 HB2 LEU A 40 6.913 8.475 3.419 1.00 1.13 H new ATOM 0 HB3 LEU A 40 8.527 9.157 3.410 1.00 1.13 H new ATOM 0 HG LEU A 40 7.871 8.315 6.114 1.00 1.47 H new ATOM 0 HD11 LEU A 40 7.681 5.880 5.679 1.00 1.75 H new ATOM 0 HD12 LEU A 40 6.301 6.762 4.983 1.00 1.75 H new ATOM 0 HD13 LEU A 40 7.620 6.198 3.930 1.00 1.75 H new ATOM 0 HD21 LEU A 40 9.922 6.956 5.791 1.00 1.70 H new ATOM 0 HD22 LEU A 40 9.853 7.268 4.041 1.00 1.70 H new ATOM 0 HD23 LEU A 40 10.148 8.609 5.172 1.00 1.70 H new ATOM 606 N GLN A 41 7.708 12.571 4.649 1.00 0.84 N ATOM 607 CA GLN A 41 8.652 13.733 4.525 1.00 0.84 C ATOM 608 C GLN A 41 9.356 14.040 5.865 1.00 0.87 C ATOM 609 O GLN A 41 9.601 15.188 6.196 1.00 0.87 O ATOM 610 CB GLN A 41 7.773 14.910 4.080 1.00 0.80 C ATOM 611 CG GLN A 41 6.843 15.339 5.223 1.00 0.79 C ATOM 612 CD GLN A 41 6.446 16.800 5.036 1.00 0.91 C ATOM 613 OE1 GLN A 41 7.278 17.685 5.120 1.00 0.92 O ATOM 614 NE2 GLN A 41 5.208 17.094 4.786 1.00 1.33 N ATOM 0 H GLN A 41 6.728 12.822 4.776 1.00 0.84 H new ATOM 0 HA GLN A 41 9.453 13.527 3.815 1.00 0.84 H new ATOM 0 HB2 GLN A 41 8.401 15.748 3.778 1.00 0.80 H new ATOM 0 HB3 GLN A 41 7.183 14.624 3.209 1.00 0.80 H new ATOM 0 HG2 GLN A 41 5.954 14.709 5.238 1.00 0.79 H new ATOM 0 HG3 GLN A 41 7.344 15.207 6.182 1.00 0.79 H new ATOM 0 HE21 GLN A 41 4.512 16.352 4.716 1.00 1.33 H new ATOM 0 HE22 GLN A 41 4.930 18.067 4.660 1.00 1.33 H new ATOM 623 N ARG A 42 9.705 13.037 6.627 1.00 0.97 N ATOM 624 CA ARG A 42 10.411 13.292 7.922 1.00 1.06 C ATOM 625 C ARG A 42 11.924 13.265 7.683 1.00 1.14 C ATOM 626 O ARG A 42 12.605 14.258 7.845 1.00 1.18 O ATOM 627 CB ARG A 42 9.960 12.162 8.862 1.00 1.14 C ATOM 628 CG ARG A 42 10.978 11.990 9.996 1.00 1.27 C ATOM 629 CD ARG A 42 10.292 12.195 11.352 1.00 1.28 C ATOM 630 NE ARG A 42 10.591 10.948 12.120 1.00 1.65 N ATOM 631 CZ ARG A 42 9.656 10.342 12.786 1.00 2.08 C ATOM 632 NH1 ARG A 42 8.935 9.436 12.208 1.00 2.73 N ATOM 633 NH2 ARG A 42 9.452 10.642 14.029 1.00 2.54 N ATOM 0 H ARG A 42 9.533 12.055 6.412 1.00 0.97 H new ATOM 0 HA ARG A 42 10.176 14.265 8.354 1.00 1.06 H new ATOM 0 HB2 ARG A 42 8.978 12.391 9.275 1.00 1.14 H new ATOM 0 HB3 ARG A 42 9.862 11.230 8.305 1.00 1.14 H new ATOM 0 HG2 ARG A 42 11.421 10.995 9.950 1.00 1.27 H new ATOM 0 HG3 ARG A 42 11.791 12.707 9.878 1.00 1.27 H new ATOM 0 HD2 ARG A 42 10.679 13.077 11.862 1.00 1.28 H new ATOM 0 HD3 ARG A 42 9.218 12.340 11.235 1.00 1.28 H new ATOM 0 HE ARG A 42 11.538 10.570 12.121 1.00 1.65 H new ATOM 0 HH11 ARG A 42 9.102 9.199 11.230 1.00 2.73 H new ATOM 0 HH12 ARG A 42 8.200 8.959 12.730 1.00 2.73 H new ATOM 0 HH21 ARG A 42 10.025 11.353 14.483 1.00 2.54 H new ATOM 0 HH22 ARG A 42 8.718 10.167 14.554 1.00 2.54 H new ATOM 647 N ILE A 43 12.440 12.137 7.281 1.00 1.24 N ATOM 648 CA ILE A 43 13.906 12.016 6.998 1.00 1.35 C ATOM 649 C ILE A 43 14.319 13.005 5.904 1.00 1.24 C ATOM 650 O ILE A 43 15.405 13.551 5.917 1.00 1.31 O ATOM 651 CB ILE A 43 14.108 10.576 6.511 1.00 1.50 C ATOM 652 CG1 ILE A 43 13.083 10.202 5.430 1.00 1.46 C ATOM 653 CG2 ILE A 43 13.947 9.622 7.684 1.00 1.68 C ATOM 654 CD1 ILE A 43 13.601 9.007 4.629 1.00 1.68 C ATOM 0 H ILE A 43 11.905 11.281 7.133 1.00 1.24 H new ATOM 0 HA ILE A 43 14.509 12.238 7.878 1.00 1.35 H new ATOM 0 HB ILE A 43 15.109 10.501 6.085 1.00 1.50 H new ATOM 0 HG12 ILE A 43 12.126 9.958 5.890 1.00 1.46 H new ATOM 0 HG13 ILE A 43 12.911 11.050 4.768 1.00 1.46 H new ATOM 0 HG21 ILE A 43 14.090 8.597 7.342 1.00 1.68 H new ATOM 0 HG22 ILE A 43 14.688 9.856 8.448 1.00 1.68 H new ATOM 0 HG23 ILE A 43 12.947 9.728 8.105 1.00 1.68 H new ATOM 0 HD11 ILE A 43 12.874 8.741 3.862 1.00 1.68 H new ATOM 0 HD12 ILE A 43 14.548 9.268 4.157 1.00 1.68 H new ATOM 0 HD13 ILE A 43 13.751 8.159 5.297 1.00 1.68 H new ATOM 666 N SER A 44 13.441 13.218 4.961 1.00 1.12 N ATOM 667 CA SER A 44 13.714 14.163 3.823 1.00 1.06 C ATOM 668 C SER A 44 14.811 13.608 2.907 1.00 1.16 C ATOM 669 O SER A 44 15.879 14.177 2.776 1.00 1.25 O ATOM 670 CB SER A 44 14.164 15.469 4.471 1.00 1.08 C ATOM 671 OG SER A 44 13.863 16.549 3.596 1.00 1.05 O ATOM 0 H SER A 44 12.525 12.770 4.925 1.00 1.12 H new ATOM 0 HA SER A 44 12.831 14.306 3.201 1.00 1.06 H new ATOM 0 HB2 SER A 44 13.660 15.608 5.427 1.00 1.08 H new ATOM 0 HB3 SER A 44 15.234 15.438 4.676 1.00 1.08 H new ATOM 0 HG SER A 44 14.427 16.489 2.797 1.00 1.05 H new ATOM 677 N GLN A 45 14.545 12.502 2.269 1.00 1.26 N ATOM 678 CA GLN A 45 15.561 11.890 1.348 1.00 1.40 C ATOM 679 C GLN A 45 15.773 12.759 0.092 1.00 1.48 C ATOM 680 O GLN A 45 16.779 12.644 -0.576 1.00 1.60 O ATOM 681 CB GLN A 45 15.000 10.502 0.981 1.00 1.37 C ATOM 682 CG GLN A 45 13.772 10.630 0.061 1.00 1.37 C ATOM 683 CD GLN A 45 12.483 10.579 0.889 1.00 1.31 C ATOM 684 OE1 GLN A 45 12.312 11.342 1.819 1.00 1.42 O ATOM 685 NE2 GLN A 45 11.560 9.712 0.589 1.00 1.32 N ATOM 0 H GLN A 45 13.666 11.989 2.342 1.00 1.26 H new ATOM 0 HA GLN A 45 16.539 11.814 1.824 1.00 1.40 H new ATOM 0 HB2 GLN A 45 15.771 9.914 0.484 1.00 1.37 H new ATOM 0 HB3 GLN A 45 14.725 9.965 1.889 1.00 1.37 H new ATOM 0 HG2 GLN A 45 13.820 11.567 -0.493 1.00 1.37 H new ATOM 0 HG3 GLN A 45 13.773 9.825 -0.674 1.00 1.37 H new ATOM 0 HE21 GLN A 45 11.698 9.069 -0.191 1.00 1.32 H new ATOM 0 HE22 GLN A 45 10.698 9.675 1.134 1.00 1.32 H new ATOM 694 N SER A 46 14.835 13.629 -0.228 1.00 1.47 N ATOM 695 CA SER A 46 14.980 14.510 -1.438 1.00 1.62 C ATOM 696 C SER A 46 15.253 13.672 -2.698 1.00 1.64 C ATOM 697 O SER A 46 16.197 13.917 -3.426 1.00 1.75 O ATOM 698 CB SER A 46 16.167 15.427 -1.130 1.00 1.77 C ATOM 699 OG SER A 46 15.902 16.729 -1.643 1.00 2.12 O ATOM 0 H SER A 46 13.973 13.766 0.300 1.00 1.47 H new ATOM 0 HA SER A 46 14.070 15.076 -1.636 1.00 1.62 H new ATOM 0 HB2 SER A 46 16.335 15.475 -0.054 1.00 1.77 H new ATOM 0 HB3 SER A 46 17.077 15.026 -1.577 1.00 1.77 H new ATOM 0 HG SER A 46 16.660 17.319 -1.446 1.00 2.12 H new ATOM 705 N GLU A 47 14.431 12.688 -2.954 1.00 1.58 N ATOM 706 CA GLU A 47 14.631 11.825 -4.161 1.00 1.63 C ATOM 707 C GLU A 47 14.228 12.573 -5.448 1.00 1.81 C ATOM 708 O GLU A 47 13.640 13.637 -5.398 1.00 1.92 O ATOM 709 CB GLU A 47 13.729 10.602 -3.925 1.00 1.59 C ATOM 710 CG GLU A 47 12.250 11.013 -4.014 1.00 1.74 C ATOM 711 CD GLU A 47 11.592 10.912 -2.637 1.00 1.52 C ATOM 712 OE1 GLU A 47 11.743 11.838 -1.854 1.00 1.51 O ATOM 713 OE2 GLU A 47 10.921 9.921 -2.388 1.00 1.45 O ATOM 0 H GLU A 47 13.626 12.442 -2.378 1.00 1.58 H new ATOM 0 HA GLU A 47 15.675 11.542 -4.294 1.00 1.63 H new ATOM 0 HB2 GLU A 47 13.946 9.832 -4.665 1.00 1.59 H new ATOM 0 HB3 GLU A 47 13.937 10.170 -2.946 1.00 1.59 H new ATOM 0 HG2 GLU A 47 12.170 12.033 -4.390 1.00 1.74 H new ATOM 0 HG3 GLU A 47 11.728 10.370 -4.723 1.00 1.74 H new ATOM 720 N ASP A 48 14.542 12.023 -6.597 1.00 1.91 N ATOM 721 CA ASP A 48 14.176 12.703 -7.883 1.00 2.16 C ATOM 722 C ASP A 48 13.116 11.890 -8.652 1.00 2.20 C ATOM 723 O ASP A 48 12.178 12.444 -9.193 1.00 2.35 O ATOM 724 CB ASP A 48 15.487 12.792 -8.679 1.00 2.33 C ATOM 725 CG ASP A 48 16.063 14.207 -8.570 1.00 2.38 C ATOM 726 OD1 ASP A 48 15.345 15.147 -8.870 1.00 2.72 O ATOM 727 OD2 ASP A 48 17.216 14.326 -8.193 1.00 2.68 O ATOM 0 H ASP A 48 15.034 11.136 -6.701 1.00 1.91 H new ATOM 0 HA ASP A 48 13.739 13.687 -7.713 1.00 2.16 H new ATOM 0 HB2 ASP A 48 16.205 12.066 -8.297 1.00 2.33 H new ATOM 0 HB3 ASP A 48 15.306 12.542 -9.724 1.00 2.33 H new ATOM 732 N GLU A 49 13.257 10.585 -8.711 1.00 2.31 N ATOM 733 CA GLU A 49 12.258 9.752 -9.450 1.00 2.45 C ATOM 734 C GLU A 49 10.950 9.615 -8.654 1.00 2.26 C ATOM 735 O GLU A 49 10.909 9.831 -7.457 1.00 2.18 O ATOM 736 CB GLU A 49 12.917 8.378 -9.621 1.00 2.74 C ATOM 737 CG GLU A 49 12.443 7.748 -10.940 1.00 3.16 C ATOM 738 CD GLU A 49 11.549 6.531 -10.667 1.00 3.68 C ATOM 739 OE1 GLU A 49 10.734 6.594 -9.759 1.00 3.98 O ATOM 740 OE2 GLU A 49 11.689 5.557 -11.386 1.00 4.16 O ATOM 0 H GLU A 49 14.020 10.064 -8.279 1.00 2.31 H new ATOM 0 HA GLU A 49 11.996 10.207 -10.405 1.00 2.45 H new ATOM 0 HB2 GLU A 49 14.002 8.480 -9.623 1.00 2.74 H new ATOM 0 HB3 GLU A 49 12.659 7.731 -8.782 1.00 2.74 H new ATOM 0 HG2 GLU A 49 11.894 8.486 -11.525 1.00 3.16 H new ATOM 0 HG3 GLU A 49 13.305 7.447 -11.536 1.00 3.16 H new ATOM 747 N GLU A 50 9.888 9.239 -9.318 1.00 2.24 N ATOM 748 CA GLU A 50 8.576 9.060 -8.626 1.00 2.11 C ATOM 749 C GLU A 50 7.725 8.044 -9.403 1.00 2.21 C ATOM 750 O GLU A 50 7.812 7.947 -10.615 1.00 2.37 O ATOM 751 CB GLU A 50 7.924 10.446 -8.635 1.00 1.87 C ATOM 752 CG GLU A 50 7.209 10.695 -7.297 1.00 1.80 C ATOM 753 CD GLU A 50 5.898 9.907 -7.246 1.00 1.74 C ATOM 754 OE1 GLU A 50 5.016 10.210 -8.027 1.00 1.67 O ATOM 755 OE2 GLU A 50 5.794 9.012 -6.422 1.00 1.93 O ATOM 0 H GLU A 50 9.873 9.046 -10.320 1.00 2.24 H new ATOM 0 HA GLU A 50 8.682 8.681 -7.609 1.00 2.11 H new ATOM 0 HB2 GLU A 50 8.681 11.213 -8.801 1.00 1.87 H new ATOM 0 HB3 GLU A 50 7.212 10.517 -9.457 1.00 1.87 H new ATOM 0 HG2 GLU A 50 7.854 10.397 -6.470 1.00 1.80 H new ATOM 0 HG3 GLU A 50 7.007 11.759 -7.176 1.00 1.80 H new ATOM 762 N SER A 51 6.913 7.280 -8.721 1.00 2.19 N ATOM 763 CA SER A 51 6.067 6.264 -9.434 1.00 2.35 C ATOM 764 C SER A 51 4.897 5.795 -8.554 1.00 2.38 C ATOM 765 O SER A 51 4.330 4.743 -8.772 1.00 2.60 O ATOM 766 CB SER A 51 7.017 5.102 -9.735 1.00 2.67 C ATOM 767 OG SER A 51 7.561 5.270 -11.041 1.00 2.74 O ATOM 0 H SER A 51 6.796 7.311 -7.708 1.00 2.19 H new ATOM 0 HA SER A 51 5.618 6.676 -10.338 1.00 2.35 H new ATOM 0 HB2 SER A 51 7.817 5.070 -8.996 1.00 2.67 H new ATOM 0 HB3 SER A 51 6.484 4.154 -9.669 1.00 2.67 H new ATOM 0 HG SER A 51 7.767 6.216 -11.190 1.00 2.74 H new ATOM 773 N ILE A 52 4.528 6.575 -7.573 1.00 2.24 N ATOM 774 CA ILE A 52 3.395 6.203 -6.680 1.00 2.33 C ATOM 775 C ILE A 52 2.332 7.295 -6.763 1.00 2.14 C ATOM 776 O ILE A 52 1.150 7.031 -6.872 1.00 2.29 O ATOM 777 CB ILE A 52 4.010 6.147 -5.283 1.00 2.34 C ATOM 778 CG1 ILE A 52 5.096 5.076 -5.260 1.00 2.61 C ATOM 779 CG2 ILE A 52 2.934 5.798 -4.263 1.00 2.52 C ATOM 780 CD1 ILE A 52 6.226 5.507 -4.326 1.00 2.63 C ATOM 0 H ILE A 52 4.971 7.467 -7.351 1.00 2.24 H new ATOM 0 HA ILE A 52 2.920 5.258 -6.945 1.00 2.33 H new ATOM 0 HB ILE A 52 4.441 7.117 -5.034 1.00 2.34 H new ATOM 0 HG12 ILE A 52 4.677 4.127 -4.926 1.00 2.61 H new ATOM 0 HG13 ILE A 52 5.484 4.916 -6.266 1.00 2.61 H new ATOM 0 HG21 ILE A 52 3.376 5.759 -3.267 1.00 2.52 H new ATOM 0 HG22 ILE A 52 2.153 6.558 -4.284 1.00 2.52 H new ATOM 0 HG23 ILE A 52 2.502 4.827 -4.507 1.00 2.52 H new ATOM 0 HD11 ILE A 52 7.000 4.739 -4.312 1.00 2.63 H new ATOM 0 HD12 ILE A 52 6.652 6.446 -4.680 1.00 2.63 H new ATOM 0 HD13 ILE A 52 5.833 5.644 -3.319 1.00 2.63 H new ATOM 792 N VAL A 53 2.768 8.525 -6.732 1.00 1.87 N ATOM 793 CA VAL A 53 1.817 9.674 -6.833 1.00 1.74 C ATOM 794 C VAL A 53 1.567 9.999 -8.309 1.00 1.73 C ATOM 795 O VAL A 53 0.462 9.889 -8.804 1.00 1.92 O ATOM 796 CB VAL A 53 2.531 10.836 -6.136 1.00 1.51 C ATOM 797 CG1 VAL A 53 1.833 12.158 -6.469 1.00 1.52 C ATOM 798 CG2 VAL A 53 2.509 10.607 -4.628 1.00 1.59 C ATOM 0 H VAL A 53 3.749 8.787 -6.640 1.00 1.87 H new ATOM 0 HA VAL A 53 0.849 9.465 -6.378 1.00 1.74 H new ATOM 0 HB VAL A 53 3.563 10.886 -6.484 1.00 1.51 H new ATOM 0 HG11 VAL A 53 2.348 12.978 -5.969 1.00 1.52 H new ATOM 0 HG12 VAL A 53 1.855 12.320 -7.547 1.00 1.52 H new ATOM 0 HG13 VAL A 53 0.798 12.119 -6.129 1.00 1.52 H new ATOM 0 HG21 VAL A 53 3.016 11.432 -4.127 1.00 1.59 H new ATOM 0 HG22 VAL A 53 1.476 10.553 -4.283 1.00 1.59 H new ATOM 0 HG23 VAL A 53 3.019 9.672 -4.394 1.00 1.59 H new ATOM 808 N GLY A 54 2.595 10.404 -9.007 1.00 1.60 N ATOM 809 CA GLY A 54 2.448 10.744 -10.459 1.00 1.66 C ATOM 810 C GLY A 54 2.113 12.230 -10.610 1.00 1.45 C ATOM 811 O GLY A 54 2.768 12.946 -11.341 1.00 1.44 O ATOM 0 H GLY A 54 3.538 10.516 -8.634 1.00 1.60 H new ATOM 0 HA2 GLY A 54 3.371 10.513 -10.992 1.00 1.66 H new ATOM 0 HA3 GLY A 54 1.661 10.137 -10.907 1.00 1.66 H new ATOM 815 N ASP A 55 1.090 12.685 -9.922 1.00 1.41 N ATOM 816 CA ASP A 55 0.682 14.124 -10.002 1.00 1.30 C ATOM 817 C ASP A 55 0.248 14.497 -11.434 1.00 1.39 C ATOM 818 O ASP A 55 -0.179 13.656 -12.203 1.00 1.60 O ATOM 819 CB ASP A 55 1.923 14.913 -9.561 1.00 1.13 C ATOM 820 CG ASP A 55 1.485 16.250 -8.975 1.00 1.16 C ATOM 821 OD1 ASP A 55 1.375 17.197 -9.736 1.00 1.25 O ATOM 822 OD2 ASP A 55 1.239 16.302 -7.782 1.00 1.38 O ATOM 0 H ASP A 55 0.515 12.113 -9.303 1.00 1.41 H new ATOM 0 HA ASP A 55 -0.178 14.344 -9.369 1.00 1.30 H new ATOM 0 HB2 ASP A 55 2.486 14.345 -8.820 1.00 1.13 H new ATOM 0 HB3 ASP A 55 2.587 15.075 -10.410 1.00 1.13 H new ATOM 827 N GLY A 56 0.335 15.757 -11.786 1.00 1.36 N ATOM 828 CA GLY A 56 -0.083 16.201 -13.147 1.00 1.55 C ATOM 829 C GLY A 56 -0.468 17.676 -13.074 1.00 1.52 C ATOM 830 O GLY A 56 -0.120 18.464 -13.932 1.00 1.54 O ATOM 0 H GLY A 56 0.681 16.501 -11.181 1.00 1.36 H new ATOM 0 HA2 GLY A 56 0.729 16.056 -13.860 1.00 1.55 H new ATOM 0 HA3 GLY A 56 -0.926 15.606 -13.498 1.00 1.55 H new ATOM 834 N GLU A 57 -1.182 18.056 -12.041 1.00 1.58 N ATOM 835 CA GLU A 57 -1.584 19.484 -11.902 1.00 1.68 C ATOM 836 C GLU A 57 -0.883 20.148 -10.705 1.00 1.59 C ATOM 837 O GLU A 57 -0.467 21.292 -10.793 1.00 1.64 O ATOM 838 CB GLU A 57 -3.105 19.467 -11.711 1.00 1.97 C ATOM 839 CG GLU A 57 -3.780 20.090 -12.943 1.00 2.15 C ATOM 840 CD GLU A 57 -3.413 21.573 -13.047 1.00 2.19 C ATOM 841 OE1 GLU A 57 -4.113 22.381 -12.463 1.00 2.44 O ATOM 842 OE2 GLU A 57 -2.431 21.877 -13.711 1.00 2.08 O ATOM 0 H GLU A 57 -1.501 17.439 -11.294 1.00 1.58 H new ATOM 0 HA GLU A 57 -1.296 20.066 -12.778 1.00 1.68 H new ATOM 0 HB2 GLU A 57 -3.454 18.444 -11.570 1.00 1.97 H new ATOM 0 HB3 GLU A 57 -3.376 20.023 -10.814 1.00 1.97 H new ATOM 0 HG2 GLU A 57 -3.465 19.565 -13.845 1.00 2.15 H new ATOM 0 HG3 GLU A 57 -4.862 19.979 -12.870 1.00 2.15 H new ATOM 849 N THR A 58 -0.732 19.459 -9.594 1.00 1.50 N ATOM 850 CA THR A 58 -0.042 20.084 -8.414 1.00 1.44 C ATOM 851 C THR A 58 1.369 20.535 -8.815 1.00 1.26 C ATOM 852 O THR A 58 1.816 21.594 -8.423 1.00 1.37 O ATOM 853 CB THR A 58 0.037 19.000 -7.324 1.00 1.36 C ATOM 854 OG1 THR A 58 -0.796 17.898 -7.658 1.00 1.50 O ATOM 855 CG2 THR A 58 -0.420 19.580 -5.986 1.00 1.61 C ATOM 0 H THR A 58 -1.053 18.501 -9.454 1.00 1.50 H new ATOM 0 HA THR A 58 -0.584 20.959 -8.056 1.00 1.44 H new ATOM 0 HB THR A 58 1.070 18.660 -7.249 1.00 1.36 H new ATOM 0 HG1 THR A 58 -0.343 17.062 -7.421 1.00 1.50 H new ATOM 0 HG21 THR A 58 -0.363 18.810 -5.217 1.00 1.61 H new ATOM 0 HG22 THR A 58 0.225 20.415 -5.712 1.00 1.61 H new ATOM 0 HG23 THR A 58 -1.449 19.930 -6.073 1.00 1.61 H new ATOM 863 N LYS A 59 2.057 19.726 -9.598 1.00 1.08 N ATOM 864 CA LYS A 59 3.449 20.055 -10.065 1.00 1.02 C ATOM 865 C LYS A 59 4.445 20.026 -8.895 1.00 0.93 C ATOM 866 O LYS A 59 4.317 20.756 -7.931 1.00 0.91 O ATOM 867 CB LYS A 59 3.370 21.452 -10.704 1.00 1.27 C ATOM 868 CG LYS A 59 2.987 21.315 -12.184 1.00 1.25 C ATOM 869 CD LYS A 59 2.146 22.523 -12.618 1.00 1.52 C ATOM 870 CE LYS A 59 0.965 22.054 -13.478 1.00 1.62 C ATOM 871 NZ LYS A 59 -0.246 22.595 -12.794 1.00 1.78 N ATOM 0 H LYS A 59 1.703 18.833 -9.939 1.00 1.08 H new ATOM 0 HA LYS A 59 3.809 19.320 -10.785 1.00 1.02 H new ATOM 0 HB2 LYS A 59 2.633 22.062 -10.181 1.00 1.27 H new ATOM 0 HB3 LYS A 59 4.329 21.961 -10.611 1.00 1.27 H new ATOM 0 HG2 LYS A 59 3.886 21.247 -12.797 1.00 1.25 H new ATOM 0 HG3 LYS A 59 2.425 20.394 -12.340 1.00 1.25 H new ATOM 0 HD2 LYS A 59 1.779 23.056 -11.741 1.00 1.52 H new ATOM 0 HD3 LYS A 59 2.763 23.223 -13.182 1.00 1.52 H new ATOM 0 HE2 LYS A 59 1.044 22.431 -14.498 1.00 1.62 H new ATOM 0 HE3 LYS A 59 0.930 20.966 -13.542 1.00 1.62 H new ATOM 0 HZ1 LYS A 59 -1.087 22.404 -13.375 1.00 1.78 H new ATOM 0 HZ2 LYS A 59 -0.355 22.137 -11.867 1.00 1.78 H new ATOM 0 HZ3 LYS A 59 -0.141 23.621 -12.663 1.00 1.78 H new ATOM 885 N GLU A 60 5.447 19.180 -8.990 1.00 0.99 N ATOM 886 CA GLU A 60 6.480 19.075 -7.909 1.00 0.98 C ATOM 887 C GLU A 60 5.829 19.005 -6.512 1.00 0.88 C ATOM 888 O GLU A 60 6.109 19.823 -5.657 1.00 0.91 O ATOM 889 CB GLU A 60 7.316 20.345 -8.065 1.00 1.07 C ATOM 890 CG GLU A 60 8.307 20.170 -9.224 1.00 1.23 C ATOM 891 CD GLU A 60 7.801 20.931 -10.451 1.00 1.24 C ATOM 892 OE1 GLU A 60 7.977 22.137 -10.489 1.00 1.50 O ATOM 893 OE2 GLU A 60 7.243 20.294 -11.328 1.00 1.41 O ATOM 0 H GLU A 60 5.593 18.552 -9.780 1.00 0.99 H new ATOM 0 HA GLU A 60 7.078 18.168 -7.996 1.00 0.98 H new ATOM 0 HB2 GLU A 60 6.666 21.199 -8.255 1.00 1.07 H new ATOM 0 HB3 GLU A 60 7.855 20.554 -7.141 1.00 1.07 H new ATOM 0 HG2 GLU A 60 9.290 20.540 -8.934 1.00 1.23 H new ATOM 0 HG3 GLU A 60 8.422 19.112 -9.461 1.00 1.23 H new ATOM 900 N PRO A 61 4.982 18.016 -6.322 1.00 0.87 N ATOM 901 CA PRO A 61 4.284 17.843 -5.013 1.00 0.86 C ATOM 902 C PRO A 61 5.271 17.494 -3.888 1.00 0.83 C ATOM 903 O PRO A 61 5.043 17.819 -2.737 1.00 0.92 O ATOM 904 CB PRO A 61 3.324 16.681 -5.276 1.00 0.96 C ATOM 905 CG PRO A 61 3.939 15.935 -6.413 1.00 1.01 C ATOM 906 CD PRO A 61 4.600 16.969 -7.281 1.00 0.95 C ATOM 0 HA PRO A 61 3.781 18.752 -4.683 1.00 0.86 H new ATOM 0 HB2 PRO A 61 3.219 16.046 -4.396 1.00 0.96 H new ATOM 0 HB3 PRO A 61 2.327 17.040 -5.531 1.00 0.96 H new ATOM 0 HG2 PRO A 61 4.665 15.206 -6.053 1.00 1.01 H new ATOM 0 HG3 PRO A 61 3.183 15.383 -6.971 1.00 1.01 H new ATOM 0 HD2 PRO A 61 5.468 16.563 -7.801 1.00 0.95 H new ATOM 0 HD3 PRO A 61 3.920 17.349 -8.043 1.00 0.95 H new ATOM 914 N PHE A 62 6.356 16.832 -4.210 1.00 0.80 N ATOM 915 CA PHE A 62 7.355 16.449 -3.161 1.00 0.80 C ATOM 916 C PHE A 62 7.931 17.693 -2.471 1.00 0.80 C ATOM 917 O PHE A 62 7.702 17.924 -1.297 1.00 0.79 O ATOM 918 CB PHE A 62 8.452 15.680 -3.914 1.00 0.87 C ATOM 919 CG PHE A 62 8.075 14.217 -4.042 1.00 0.89 C ATOM 920 CD1 PHE A 62 6.734 13.841 -4.213 1.00 0.95 C ATOM 921 CD2 PHE A 62 9.071 13.235 -3.993 1.00 1.06 C ATOM 922 CE1 PHE A 62 6.395 12.488 -4.333 1.00 1.03 C ATOM 923 CE2 PHE A 62 8.731 11.883 -4.114 1.00 1.20 C ATOM 924 CZ PHE A 62 7.394 11.510 -4.283 1.00 1.13 C ATOM 0 H PHE A 62 6.594 16.539 -5.158 1.00 0.80 H new ATOM 0 HA PHE A 62 6.905 15.846 -2.372 1.00 0.80 H new ATOM 0 HB2 PHE A 62 8.596 16.114 -4.904 1.00 0.87 H new ATOM 0 HB3 PHE A 62 9.400 15.773 -3.384 1.00 0.87 H new ATOM 0 HD1 PHE A 62 5.963 14.596 -4.252 1.00 0.95 H new ATOM 0 HD2 PHE A 62 10.104 13.521 -3.862 1.00 1.06 H new ATOM 0 HE1 PHE A 62 5.363 12.199 -4.464 1.00 1.03 H new ATOM 0 HE2 PHE A 62 9.502 11.127 -4.077 1.00 1.20 H new ATOM 0 HZ PHE A 62 7.132 10.466 -4.375 1.00 1.13 H new ATOM 934 N LEU A 63 8.669 18.494 -3.193 1.00 0.86 N ATOM 935 CA LEU A 63 9.263 19.731 -2.585 1.00 0.91 C ATOM 936 C LEU A 63 8.165 20.726 -2.177 1.00 0.89 C ATOM 937 O LEU A 63 8.336 21.495 -1.247 1.00 0.93 O ATOM 938 CB LEU A 63 10.195 20.331 -3.651 1.00 1.02 C ATOM 939 CG LEU A 63 9.403 20.774 -4.886 1.00 1.07 C ATOM 940 CD1 LEU A 63 9.196 22.289 -4.849 1.00 1.24 C ATOM 941 CD2 LEU A 63 10.194 20.410 -6.142 1.00 1.24 C ATOM 0 H LEU A 63 8.889 18.349 -4.178 1.00 0.86 H new ATOM 0 HA LEU A 63 9.814 19.498 -1.674 1.00 0.91 H new ATOM 0 HB2 LEU A 63 10.730 21.183 -3.233 1.00 1.02 H new ATOM 0 HB3 LEU A 63 10.945 19.594 -3.940 1.00 1.02 H new ATOM 0 HG LEU A 63 8.434 20.275 -4.895 1.00 1.07 H new ATOM 0 HD11 LEU A 63 8.633 22.601 -5.728 1.00 1.24 H new ATOM 0 HD12 LEU A 63 8.643 22.559 -3.949 1.00 1.24 H new ATOM 0 HD13 LEU A 63 10.165 22.789 -4.843 1.00 1.24 H new ATOM 0 HD21 LEU A 63 9.637 20.722 -7.026 1.00 1.24 H new ATOM 0 HD22 LEU A 63 11.159 20.916 -6.124 1.00 1.24 H new ATOM 0 HD23 LEU A 63 10.351 19.332 -6.174 1.00 1.24 H new ATOM 953 N LEU A 64 7.038 20.707 -2.848 1.00 0.86 N ATOM 954 CA LEU A 64 5.926 21.643 -2.486 1.00 0.88 C ATOM 955 C LEU A 64 5.522 21.424 -1.024 1.00 0.82 C ATOM 956 O LEU A 64 5.574 22.339 -0.220 1.00 0.86 O ATOM 957 CB LEU A 64 4.770 21.301 -3.431 1.00 0.91 C ATOM 958 CG LEU A 64 3.778 22.467 -3.475 1.00 1.12 C ATOM 959 CD1 LEU A 64 3.594 22.923 -4.923 1.00 1.58 C ATOM 960 CD2 LEU A 64 2.429 22.016 -2.910 1.00 1.58 C ATOM 0 H LEU A 64 6.840 20.084 -3.631 1.00 0.86 H new ATOM 0 HA LEU A 64 6.217 22.689 -2.587 1.00 0.88 H new ATOM 0 HB2 LEU A 64 5.153 21.099 -4.431 1.00 0.91 H new ATOM 0 HB3 LEU A 64 4.267 20.395 -3.093 1.00 0.91 H new ATOM 0 HG LEU A 64 4.164 23.293 -2.877 1.00 1.12 H new ATOM 0 HD11 LEU A 64 2.888 23.753 -4.956 1.00 1.58 H new ATOM 0 HD12 LEU A 64 4.553 23.246 -5.327 1.00 1.58 H new ATOM 0 HD13 LEU A 64 3.209 22.095 -5.519 1.00 1.58 H new ATOM 0 HD21 LEU A 64 1.725 22.847 -2.942 1.00 1.58 H new ATOM 0 HD22 LEU A 64 2.043 21.190 -3.507 1.00 1.58 H new ATOM 0 HD23 LEU A 64 2.558 21.689 -1.878 1.00 1.58 H new ATOM 972 N VAL A 65 5.144 20.220 -0.662 1.00 0.77 N ATOM 973 CA VAL A 65 4.769 19.965 0.768 1.00 0.74 C ATOM 974 C VAL A 65 6.023 19.942 1.637 1.00 0.71 C ATOM 975 O VAL A 65 5.982 20.310 2.791 1.00 0.72 O ATOM 976 CB VAL A 65 4.034 18.624 0.807 1.00 0.76 C ATOM 977 CG1 VAL A 65 4.931 17.492 0.297 1.00 0.79 C ATOM 978 CG2 VAL A 65 3.614 18.317 2.244 1.00 0.78 C ATOM 0 H VAL A 65 5.079 19.414 -1.283 1.00 0.77 H new ATOM 0 HA VAL A 65 4.124 20.752 1.159 1.00 0.74 H new ATOM 0 HB VAL A 65 3.158 18.694 0.163 1.00 0.76 H new ATOM 0 HG11 VAL A 65 4.385 16.550 0.335 1.00 0.79 H new ATOM 0 HG12 VAL A 65 5.228 17.698 -0.731 1.00 0.79 H new ATOM 0 HG13 VAL A 65 5.820 17.422 0.924 1.00 0.79 H new ATOM 0 HG21 VAL A 65 3.090 17.362 2.274 1.00 0.78 H new ATOM 0 HG22 VAL A 65 4.499 18.265 2.879 1.00 0.78 H new ATOM 0 HG23 VAL A 65 2.953 19.105 2.606 1.00 0.78 H new ATOM 988 N GLN A 66 7.144 19.549 1.090 1.00 0.72 N ATOM 989 CA GLN A 66 8.398 19.560 1.901 1.00 0.74 C ATOM 990 C GLN A 66 8.652 20.997 2.373 1.00 0.78 C ATOM 991 O GLN A 66 8.850 21.253 3.544 1.00 0.79 O ATOM 992 CB GLN A 66 9.508 19.078 0.958 1.00 0.80 C ATOM 993 CG GLN A 66 9.777 17.584 1.192 1.00 0.84 C ATOM 994 CD GLN A 66 10.863 17.400 2.257 1.00 0.87 C ATOM 995 OE1 GLN A 66 10.652 17.698 3.415 1.00 0.92 O ATOM 996 NE2 GLN A 66 12.022 16.912 1.921 1.00 1.04 N ATOM 0 H GLN A 66 7.246 19.225 0.128 1.00 0.72 H new ATOM 0 HA GLN A 66 8.347 18.921 2.783 1.00 0.74 H new ATOM 0 HB2 GLN A 66 9.216 19.246 -0.079 1.00 0.80 H new ATOM 0 HB3 GLN A 66 10.418 19.652 1.130 1.00 0.80 H new ATOM 0 HG2 GLN A 66 8.860 17.088 1.509 1.00 0.84 H new ATOM 0 HG3 GLN A 66 10.089 17.113 0.260 1.00 0.84 H new ATOM 0 HE21 GLN A 66 12.207 16.659 0.950 1.00 1.04 H new ATOM 0 HE22 GLN A 66 12.745 16.782 2.628 1.00 1.04 H new ATOM 1005 N TYR A 67 8.601 21.936 1.466 1.00 0.85 N ATOM 1006 CA TYR A 67 8.797 23.371 1.845 1.00 0.94 C ATOM 1007 C TYR A 67 7.578 23.874 2.625 1.00 0.94 C ATOM 1008 O TYR A 67 7.705 24.499 3.665 1.00 0.99 O ATOM 1009 CB TYR A 67 8.925 24.125 0.519 1.00 1.04 C ATOM 1010 CG TYR A 67 10.361 24.521 0.282 1.00 1.80 C ATOM 1011 CD1 TYR A 67 10.893 25.643 0.926 1.00 2.52 C ATOM 1012 CD2 TYR A 67 11.152 23.777 -0.599 1.00 2.24 C ATOM 1013 CE1 TYR A 67 12.219 26.019 0.691 1.00 3.31 C ATOM 1014 CE2 TYR A 67 12.478 24.156 -0.835 1.00 3.08 C ATOM 1015 CZ TYR A 67 13.008 25.276 -0.189 1.00 3.50 C ATOM 1016 OH TYR A 67 14.313 25.649 -0.422 1.00 4.38 O ATOM 0 H TYR A 67 8.431 21.773 0.474 1.00 0.85 H new ATOM 0 HA TYR A 67 9.672 23.514 2.479 1.00 0.94 H new ATOM 0 HB2 TYR A 67 8.573 23.498 -0.300 1.00 1.04 H new ATOM 0 HB3 TYR A 67 8.293 25.013 0.535 1.00 1.04 H new ATOM 0 HD1 TYR A 67 10.280 26.218 1.604 1.00 2.52 H new ATOM 0 HD2 TYR A 67 10.740 22.911 -1.096 1.00 2.24 H new ATOM 0 HE1 TYR A 67 12.632 26.883 1.190 1.00 3.31 H new ATOM 0 HE2 TYR A 67 13.091 23.584 -1.515 1.00 3.08 H new ATOM 0 HH TYR A 67 14.723 25.026 -1.058 1.00 4.38 H new ATOM 1026 N SER A 68 6.397 23.593 2.123 1.00 0.91 N ATOM 1027 CA SER A 68 5.139 24.035 2.816 1.00 0.95 C ATOM 1028 C SER A 68 5.133 23.544 4.263 1.00 0.90 C ATOM 1029 O SER A 68 4.833 24.289 5.167 1.00 0.99 O ATOM 1030 CB SER A 68 3.979 23.400 2.042 1.00 0.95 C ATOM 1031 OG SER A 68 3.985 23.875 0.701 1.00 1.07 O ATOM 0 H SER A 68 6.248 23.073 1.258 1.00 0.91 H new ATOM 0 HA SER A 68 5.059 25.122 2.836 1.00 0.95 H new ATOM 0 HB2 SER A 68 4.071 22.314 2.054 1.00 0.95 H new ATOM 0 HB3 SER A 68 3.031 23.645 2.521 1.00 0.95 H new ATOM 0 HG SER A 68 4.754 23.499 0.224 1.00 1.07 H new ATOM 1037 N ALA A 69 5.452 22.295 4.491 1.00 0.79 N ATOM 1038 CA ALA A 69 5.462 21.773 5.894 1.00 0.76 C ATOM 1039 C ALA A 69 6.659 22.326 6.688 1.00 0.78 C ATOM 1040 O ALA A 69 6.492 22.938 7.726 1.00 0.84 O ATOM 1041 CB ALA A 69 5.555 20.252 5.754 1.00 0.72 C ATOM 0 H ALA A 69 5.705 21.617 3.772 1.00 0.79 H new ATOM 0 HA ALA A 69 4.572 22.079 6.443 1.00 0.76 H new ATOM 0 HB1 ALA A 69 5.567 19.796 6.744 1.00 0.72 H new ATOM 0 HB2 ALA A 69 4.694 19.885 5.196 1.00 0.72 H new ATOM 0 HB3 ALA A 69 6.470 19.991 5.223 1.00 0.72 H new ATOM 1047 N LYS A 70 7.856 22.102 6.214 1.00 0.76 N ATOM 1048 CA LYS A 70 9.081 22.585 6.934 1.00 0.82 C ATOM 1049 C LYS A 70 9.030 24.077 7.260 1.00 0.91 C ATOM 1050 O LYS A 70 9.114 24.467 8.407 1.00 0.96 O ATOM 1051 CB LYS A 70 10.213 22.312 5.953 1.00 0.85 C ATOM 1052 CG LYS A 70 10.789 20.936 6.229 1.00 0.88 C ATOM 1053 CD LYS A 70 9.784 19.848 5.833 1.00 0.88 C ATOM 1054 CE LYS A 70 10.177 18.517 6.474 1.00 0.81 C ATOM 1055 NZ LYS A 70 9.651 17.485 5.540 1.00 0.80 N ATOM 0 H LYS A 70 8.044 21.598 5.347 1.00 0.76 H new ATOM 0 HA LYS A 70 9.193 22.083 7.895 1.00 0.82 H new ATOM 0 HB2 LYS A 70 9.844 22.367 4.929 1.00 0.85 H new ATOM 0 HB3 LYS A 70 10.989 23.071 6.053 1.00 0.85 H new ATOM 0 HG2 LYS A 70 11.716 20.804 5.671 1.00 0.88 H new ATOM 0 HG3 LYS A 70 11.037 20.844 7.286 1.00 0.88 H new ATOM 0 HD2 LYS A 70 8.782 20.133 6.152 1.00 0.88 H new ATOM 0 HD3 LYS A 70 9.756 19.745 4.748 1.00 0.88 H new ATOM 0 HE2 LYS A 70 11.258 18.435 6.588 1.00 0.81 H new ATOM 0 HE3 LYS A 70 9.742 18.411 7.468 1.00 0.81 H new ATOM 0 HZ1 LYS A 70 9.787 16.541 5.954 1.00 0.80 H new ATOM 0 HZ2 LYS A 70 8.637 17.649 5.377 1.00 0.80 H new ATOM 0 HZ3 LYS A 70 10.161 17.543 4.635 1.00 0.80 H new ATOM 1069 N GLY A 71 8.934 24.894 6.249 1.00 0.95 N ATOM 1070 CA GLY A 71 8.909 26.392 6.437 1.00 1.07 C ATOM 1071 C GLY A 71 8.243 26.783 7.765 1.00 1.10 C ATOM 1072 O GLY A 71 8.903 27.280 8.660 1.00 1.15 O ATOM 0 H GLY A 71 8.870 24.591 5.277 1.00 0.95 H new ATOM 0 HA2 GLY A 71 9.927 26.780 6.412 1.00 1.07 H new ATOM 0 HA3 GLY A 71 8.371 26.854 5.609 1.00 1.07 H new ATOM 1076 N PRO A 72 6.957 26.539 7.858 1.00 1.09 N ATOM 1077 CA PRO A 72 6.208 26.865 9.098 1.00 1.14 C ATOM 1078 C PRO A 72 6.681 25.988 10.261 1.00 1.09 C ATOM 1079 O PRO A 72 6.851 26.468 11.363 1.00 1.15 O ATOM 1080 CB PRO A 72 4.752 26.584 8.729 1.00 1.17 C ATOM 1081 CG PRO A 72 4.835 25.607 7.606 1.00 1.10 C ATOM 1082 CD PRO A 72 6.088 25.944 6.841 1.00 1.07 C ATOM 0 HA PRO A 72 6.355 27.892 9.432 1.00 1.14 H new ATOM 0 HB2 PRO A 72 4.201 26.172 9.574 1.00 1.17 H new ATOM 0 HB3 PRO A 72 4.236 27.495 8.426 1.00 1.17 H new ATOM 0 HG2 PRO A 72 4.873 24.585 7.983 1.00 1.10 H new ATOM 0 HG3 PRO A 72 3.957 25.678 6.964 1.00 1.10 H new ATOM 0 HD2 PRO A 72 6.539 25.056 6.397 1.00 1.07 H new ATOM 0 HD3 PRO A 72 5.887 26.640 6.027 1.00 1.07 H new ATOM 1090 N CYS A 73 6.926 24.716 10.035 1.00 1.01 N ATOM 1091 CA CYS A 73 7.418 23.852 11.157 1.00 1.01 C ATOM 1092 C CYS A 73 8.732 24.426 11.699 1.00 1.06 C ATOM 1093 O CYS A 73 8.938 24.520 12.897 1.00 1.12 O ATOM 1094 CB CYS A 73 7.637 22.459 10.557 1.00 0.96 C ATOM 1095 SG CYS A 73 6.840 21.219 11.608 1.00 1.58 S ATOM 0 H CYS A 73 6.809 24.246 9.137 1.00 1.01 H new ATOM 0 HA CYS A 73 6.711 23.808 11.985 1.00 1.01 H new ATOM 0 HB2 CYS A 73 7.225 22.416 9.549 1.00 0.96 H new ATOM 0 HB3 CYS A 73 8.704 22.250 10.474 1.00 0.96 H new ATOM 0 HG CYS A 73 7.023 20.037 11.099 1.00 1.58 H new ATOM 1101 N VAL A 74 9.603 24.837 10.818 1.00 1.07 N ATOM 1102 CA VAL A 74 10.900 25.436 11.258 1.00 1.17 C ATOM 1103 C VAL A 74 10.643 26.819 11.848 1.00 1.25 C ATOM 1104 O VAL A 74 11.153 27.155 12.898 1.00 1.33 O ATOM 1105 CB VAL A 74 11.771 25.520 9.997 1.00 1.18 C ATOM 1106 CG1 VAL A 74 13.025 26.349 10.287 1.00 1.37 C ATOM 1107 CG2 VAL A 74 12.194 24.112 9.574 1.00 1.17 C ATOM 0 H VAL A 74 9.473 24.784 9.808 1.00 1.07 H new ATOM 0 HA VAL A 74 11.395 24.844 12.028 1.00 1.17 H new ATOM 0 HB VAL A 74 11.197 25.991 9.199 1.00 1.18 H new ATOM 0 HG11 VAL A 74 13.640 26.405 9.389 1.00 1.37 H new ATOM 0 HG12 VAL A 74 12.734 27.354 10.591 1.00 1.37 H new ATOM 0 HG13 VAL A 74 13.595 25.878 11.088 1.00 1.37 H new ATOM 0 HG21 VAL A 74 12.813 24.172 8.678 1.00 1.17 H new ATOM 0 HG22 VAL A 74 12.764 23.646 10.378 1.00 1.17 H new ATOM 0 HG23 VAL A 74 11.308 23.514 9.364 1.00 1.17 H new ATOM 1117 N GLU A 75 9.837 27.613 11.194 1.00 1.26 N ATOM 1118 CA GLU A 75 9.522 28.970 11.741 1.00 1.38 C ATOM 1119 C GLU A 75 8.933 28.828 13.149 1.00 1.39 C ATOM 1120 O GLU A 75 9.283 29.556 14.057 1.00 1.47 O ATOM 1121 CB GLU A 75 8.500 29.582 10.776 1.00 1.42 C ATOM 1122 CG GLU A 75 8.839 31.062 10.540 1.00 1.56 C ATOM 1123 CD GLU A 75 8.537 31.878 11.798 1.00 1.63 C ATOM 1124 OE1 GLU A 75 7.370 32.003 12.138 1.00 1.72 O ATOM 1125 OE2 GLU A 75 9.479 32.368 12.402 1.00 1.68 O ATOM 0 H GLU A 75 9.384 27.384 10.309 1.00 1.26 H new ATOM 0 HA GLU A 75 10.407 29.602 11.821 1.00 1.38 H new ATOM 0 HB2 GLU A 75 8.508 29.041 9.830 1.00 1.42 H new ATOM 0 HB3 GLU A 75 7.495 29.489 11.187 1.00 1.42 H new ATOM 0 HG2 GLU A 75 9.891 31.164 10.275 1.00 1.56 H new ATOM 0 HG3 GLU A 75 8.260 31.446 9.700 1.00 1.56 H new ATOM 1132 N ARG A 76 8.062 27.873 13.337 1.00 1.33 N ATOM 1133 CA ARG A 76 7.460 27.654 14.690 1.00 1.38 C ATOM 1134 C ARG A 76 8.539 27.170 15.663 1.00 1.38 C ATOM 1135 O ARG A 76 8.699 27.710 16.741 1.00 1.46 O ATOM 1136 CB ARG A 76 6.383 26.578 14.497 1.00 1.37 C ATOM 1137 CG ARG A 76 4.998 27.232 14.495 1.00 1.49 C ATOM 1138 CD ARG A 76 4.646 27.668 13.073 1.00 1.48 C ATOM 1139 NE ARG A 76 4.282 29.112 13.188 1.00 1.58 N ATOM 1140 CZ ARG A 76 5.124 30.024 12.813 1.00 1.60 C ATOM 1141 NH1 ARG A 76 5.249 30.317 11.559 1.00 1.70 N ATOM 1142 NH2 ARG A 76 5.838 30.648 13.689 1.00 1.63 N ATOM 0 H ARG A 76 7.739 27.232 12.612 1.00 1.33 H new ATOM 0 HA ARG A 76 7.035 28.568 15.104 1.00 1.38 H new ATOM 0 HB2 ARG A 76 6.548 26.049 13.559 1.00 1.37 H new ATOM 0 HB3 ARG A 76 6.446 25.839 15.295 1.00 1.37 H new ATOM 0 HG2 ARG A 76 4.252 26.530 14.868 1.00 1.49 H new ATOM 0 HG3 ARG A 76 4.989 28.092 15.164 1.00 1.49 H new ATOM 0 HD2 ARG A 76 5.489 27.527 12.397 1.00 1.48 H new ATOM 0 HD3 ARG A 76 3.817 27.083 12.675 1.00 1.48 H new ATOM 0 HE ARG A 76 3.372 29.381 13.561 1.00 1.58 H new ATOM 0 HH11 ARG A 76 4.684 29.830 10.863 1.00 1.70 H new ATOM 0 HH12 ARG A 76 5.912 31.035 11.267 1.00 1.70 H new ATOM 0 HH21 ARG A 76 5.741 30.424 14.679 1.00 1.63 H new ATOM 0 HH22 ARG A 76 6.499 31.365 13.391 1.00 1.63 H new ATOM 1156 N LYS A 77 9.287 26.164 15.280 1.00 1.35 N ATOM 1157 CA LYS A 77 10.374 25.653 16.178 1.00 1.42 C ATOM 1158 C LYS A 77 11.358 26.785 16.489 1.00 1.49 C ATOM 1159 O LYS A 77 11.796 26.953 17.614 1.00 1.59 O ATOM 1160 CB LYS A 77 11.064 24.530 15.389 1.00 1.40 C ATOM 1161 CG LYS A 77 10.563 23.167 15.880 1.00 1.54 C ATOM 1162 CD LYS A 77 11.621 22.525 16.783 1.00 1.87 C ATOM 1163 CE LYS A 77 11.321 22.857 18.249 1.00 1.95 C ATOM 1164 NZ LYS A 77 12.536 23.576 18.734 1.00 2.24 N ATOM 0 H LYS A 77 9.194 25.676 14.389 1.00 1.35 H new ATOM 0 HA LYS A 77 9.990 25.288 17.130 1.00 1.42 H new ATOM 0 HB2 LYS A 77 10.858 24.641 14.324 1.00 1.40 H new ATOM 0 HB3 LYS A 77 12.145 24.597 15.513 1.00 1.40 H new ATOM 0 HG2 LYS A 77 9.628 23.288 16.427 1.00 1.54 H new ATOM 0 HG3 LYS A 77 10.353 22.518 15.030 1.00 1.54 H new ATOM 0 HD2 LYS A 77 11.628 21.445 16.639 1.00 1.87 H new ATOM 0 HD3 LYS A 77 12.612 22.889 16.513 1.00 1.87 H new ATOM 0 HE2 LYS A 77 10.431 23.479 18.339 1.00 1.95 H new ATOM 0 HE3 LYS A 77 11.138 21.953 18.830 1.00 1.95 H new ATOM 0 HZ1 LYS A 77 12.409 23.838 19.732 1.00 2.24 H new ATOM 0 HZ2 LYS A 77 13.366 22.956 18.642 1.00 2.24 H new ATOM 0 HZ3 LYS A 77 12.681 24.435 18.166 1.00 2.24 H new ATOM 1178 N ALA A 78 11.684 27.568 15.496 1.00 1.47 N ATOM 1179 CA ALA A 78 12.620 28.713 15.698 1.00 1.58 C ATOM 1180 C ALA A 78 11.981 29.751 16.615 1.00 1.64 C ATOM 1181 O ALA A 78 12.577 30.184 17.571 1.00 1.76 O ATOM 1182 CB ALA A 78 12.864 29.286 14.298 1.00 1.59 C ATOM 0 H ALA A 78 11.338 27.462 14.542 1.00 1.47 H new ATOM 0 HA ALA A 78 13.555 28.410 16.170 1.00 1.58 H new ATOM 0 HB1 ALA A 78 13.545 30.134 14.366 1.00 1.59 H new ATOM 0 HB2 ALA A 78 13.303 28.518 13.662 1.00 1.59 H new ATOM 0 HB3 ALA A 78 11.917 29.614 13.869 1.00 1.59 H new ATOM 1188 N LYS A 79 10.769 30.136 16.346 1.00 1.60 N ATOM 1189 CA LYS A 79 10.092 31.137 17.231 1.00 1.70 C ATOM 1190 C LYS A 79 9.948 30.564 18.651 1.00 1.77 C ATOM 1191 O LYS A 79 10.289 31.208 19.628 1.00 1.99 O ATOM 1192 CB LYS A 79 8.712 31.381 16.606 1.00 1.71 C ATOM 1193 CG LYS A 79 8.867 32.015 15.220 1.00 1.72 C ATOM 1194 CD LYS A 79 8.670 33.532 15.307 1.00 1.56 C ATOM 1195 CE LYS A 79 10.029 34.234 15.202 1.00 1.61 C ATOM 1196 NZ LYS A 79 10.344 34.270 13.740 1.00 1.80 N ATOM 0 H LYS A 79 10.214 29.807 15.556 1.00 1.60 H new ATOM 0 HA LYS A 79 10.660 32.064 17.310 1.00 1.70 H new ATOM 0 HB2 LYS A 79 8.169 30.439 16.525 1.00 1.71 H new ATOM 0 HB3 LYS A 79 8.123 32.034 17.250 1.00 1.71 H new ATOM 0 HG2 LYS A 79 9.855 31.792 14.818 1.00 1.72 H new ATOM 0 HG3 LYS A 79 8.139 31.585 14.532 1.00 1.72 H new ATOM 0 HD2 LYS A 79 8.012 33.870 14.506 1.00 1.56 H new ATOM 0 HD3 LYS A 79 8.186 33.793 16.248 1.00 1.56 H new ATOM 0 HE2 LYS A 79 9.985 35.240 15.620 1.00 1.61 H new ATOM 0 HE3 LYS A 79 10.795 33.692 15.756 1.00 1.61 H new ATOM 0 HZ1 LYS A 79 11.367 34.141 13.602 1.00 1.80 H new ATOM 0 HZ2 LYS A 79 9.830 33.507 13.255 1.00 1.80 H new ATOM 0 HZ3 LYS A 79 10.055 35.188 13.345 1.00 1.80 H new ATOM 1210 N LEU A 80 9.446 29.358 18.768 1.00 1.66 N ATOM 1211 CA LEU A 80 9.267 28.731 20.118 1.00 1.80 C ATOM 1212 C LEU A 80 10.605 28.619 20.866 1.00 1.80 C ATOM 1213 O LEU A 80 10.683 28.891 22.048 1.00 1.93 O ATOM 1214 CB LEU A 80 8.659 27.349 19.827 1.00 1.88 C ATOM 1215 CG LEU A 80 8.560 26.520 21.112 1.00 2.19 C ATOM 1216 CD1 LEU A 80 7.832 27.313 22.199 1.00 2.20 C ATOM 1217 CD2 LEU A 80 7.783 25.233 20.823 1.00 3.18 C ATOM 0 H LEU A 80 9.151 28.777 17.983 1.00 1.66 H new ATOM 0 HA LEU A 80 8.626 29.327 20.768 1.00 1.80 H new ATOM 0 HB2 LEU A 80 7.669 27.467 19.387 1.00 1.88 H new ATOM 0 HB3 LEU A 80 9.272 26.823 19.095 1.00 1.88 H new ATOM 0 HG LEU A 80 9.565 26.281 21.459 1.00 2.19 H new ATOM 0 HD11 LEU A 80 7.768 26.713 23.107 1.00 2.20 H new ATOM 0 HD12 LEU A 80 8.381 28.231 22.409 1.00 2.20 H new ATOM 0 HD13 LEU A 80 6.827 27.561 21.857 1.00 2.20 H new ATOM 0 HD21 LEU A 80 7.710 24.640 21.734 1.00 3.18 H new ATOM 0 HD22 LEU A 80 6.782 25.483 20.472 1.00 3.18 H new ATOM 0 HD23 LEU A 80 8.303 24.658 20.057 1.00 3.18 H new ATOM 1229 N MET A 81 11.652 28.241 20.192 1.00 1.73 N ATOM 1230 CA MET A 81 12.981 28.135 20.875 1.00 1.78 C ATOM 1231 C MET A 81 13.643 29.520 20.968 1.00 1.59 C ATOM 1232 O MET A 81 14.424 29.781 21.861 1.00 1.72 O ATOM 1233 CB MET A 81 13.810 27.194 19.997 1.00 1.90 C ATOM 1234 CG MET A 81 14.851 26.474 20.855 1.00 2.42 C ATOM 1235 SD MET A 81 15.295 24.912 20.056 1.00 3.21 S ATOM 1236 CE MET A 81 16.843 24.629 20.948 1.00 3.83 C ATOM 0 H MET A 81 11.652 28.000 19.201 1.00 1.73 H new ATOM 0 HA MET A 81 12.892 27.760 21.894 1.00 1.78 H new ATOM 0 HB2 MET A 81 13.159 26.467 19.511 1.00 1.90 H new ATOM 0 HB3 MET A 81 14.304 27.759 19.206 1.00 1.90 H new ATOM 0 HG2 MET A 81 15.736 27.099 20.977 1.00 2.42 H new ATOM 0 HG3 MET A 81 14.453 26.287 21.852 1.00 2.42 H new ATOM 0 HE1 MET A 81 17.296 23.699 20.605 1.00 3.83 H new ATOM 0 HE2 MET A 81 17.527 25.456 20.760 1.00 3.83 H new ATOM 0 HE3 MET A 81 16.640 24.561 22.017 1.00 3.83 H new ATOM 1246 N THR A 82 13.336 30.396 20.040 1.00 1.41 N ATOM 1247 CA THR A 82 13.933 31.774 20.022 1.00 1.37 C ATOM 1248 C THR A 82 15.464 31.680 19.968 1.00 1.67 C ATOM 1249 O THR A 82 16.136 31.834 20.970 1.00 2.07 O ATOM 1250 CB THR A 82 13.464 32.471 21.313 1.00 1.54 C ATOM 1251 OG1 THR A 82 12.040 32.529 21.357 1.00 1.63 O ATOM 1252 CG2 THR A 82 14.011 33.899 21.352 1.00 1.70 C ATOM 0 H THR A 82 12.683 30.211 19.278 1.00 1.41 H new ATOM 0 HA THR A 82 13.615 32.340 19.146 1.00 1.37 H new ATOM 0 HB THR A 82 13.832 31.901 22.167 1.00 1.54 H new ATOM 0 HG1 THR A 82 11.670 32.069 20.575 1.00 1.63 H new ATOM 0 HG21 THR A 82 13.678 34.391 22.266 1.00 1.70 H new ATOM 0 HG22 THR A 82 15.100 33.872 21.330 1.00 1.70 H new ATOM 0 HG23 THR A 82 13.644 34.453 20.488 1.00 1.70 H new ATOM 1260 N PRO A 83 15.969 31.433 18.780 1.00 1.65 N ATOM 1261 CA PRO A 83 17.441 31.312 18.576 1.00 2.09 C ATOM 1262 C PRO A 83 18.160 32.661 18.769 1.00 2.10 C ATOM 1263 O PRO A 83 19.367 32.734 18.663 1.00 2.50 O ATOM 1264 CB PRO A 83 17.560 30.823 17.130 1.00 2.14 C ATOM 1265 CG PRO A 83 16.300 31.274 16.470 1.00 1.69 C ATOM 1266 CD PRO A 83 15.228 31.241 17.524 1.00 1.44 C ATOM 0 HA PRO A 83 17.908 30.640 19.296 1.00 2.09 H new ATOM 0 HB2 PRO A 83 18.437 31.247 16.640 1.00 2.14 H new ATOM 0 HB3 PRO A 83 17.663 29.739 17.086 1.00 2.14 H new ATOM 0 HG2 PRO A 83 16.413 32.279 16.064 1.00 1.69 H new ATOM 0 HG3 PRO A 83 16.044 30.620 15.636 1.00 1.69 H new ATOM 0 HD2 PRO A 83 14.490 32.028 17.370 1.00 1.44 H new ATOM 0 HD3 PRO A 83 14.689 30.294 17.518 1.00 1.44 H new ATOM 1274 N ASN A 84 17.432 33.722 19.050 1.00 1.82 N ATOM 1275 CA ASN A 84 18.073 35.061 19.247 1.00 2.07 C ATOM 1276 C ASN A 84 18.884 35.472 18.005 1.00 2.21 C ATOM 1277 O ASN A 84 19.787 36.282 18.085 1.00 2.61 O ATOM 1278 CB ASN A 84 18.980 34.895 20.475 1.00 2.59 C ATOM 1279 CG ASN A 84 18.468 35.789 21.605 1.00 2.93 C ATOM 1280 OD1 ASN A 84 19.163 36.672 22.060 1.00 2.98 O ATOM 1281 ND2 ASN A 84 17.267 35.602 22.073 1.00 3.61 N ATOM 0 H ASN A 84 16.417 33.714 19.151 1.00 1.82 H new ATOM 0 HA ASN A 84 17.334 35.849 19.396 1.00 2.07 H new ATOM 0 HB2 ASN A 84 18.990 33.853 20.796 1.00 2.59 H new ATOM 0 HB3 ASN A 84 20.006 35.161 20.222 1.00 2.59 H new ATOM 0 HD21 ASN A 84 16.913 36.198 22.821 1.00 3.61 H new ATOM 0 HD22 ASN A 84 16.681 34.860 21.691 1.00 3.61 H new ATOM 1288 N GLY A 85 18.561 34.927 16.854 1.00 1.98 N ATOM 1289 CA GLY A 85 19.306 35.296 15.608 1.00 2.23 C ATOM 1290 C GLY A 85 18.583 36.448 14.911 1.00 2.11 C ATOM 1291 O GLY A 85 18.845 37.603 15.193 1.00 2.34 O ATOM 0 H GLY A 85 17.815 34.244 16.725 1.00 1.98 H new ATOM 0 HA2 GLY A 85 20.327 35.588 15.854 1.00 2.23 H new ATOM 0 HA3 GLY A 85 19.372 34.436 14.941 1.00 2.23 H new ATOM 1295 N PRO A 86 17.686 36.097 14.023 1.00 1.99 N ATOM 1296 CA PRO A 86 16.903 37.124 13.285 1.00 2.20 C ATOM 1297 C PRO A 86 15.878 37.788 14.208 1.00 2.13 C ATOM 1298 O PRO A 86 15.484 38.917 13.989 1.00 2.55 O ATOM 1299 CB PRO A 86 16.216 36.329 12.178 1.00 2.37 C ATOM 1300 CG PRO A 86 16.137 34.927 12.703 1.00 2.12 C ATOM 1301 CD PRO A 86 17.310 34.730 13.629 1.00 1.99 C ATOM 0 HA PRO A 86 17.521 37.933 12.896 1.00 2.20 H new ATOM 0 HB2 PRO A 86 15.224 36.727 11.963 1.00 2.37 H new ATOM 0 HB3 PRO A 86 16.785 36.372 11.249 1.00 2.37 H new ATOM 0 HG2 PRO A 86 15.198 34.767 13.233 1.00 2.12 H new ATOM 0 HG3 PRO A 86 16.168 34.208 11.885 1.00 2.12 H new ATOM 0 HD2 PRO A 86 17.038 34.126 14.494 1.00 1.99 H new ATOM 0 HD3 PRO A 86 18.132 34.218 13.129 1.00 1.99 H new ATOM 1309 N GLU A 87 15.459 37.100 15.244 1.00 1.79 N ATOM 1310 CA GLU A 87 14.469 37.688 16.205 1.00 2.02 C ATOM 1311 C GLU A 87 14.984 39.028 16.746 1.00 2.58 C ATOM 1312 O GLU A 87 14.233 39.967 16.921 1.00 3.08 O ATOM 1313 CB GLU A 87 14.329 36.665 17.346 1.00 1.75 C ATOM 1314 CG GLU A 87 13.515 35.443 16.874 1.00 1.52 C ATOM 1315 CD GLU A 87 14.424 34.384 16.229 1.00 1.32 C ATOM 1316 OE1 GLU A 87 15.634 34.458 16.404 1.00 1.48 O ATOM 1317 OE2 GLU A 87 13.887 33.506 15.571 1.00 1.79 O ATOM 0 H GLU A 87 15.761 36.152 15.467 1.00 1.79 H new ATOM 0 HA GLU A 87 13.510 37.882 15.725 1.00 2.02 H new ATOM 0 HB2 GLU A 87 15.316 36.346 17.680 1.00 1.75 H new ATOM 0 HB3 GLU A 87 13.838 37.129 18.201 1.00 1.75 H new ATOM 0 HG2 GLU A 87 12.987 35.005 17.721 1.00 1.52 H new ATOM 0 HG3 GLU A 87 12.758 35.762 16.157 1.00 1.52 H new ATOM 1324 N VAL A 88 16.258 39.124 17.002 1.00 2.63 N ATOM 1325 CA VAL A 88 16.824 40.406 17.528 1.00 3.26 C ATOM 1326 C VAL A 88 17.609 41.160 16.429 1.00 3.52 C ATOM 1327 O VAL A 88 17.893 42.336 16.565 1.00 4.05 O ATOM 1328 CB VAL A 88 17.741 39.995 18.691 1.00 3.36 C ATOM 1329 CG1 VAL A 88 18.977 39.272 18.154 1.00 3.23 C ATOM 1330 CG2 VAL A 88 18.184 41.240 19.470 1.00 4.06 C ATOM 0 H VAL A 88 16.935 38.373 16.871 1.00 2.63 H new ATOM 0 HA VAL A 88 16.042 41.091 17.857 1.00 3.26 H new ATOM 0 HB VAL A 88 17.189 39.327 19.352 1.00 3.36 H new ATOM 0 HG11 VAL A 88 19.621 38.985 18.986 1.00 3.23 H new ATOM 0 HG12 VAL A 88 18.669 38.380 17.609 1.00 3.23 H new ATOM 0 HG13 VAL A 88 19.524 39.935 17.484 1.00 3.23 H new ATOM 0 HG21 VAL A 88 18.834 40.942 20.293 1.00 4.06 H new ATOM 0 HG22 VAL A 88 18.726 41.912 18.805 1.00 4.06 H new ATOM 0 HG23 VAL A 88 17.307 41.752 19.867 1.00 4.06 H new ATOM 1340 N HIS A 89 17.963 40.501 15.340 1.00 3.25 N ATOM 1341 CA HIS A 89 18.723 41.203 14.254 1.00 3.65 C ATOM 1342 C HIS A 89 17.772 41.739 13.179 1.00 3.94 C ATOM 1343 O HIS A 89 18.000 42.791 12.621 1.00 4.44 O ATOM 1344 CB HIS A 89 19.656 40.148 13.656 1.00 3.40 C ATOM 1345 CG HIS A 89 20.844 39.969 14.553 1.00 3.54 C ATOM 1346 ND1 HIS A 89 20.899 38.966 15.493 1.00 3.28 N ATOM 1347 CD2 HIS A 89 22.025 40.659 14.667 1.00 4.08 C ATOM 1348 CE1 HIS A 89 22.079 39.069 16.131 1.00 3.75 C ATOM 1349 NE2 HIS A 89 22.805 40.089 15.664 1.00 4.22 N ATOM 0 H HIS A 89 17.759 39.518 15.162 1.00 3.25 H new ATOM 0 HA HIS A 89 19.272 42.060 14.645 1.00 3.65 H new ATOM 0 HB2 HIS A 89 19.127 39.202 13.541 1.00 3.40 H new ATOM 0 HB3 HIS A 89 19.980 40.455 12.662 1.00 3.40 H new ATOM 0 HD1 HIS A 89 20.176 38.270 15.674 1.00 3.28 H new ATOM 0 HD2 HIS A 89 22.305 41.515 14.071 1.00 4.08 H new ATOM 0 HE1 HIS A 89 22.400 38.409 16.923 1.00 3.75 H new ATOM 1357 N GLY A 90 16.709 41.024 12.889 1.00 3.92 N ATOM 1358 CA GLY A 90 15.747 41.495 11.850 1.00 4.42 C ATOM 1359 C GLY A 90 15.959 40.714 10.555 1.00 4.74 C ATOM 1360 O GLY A 90 16.416 41.312 9.592 1.00 4.87 O ATOM 1361 OXT GLY A 90 15.656 39.531 10.540 1.00 5.22 O ATOM 0 H GLY A 90 16.470 40.135 13.329 1.00 3.92 H new ATOM 0 HA2 GLY A 90 14.724 41.362 12.202 1.00 4.42 H new ATOM 0 HA3 GLY A 90 15.886 42.561 11.669 1.00 4.42 H new TER 1365 GLY A 90