USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot 180:sc= 0.613 USER MOD Set 1.2: A 48 THR OG1 : rot 87:sc= 0.919 USER MOD Set 2.1: A 9 TYR OH : rot 6:sc= 0.357 USER MOD Set 2.2: A 35 TYR OH : rot 30:sc= 0.307 USER MOD Set 2.3: A 38 THR OG1 : rot 35:sc= 0.293 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -25:sc= 0.315 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.769 (180deg=0.414) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0805 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00527 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -116:sc= 0.359 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= -0.763! (180deg=-3.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 32:sc= 0.00406 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.025) USER MOD Single : A 75 HIS : no HE2:sc= 0.378 K(o=0.38,f=-1.3) USER MOD Single : A 77 LYS NZ :NH3+ -134:sc= 0.781 (180deg=0.0235) USER MOD Single : A 78 HIS : no HD1:sc= -0.0402 X(o=-0.04,f=-0.0082) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.376 K(o=0.38,f=-1.3) USER MOD Single : A 84 HIS : no HE2:sc= 0.318 K(o=0.32,f=-1.6!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.557 23.852 -0.654 1.00 31.00 N ATOM 2 CA MET A 1 -5.274 23.094 -0.654 1.00 73.12 C ATOM 3 C MET A 1 -5.542 21.584 -0.450 1.00 45.45 C ATOM 4 O MET A 1 -6.327 21.200 0.424 1.00 43.11 O ATOM 5 CB MET A 1 -4.333 23.639 0.456 1.00 62.02 C ATOM 6 CG MET A 1 -2.934 22.998 0.476 1.00 71.13 C ATOM 7 SD MET A 1 -2.061 23.226 -1.088 1.00 64.32 S ATOM 8 CE MET A 1 -0.488 22.433 -0.750 1.00 21.13 C ATOM 0 H1 MET A 1 -6.362 24.864 -0.792 1.00 31.00 H new ATOM 0 H2 MET A 1 -7.163 23.508 -1.426 1.00 31.00 H new ATOM 0 H3 MET A 1 -7.042 23.714 0.256 1.00 31.00 H new ATOM 0 HA MET A 1 -4.785 23.227 -1.619 1.00 73.12 H new ATOM 0 HB2 MET A 1 -4.224 24.716 0.326 1.00 62.02 H new ATOM 0 HB3 MET A 1 -4.805 23.481 1.426 1.00 62.02 H new ATOM 0 HG2 MET A 1 -2.348 23.434 1.285 1.00 71.13 H new ATOM 0 HG3 MET A 1 -3.027 21.933 0.687 1.00 71.13 H new ATOM 0 HE1 MET A 1 0.150 22.500 -1.631 1.00 21.13 H new ATOM 0 HE2 MET A 1 -0.002 22.932 0.089 1.00 21.13 H new ATOM 0 HE3 MET A 1 -0.655 21.385 -0.502 1.00 21.13 H new ATOM 20 N ASP A 2 -4.877 20.730 -1.246 1.00 11.31 N ATOM 21 CA ASP A 2 -5.079 19.264 -1.215 1.00 50.32 C ATOM 22 C ASP A 2 -3.985 18.564 -0.378 1.00 4.21 C ATOM 23 O ASP A 2 -2.926 19.141 -0.085 1.00 35.12 O ATOM 24 CB ASP A 2 -5.104 18.709 -2.658 1.00 42.54 C ATOM 25 CG ASP A 2 -6.313 19.216 -3.461 1.00 14.53 C ATOM 26 OD1 ASP A 2 -6.278 20.366 -3.952 1.00 4.42 O ATOM 27 OD2 ASP A 2 -7.307 18.472 -3.605 1.00 14.40 O ATOM 0 H ASP A 2 -4.184 21.032 -1.930 1.00 11.31 H new ATOM 0 HA ASP A 2 -6.037 19.058 -0.738 1.00 50.32 H new ATOM 0 HB2 ASP A 2 -4.185 18.995 -3.170 1.00 42.54 H new ATOM 0 HB3 ASP A 2 -5.124 17.620 -2.625 1.00 42.54 H new ATOM 32 N GLU A 3 -4.266 17.312 0.003 1.00 34.41 N ATOM 33 CA GLU A 3 -3.376 16.488 0.840 1.00 10.31 C ATOM 34 C GLU A 3 -2.795 15.300 0.038 1.00 15.25 C ATOM 35 O GLU A 3 -3.454 14.749 -0.851 1.00 75.24 O ATOM 36 CB GLU A 3 -4.155 15.986 2.084 1.00 53.34 C ATOM 37 CG GLU A 3 -3.283 15.264 3.131 1.00 73.05 C ATOM 38 CD GLU A 3 -2.120 16.136 3.646 1.00 1.53 C ATOM 39 OE1 GLU A 3 -2.368 17.076 4.436 1.00 13.40 O ATOM 40 OE2 GLU A 3 -0.957 15.912 3.222 1.00 74.00 O ATOM 0 H GLU A 3 -5.127 16.834 -0.263 1.00 34.41 H new ATOM 0 HA GLU A 3 -2.536 17.101 1.167 1.00 10.31 H new ATOM 0 HB2 GLU A 3 -4.644 16.836 2.560 1.00 53.34 H new ATOM 0 HB3 GLU A 3 -4.943 15.308 1.755 1.00 53.34 H new ATOM 0 HG2 GLU A 3 -3.907 14.965 3.973 1.00 73.05 H new ATOM 0 HG3 GLU A 3 -2.880 14.351 2.693 1.00 73.05 H new ATOM 47 N ASP A 4 -1.545 14.918 0.366 1.00 62.55 N ATOM 48 CA ASP A 4 -0.837 13.790 -0.265 1.00 20.41 C ATOM 49 C ASP A 4 -0.706 12.620 0.746 1.00 25.33 C ATOM 50 O ASP A 4 -0.168 12.798 1.847 1.00 71.20 O ATOM 51 CB ASP A 4 0.550 14.287 -0.759 1.00 71.34 C ATOM 52 CG ASP A 4 1.213 13.360 -1.785 1.00 34.21 C ATOM 53 OD1 ASP A 4 0.493 12.761 -2.613 1.00 23.11 O ATOM 54 OD2 ASP A 4 2.460 13.257 -1.803 1.00 0.11 O ATOM 0 H ASP A 4 -0.994 15.389 1.084 1.00 62.55 H new ATOM 0 HA ASP A 4 -1.396 13.417 -1.123 1.00 20.41 H new ATOM 0 HB2 ASP A 4 0.434 15.277 -1.200 1.00 71.34 H new ATOM 0 HB3 ASP A 4 1.213 14.396 0.099 1.00 71.34 H new ATOM 59 N ALA A 5 -1.189 11.432 0.350 1.00 41.45 N ATOM 60 CA ALA A 5 -1.236 10.218 1.201 1.00 0.11 C ATOM 61 C ALA A 5 -0.181 9.191 0.730 1.00 14.15 C ATOM 62 O ALA A 5 -0.042 8.954 -0.474 1.00 21.51 O ATOM 63 CB ALA A 5 -2.647 9.602 1.171 1.00 44.31 C ATOM 0 H ALA A 5 -1.566 11.279 -0.585 1.00 41.45 H new ATOM 0 HA ALA A 5 -1.005 10.499 2.228 1.00 0.11 H new ATOM 0 HB1 ALA A 5 -2.669 8.712 1.799 1.00 44.31 H new ATOM 0 HB2 ALA A 5 -3.369 10.328 1.545 1.00 44.31 H new ATOM 0 HB3 ALA A 5 -2.903 9.330 0.147 1.00 44.31 H new ATOM 69 N THR A 6 0.520 8.549 1.686 1.00 64.22 N ATOM 70 CA THR A 6 1.712 7.706 1.403 1.00 54.22 C ATOM 71 C THR A 6 1.357 6.203 1.313 1.00 73.33 C ATOM 72 O THR A 6 0.558 5.692 2.092 1.00 1.42 O ATOM 73 CB THR A 6 2.812 7.910 2.501 1.00 0.35 C ATOM 74 OG1 THR A 6 2.295 7.561 3.801 1.00 43.31 O ATOM 75 CG2 THR A 6 3.325 9.365 2.534 1.00 65.13 C ATOM 0 H THR A 6 0.281 8.597 2.676 1.00 64.22 H new ATOM 0 HA THR A 6 2.095 8.026 0.434 1.00 54.22 H new ATOM 0 HB THR A 6 3.646 7.256 2.246 1.00 0.35 H new ATOM 0 HG1 THR A 6 2.993 7.692 4.476 1.00 43.31 H new ATOM 0 HG21 THR A 6 4.086 9.465 3.308 1.00 65.13 H new ATOM 0 HG22 THR A 6 3.756 9.621 1.566 1.00 65.13 H new ATOM 0 HG23 THR A 6 2.496 10.038 2.751 1.00 65.13 H new ATOM 83 N ILE A 7 1.970 5.516 0.329 1.00 71.43 N ATOM 84 CA ILE A 7 1.788 4.065 0.063 1.00 44.13 C ATOM 85 C ILE A 7 3.180 3.395 -0.021 1.00 14.15 C ATOM 86 O ILE A 7 3.928 3.638 -0.978 1.00 41.32 O ATOM 87 CB ILE A 7 1.033 3.810 -1.305 1.00 20.22 C ATOM 88 CG1 ILE A 7 -0.229 4.722 -1.449 1.00 35.35 C ATOM 89 CG2 ILE A 7 0.662 2.307 -1.458 1.00 14.23 C ATOM 90 CD1 ILE A 7 -0.801 4.772 -2.854 1.00 43.35 C ATOM 0 H ILE A 7 2.621 5.959 -0.320 1.00 71.43 H new ATOM 0 HA ILE A 7 1.191 3.646 0.873 1.00 44.13 H new ATOM 0 HB ILE A 7 1.715 4.076 -2.113 1.00 20.22 H new ATOM 0 HG12 ILE A 7 -1.001 4.366 -0.767 1.00 35.35 H new ATOM 0 HG13 ILE A 7 0.030 5.734 -1.138 1.00 35.35 H new ATOM 0 HG21 ILE A 7 0.144 2.155 -2.405 1.00 14.23 H new ATOM 0 HG22 ILE A 7 1.570 1.704 -1.440 1.00 14.23 H new ATOM 0 HG23 ILE A 7 0.011 2.007 -0.636 1.00 14.23 H new ATOM 0 HD11 ILE A 7 -1.673 5.425 -2.869 1.00 43.35 H new ATOM 0 HD12 ILE A 7 -0.047 5.158 -3.540 1.00 43.35 H new ATOM 0 HD13 ILE A 7 -1.094 3.769 -3.164 1.00 43.35 H new ATOM 102 N THR A 8 3.532 2.560 0.960 1.00 53.12 N ATOM 103 CA THR A 8 4.875 1.951 1.049 1.00 31.14 C ATOM 104 C THR A 8 4.794 0.412 0.948 1.00 32.01 C ATOM 105 O THR A 8 4.309 -0.253 1.870 1.00 65.30 O ATOM 106 CB THR A 8 5.584 2.355 2.391 1.00 21.43 C ATOM 107 OG1 THR A 8 5.553 3.788 2.551 1.00 13.54 O ATOM 108 CG2 THR A 8 7.050 1.870 2.445 1.00 4.05 C ATOM 0 H THR A 8 2.903 2.284 1.714 1.00 53.12 H new ATOM 0 HA THR A 8 5.462 2.327 0.211 1.00 31.14 H new ATOM 0 HB THR A 8 5.039 1.871 3.202 1.00 21.43 H new ATOM 0 HG1 THR A 8 5.995 4.033 3.391 1.00 13.54 H new ATOM 0 HG21 THR A 8 7.499 2.173 3.391 1.00 4.05 H new ATOM 0 HG22 THR A 8 7.077 0.784 2.362 1.00 4.05 H new ATOM 0 HG23 THR A 8 7.610 2.311 1.620 1.00 4.05 H new ATOM 116 N TYR A 9 5.266 -0.148 -0.183 1.00 61.33 N ATOM 117 CA TYR A 9 5.498 -1.605 -0.318 1.00 53.44 C ATOM 118 C TYR A 9 6.750 -1.985 0.499 1.00 43.02 C ATOM 119 O TYR A 9 7.755 -1.289 0.420 1.00 33.23 O ATOM 120 CB TYR A 9 5.701 -2.009 -1.807 1.00 31.30 C ATOM 121 CG TYR A 9 4.428 -1.951 -2.680 1.00 41.11 C ATOM 122 CD1 TYR A 9 3.811 -0.732 -2.991 1.00 50.13 C ATOM 123 CD2 TYR A 9 3.844 -3.121 -3.191 1.00 13.10 C ATOM 124 CE1 TYR A 9 2.673 -0.684 -3.772 1.00 40.41 C ATOM 125 CE2 TYR A 9 2.705 -3.072 -3.976 1.00 51.13 C ATOM 126 CZ TYR A 9 2.125 -1.852 -4.263 1.00 54.32 C ATOM 127 OH TYR A 9 0.995 -1.801 -5.049 1.00 24.14 O ATOM 0 H TYR A 9 5.496 0.387 -1.021 1.00 61.33 H new ATOM 0 HA TYR A 9 4.623 -2.137 0.056 1.00 53.44 H new ATOM 0 HB2 TYR A 9 6.454 -1.354 -2.246 1.00 31.30 H new ATOM 0 HB3 TYR A 9 6.101 -3.022 -1.841 1.00 31.30 H new ATOM 0 HD1 TYR A 9 4.233 0.187 -2.613 1.00 50.13 H new ATOM 0 HD2 TYR A 9 4.292 -4.078 -2.967 1.00 13.10 H new ATOM 0 HE1 TYR A 9 2.212 0.266 -3.998 1.00 40.41 H new ATOM 0 HE2 TYR A 9 2.272 -3.983 -4.362 1.00 51.13 H new ATOM 0 HH TYR A 9 0.774 -0.866 -5.243 1.00 24.14 H new ATOM 137 N VAL A 10 6.667 -3.056 1.298 1.00 1.22 N ATOM 138 CA VAL A 10 7.774 -3.534 2.164 1.00 35.33 C ATOM 139 C VAL A 10 7.944 -5.058 2.021 1.00 3.23 C ATOM 140 O VAL A 10 7.066 -5.748 1.489 1.00 72.43 O ATOM 141 CB VAL A 10 7.543 -3.179 3.689 1.00 3.44 C ATOM 142 CG1 VAL A 10 7.453 -1.651 3.920 1.00 70.41 C ATOM 143 CG2 VAL A 10 6.301 -3.910 4.266 1.00 34.35 C ATOM 0 H VAL A 10 5.825 -3.627 1.369 1.00 1.22 H new ATOM 0 HA VAL A 10 8.677 -3.022 1.832 1.00 35.33 H new ATOM 0 HB VAL A 10 8.417 -3.537 4.232 1.00 3.44 H new ATOM 0 HG11 VAL A 10 7.294 -1.452 4.980 1.00 70.41 H new ATOM 0 HG12 VAL A 10 8.381 -1.179 3.597 1.00 70.41 H new ATOM 0 HG13 VAL A 10 6.620 -1.245 3.346 1.00 70.41 H new ATOM 0 HG21 VAL A 10 6.175 -3.641 5.315 1.00 34.35 H new ATOM 0 HG22 VAL A 10 5.413 -3.615 3.707 1.00 34.35 H new ATOM 0 HG23 VAL A 10 6.442 -4.988 4.182 1.00 34.35 H new ATOM 153 N ASP A 11 9.079 -5.576 2.518 1.00 44.50 N ATOM 154 CA ASP A 11 9.366 -7.016 2.546 1.00 62.30 C ATOM 155 C ASP A 11 9.744 -7.439 3.980 1.00 62.15 C ATOM 156 O ASP A 11 10.768 -6.998 4.517 1.00 54.13 O ATOM 157 CB ASP A 11 10.504 -7.354 1.560 1.00 52.42 C ATOM 158 CG ASP A 11 10.689 -8.866 1.398 1.00 21.54 C ATOM 159 OD1 ASP A 11 10.038 -9.458 0.520 1.00 20.35 O ATOM 160 OD2 ASP A 11 11.466 -9.469 2.167 1.00 73.12 O ATOM 0 H ASP A 11 9.825 -5.004 2.913 1.00 44.50 H new ATOM 0 HA ASP A 11 8.477 -7.566 2.239 1.00 62.30 H new ATOM 0 HB2 ASP A 11 10.287 -6.909 0.589 1.00 52.42 H new ATOM 0 HB3 ASP A 11 11.435 -6.910 1.914 1.00 52.42 H new ATOM 165 N ASP A 12 8.903 -8.294 4.581 1.00 23.34 N ATOM 166 CA ASP A 12 9.059 -8.785 5.960 1.00 53.23 C ATOM 167 C ASP A 12 10.303 -9.700 6.144 1.00 24.42 C ATOM 168 O ASP A 12 10.852 -9.775 7.246 1.00 34.12 O ATOM 169 CB ASP A 12 7.765 -9.504 6.406 1.00 5.34 C ATOM 170 CG ASP A 12 6.501 -8.645 6.207 1.00 54.52 C ATOM 171 OD1 ASP A 12 6.452 -7.509 6.729 1.00 0.21 O ATOM 172 OD2 ASP A 12 5.544 -9.107 5.545 1.00 11.54 O ATOM 0 H ASP A 12 8.079 -8.671 4.113 1.00 23.34 H new ATOM 0 HA ASP A 12 9.231 -7.918 6.598 1.00 53.23 H new ATOM 0 HB2 ASP A 12 7.659 -10.432 5.844 1.00 5.34 H new ATOM 0 HB3 ASP A 12 7.851 -9.776 7.458 1.00 5.34 H new ATOM 177 N ASP A 13 10.764 -10.381 5.064 1.00 45.15 N ATOM 178 CA ASP A 13 12.027 -11.183 5.106 1.00 41.41 C ATOM 179 C ASP A 13 13.279 -10.263 5.039 1.00 2.31 C ATOM 180 O ASP A 13 14.411 -10.722 5.219 1.00 30.15 O ATOM 181 CB ASP A 13 12.062 -12.256 3.976 1.00 42.33 C ATOM 182 CG ASP A 13 11.191 -13.488 4.280 1.00 22.10 C ATOM 183 OD1 ASP A 13 11.433 -14.145 5.315 1.00 51.43 O ATOM 184 OD2 ASP A 13 10.277 -13.814 3.498 1.00 60.23 O ATOM 0 H ASP A 13 10.291 -10.395 4.161 1.00 45.15 H new ATOM 0 HA ASP A 13 12.047 -11.709 6.060 1.00 41.41 H new ATOM 0 HB2 ASP A 13 11.726 -11.803 3.044 1.00 42.33 H new ATOM 0 HB3 ASP A 13 13.092 -12.577 3.821 1.00 42.33 H new ATOM 189 N LYS A 14 13.056 -8.960 4.778 1.00 31.41 N ATOM 190 CA LYS A 14 14.079 -7.900 4.910 1.00 1.12 C ATOM 191 C LYS A 14 13.806 -7.046 6.177 1.00 11.24 C ATOM 192 O LYS A 14 14.323 -5.933 6.308 1.00 3.21 O ATOM 193 CB LYS A 14 14.082 -7.003 3.632 1.00 14.24 C ATOM 194 CG LYS A 14 14.515 -7.676 2.301 1.00 51.32 C ATOM 195 CD LYS A 14 16.037 -8.038 2.225 1.00 32.21 C ATOM 196 CE LYS A 14 16.396 -9.407 2.837 1.00 22.32 C ATOM 197 NZ LYS A 14 17.860 -9.680 2.783 1.00 42.44 N ATOM 0 H LYS A 14 12.151 -8.608 4.466 1.00 31.41 H new ATOM 0 HA LYS A 14 15.060 -8.363 5.014 1.00 1.12 H new ATOM 0 HB2 LYS A 14 13.078 -6.601 3.498 1.00 14.24 H new ATOM 0 HB3 LYS A 14 14.743 -6.156 3.814 1.00 14.24 H new ATOM 0 HG2 LYS A 14 13.930 -8.585 2.160 1.00 51.32 H new ATOM 0 HG3 LYS A 14 14.271 -7.009 1.474 1.00 51.32 H new ATOM 0 HD2 LYS A 14 16.349 -8.027 1.181 1.00 32.21 H new ATOM 0 HD3 LYS A 14 16.608 -7.264 2.737 1.00 32.21 H new ATOM 0 HE2 LYS A 14 16.060 -9.439 3.873 1.00 22.32 H new ATOM 0 HE3 LYS A 14 15.861 -10.193 2.304 1.00 22.32 H new ATOM 0 HZ1 LYS A 14 18.055 -10.610 3.205 1.00 42.44 H new ATOM 0 HZ2 LYS A 14 18.178 -9.675 1.793 1.00 42.44 H new ATOM 0 HZ3 LYS A 14 18.370 -8.945 3.314 1.00 42.44 H new ATOM 211 N GLY A 15 13.001 -7.595 7.118 1.00 60.34 N ATOM 212 CA GLY A 15 12.628 -6.902 8.365 1.00 32.14 C ATOM 213 C GLY A 15 11.675 -5.720 8.164 1.00 33.31 C ATOM 214 O GLY A 15 11.705 -4.751 8.930 1.00 34.20 O ATOM 0 H GLY A 15 12.596 -8.527 7.030 1.00 60.34 H new ATOM 0 HA2 GLY A 15 12.162 -7.619 9.041 1.00 32.14 H new ATOM 0 HA3 GLY A 15 13.534 -6.545 8.854 1.00 32.14 H new ATOM 218 N GLY A 16 10.821 -5.815 7.128 1.00 15.23 N ATOM 219 CA GLY A 16 9.878 -4.744 6.769 1.00 24.13 C ATOM 220 C GLY A 16 10.537 -3.578 6.016 1.00 21.14 C ATOM 221 O GLY A 16 10.093 -2.434 6.135 1.00 63.12 O ATOM 0 H GLY A 16 10.767 -6.632 6.520 1.00 15.23 H new ATOM 0 HA2 GLY A 16 9.083 -5.162 6.152 1.00 24.13 H new ATOM 0 HA3 GLY A 16 9.410 -4.363 7.677 1.00 24.13 H new ATOM 225 N ALA A 17 11.599 -3.876 5.229 1.00 21.42 N ATOM 226 CA ALA A 17 12.329 -2.863 4.415 1.00 4.20 C ATOM 227 C ALA A 17 11.624 -2.634 3.057 1.00 63.31 C ATOM 228 O ALA A 17 11.188 -3.595 2.420 1.00 50.45 O ATOM 229 CB ALA A 17 13.788 -3.306 4.202 1.00 31.51 C ATOM 0 H ALA A 17 11.975 -4.820 5.138 1.00 21.42 H new ATOM 0 HA ALA A 17 12.326 -1.918 4.957 1.00 4.20 H new ATOM 0 HB1 ALA A 17 14.312 -2.559 3.606 1.00 31.51 H new ATOM 0 HB2 ALA A 17 14.281 -3.411 5.168 1.00 31.51 H new ATOM 0 HB3 ALA A 17 13.805 -4.263 3.680 1.00 31.51 H new ATOM 235 N GLN A 18 11.561 -1.363 2.603 1.00 4.53 N ATOM 236 CA GLN A 18 10.728 -0.970 1.439 1.00 23.13 C ATOM 237 C GLN A 18 11.256 -1.536 0.087 1.00 52.44 C ATOM 238 O GLN A 18 12.462 -1.596 -0.155 1.00 32.32 O ATOM 239 CB GLN A 18 10.552 0.575 1.361 1.00 24.41 C ATOM 240 CG GLN A 18 11.849 1.396 1.189 1.00 33.43 C ATOM 241 CD GLN A 18 11.583 2.904 1.055 1.00 74.22 C ATOM 242 OE1 GLN A 18 11.538 3.633 2.042 1.00 31.31 O ATOM 243 NE2 GLN A 18 11.387 3.375 -0.166 1.00 21.31 N ATOM 0 H GLN A 18 12.076 -0.590 3.023 1.00 4.53 H new ATOM 0 HA GLN A 18 9.750 -1.422 1.605 1.00 23.13 H new ATOM 0 HB2 GLN A 18 9.888 0.804 0.528 1.00 24.41 H new ATOM 0 HB3 GLN A 18 10.051 0.910 2.269 1.00 24.41 H new ATOM 0 HG2 GLN A 18 12.501 1.221 2.045 1.00 33.43 H new ATOM 0 HG3 GLN A 18 12.382 1.045 0.305 1.00 33.43 H new ATOM 0 HE21 GLN A 18 11.430 2.746 -0.968 1.00 21.31 H new ATOM 0 HE22 GLN A 18 11.193 4.367 -0.305 1.00 21.31 H new ATOM 252 N VAL A 19 10.315 -1.957 -0.777 1.00 14.24 N ATOM 253 CA VAL A 19 10.602 -2.501 -2.122 1.00 73.04 C ATOM 254 C VAL A 19 10.290 -1.416 -3.176 1.00 54.02 C ATOM 255 O VAL A 19 9.117 -1.078 -3.395 1.00 13.40 O ATOM 256 CB VAL A 19 9.753 -3.803 -2.410 1.00 32.22 C ATOM 257 CG1 VAL A 19 10.098 -4.421 -3.793 1.00 4.22 C ATOM 258 CG2 VAL A 19 9.937 -4.838 -1.273 1.00 41.24 C ATOM 0 H VAL A 19 9.319 -1.930 -0.560 1.00 14.24 H new ATOM 0 HA VAL A 19 11.655 -2.779 -2.173 1.00 73.04 H new ATOM 0 HB VAL A 19 8.703 -3.513 -2.441 1.00 32.22 H new ATOM 0 HG11 VAL A 19 9.494 -5.314 -3.954 1.00 4.22 H new ATOM 0 HG12 VAL A 19 9.888 -3.695 -4.578 1.00 4.22 H new ATOM 0 HG13 VAL A 19 11.154 -4.688 -3.819 1.00 4.22 H new ATOM 0 HG21 VAL A 19 9.344 -5.727 -1.490 1.00 41.24 H new ATOM 0 HG22 VAL A 19 10.989 -5.113 -1.198 1.00 41.24 H new ATOM 0 HG23 VAL A 19 9.607 -4.404 -0.329 1.00 41.24 H new ATOM 268 N GLY A 20 11.349 -0.868 -3.809 1.00 42.42 N ATOM 269 CA GLY A 20 11.213 0.269 -4.730 1.00 2.43 C ATOM 270 C GLY A 20 11.032 1.611 -4.009 1.00 11.34 C ATOM 271 O GLY A 20 11.438 1.767 -2.847 1.00 0.50 O ATOM 0 H GLY A 20 12.307 -1.199 -3.695 1.00 42.42 H new ATOM 0 HA2 GLY A 20 12.097 0.321 -5.366 1.00 2.43 H new ATOM 0 HA3 GLY A 20 10.359 0.098 -5.385 1.00 2.43 H new ATOM 275 N ASP A 21 10.439 2.589 -4.710 1.00 14.53 N ATOM 276 CA ASP A 21 10.147 3.928 -4.145 1.00 2.54 C ATOM 277 C ASP A 21 8.703 3.975 -3.589 1.00 73.33 C ATOM 278 O ASP A 21 7.832 3.211 -4.027 1.00 74.04 O ATOM 279 CB ASP A 21 10.350 5.023 -5.221 1.00 1.33 C ATOM 280 CG ASP A 21 11.810 5.120 -5.699 1.00 21.43 C ATOM 281 OD1 ASP A 21 12.204 4.363 -6.613 1.00 51.21 O ATOM 282 OD2 ASP A 21 12.576 5.946 -5.155 1.00 21.21 O ATOM 0 H ASP A 21 10.147 2.481 -5.681 1.00 14.53 H new ATOM 0 HA ASP A 21 10.839 4.118 -3.325 1.00 2.54 H new ATOM 0 HB2 ASP A 21 9.705 4.812 -6.074 1.00 1.33 H new ATOM 0 HB3 ASP A 21 10.039 5.986 -4.817 1.00 1.33 H new ATOM 287 N ILE A 22 8.465 4.876 -2.621 1.00 51.41 N ATOM 288 CA ILE A 22 7.125 5.099 -2.033 1.00 24.12 C ATOM 289 C ILE A 22 6.188 5.787 -3.067 1.00 50.11 C ATOM 290 O ILE A 22 6.547 6.803 -3.665 1.00 64.53 O ATOM 291 CB ILE A 22 7.217 5.963 -0.710 1.00 23.11 C ATOM 292 CG1 ILE A 22 8.112 5.239 0.355 1.00 13.55 C ATOM 293 CG2 ILE A 22 5.806 6.294 -0.125 1.00 24.55 C ATOM 294 CD1 ILE A 22 8.330 6.009 1.651 1.00 51.31 C ATOM 0 H ILE A 22 9.191 5.471 -2.222 1.00 51.41 H new ATOM 0 HA ILE A 22 6.706 4.127 -1.771 1.00 24.12 H new ATOM 0 HB ILE A 22 7.683 6.913 -0.970 1.00 23.11 H new ATOM 0 HG12 ILE A 22 7.658 4.278 0.594 1.00 13.55 H new ATOM 0 HG13 ILE A 22 9.084 5.030 -0.092 1.00 13.55 H new ATOM 0 HG21 ILE A 22 5.918 6.888 0.782 1.00 24.55 H new ATOM 0 HG22 ILE A 22 5.231 6.858 -0.859 1.00 24.55 H new ATOM 0 HG23 ILE A 22 5.283 5.367 0.111 1.00 24.55 H new ATOM 0 HD11 ILE A 22 8.961 5.424 2.320 1.00 51.31 H new ATOM 0 HD12 ILE A 22 8.817 6.959 1.432 1.00 51.31 H new ATOM 0 HD13 ILE A 22 7.369 6.195 2.130 1.00 51.31 H new ATOM 306 N VAL A 23 4.983 5.224 -3.246 1.00 41.14 N ATOM 307 CA VAL A 23 3.955 5.751 -4.164 1.00 32.10 C ATOM 308 C VAL A 23 3.022 6.675 -3.358 1.00 21.01 C ATOM 309 O VAL A 23 2.724 6.382 -2.208 1.00 14.33 O ATOM 310 CB VAL A 23 3.127 4.565 -4.804 1.00 3.41 C ATOM 311 CG1 VAL A 23 2.002 5.074 -5.740 1.00 64.14 C ATOM 312 CG2 VAL A 23 4.060 3.565 -5.542 1.00 24.51 C ATOM 0 H VAL A 23 4.689 4.381 -2.753 1.00 41.14 H new ATOM 0 HA VAL A 23 4.428 6.306 -4.974 1.00 32.10 H new ATOM 0 HB VAL A 23 2.643 4.036 -3.983 1.00 3.41 H new ATOM 0 HG11 VAL A 23 1.462 4.223 -6.155 1.00 64.14 H new ATOM 0 HG12 VAL A 23 1.313 5.700 -5.173 1.00 64.14 H new ATOM 0 HG13 VAL A 23 2.439 5.657 -6.551 1.00 64.14 H new ATOM 0 HG21 VAL A 23 3.464 2.760 -5.972 1.00 24.51 H new ATOM 0 HG22 VAL A 23 4.595 4.085 -6.337 1.00 24.51 H new ATOM 0 HG23 VAL A 23 4.777 3.147 -4.835 1.00 24.51 H new ATOM 322 N THR A 24 2.589 7.805 -3.930 1.00 11.33 N ATOM 323 CA THR A 24 1.652 8.727 -3.232 1.00 52.13 C ATOM 324 C THR A 24 0.470 9.141 -4.132 1.00 14.31 C ATOM 325 O THR A 24 0.608 9.284 -5.355 1.00 55.14 O ATOM 326 CB THR A 24 2.364 10.014 -2.681 1.00 1.41 C ATOM 327 OG1 THR A 24 3.044 10.713 -3.730 1.00 14.21 O ATOM 328 CG2 THR A 24 3.349 9.729 -1.531 1.00 32.55 C ATOM 0 H THR A 24 2.862 8.111 -4.864 1.00 11.33 H new ATOM 0 HA THR A 24 1.269 8.160 -2.383 1.00 52.13 H new ATOM 0 HB THR A 24 1.567 10.637 -2.275 1.00 1.41 H new ATOM 0 HG1 THR A 24 3.478 11.511 -3.363 1.00 14.21 H new ATOM 0 HG21 THR A 24 3.803 10.663 -1.201 1.00 32.55 H new ATOM 0 HG22 THR A 24 2.814 9.272 -0.699 1.00 32.55 H new ATOM 0 HG23 THR A 24 4.128 9.050 -1.879 1.00 32.55 H new ATOM 336 N VAL A 25 -0.698 9.322 -3.497 1.00 75.23 N ATOM 337 CA VAL A 25 -1.947 9.778 -4.152 1.00 72.44 C ATOM 338 C VAL A 25 -2.377 11.153 -3.574 1.00 41.12 C ATOM 339 O VAL A 25 -2.290 11.377 -2.369 1.00 21.24 O ATOM 340 CB VAL A 25 -3.101 8.703 -3.982 1.00 2.15 C ATOM 341 CG1 VAL A 25 -2.846 7.457 -4.874 1.00 23.24 C ATOM 342 CG2 VAL A 25 -3.267 8.284 -2.493 1.00 53.20 C ATOM 0 H VAL A 25 -0.810 9.154 -2.497 1.00 75.23 H new ATOM 0 HA VAL A 25 -1.759 9.893 -5.220 1.00 72.44 H new ATOM 0 HB VAL A 25 -4.031 9.169 -4.309 1.00 2.15 H new ATOM 0 HG11 VAL A 25 -3.654 6.739 -4.735 1.00 23.24 H new ATOM 0 HG12 VAL A 25 -2.806 7.760 -5.920 1.00 23.24 H new ATOM 0 HG13 VAL A 25 -1.899 6.996 -4.593 1.00 23.24 H new ATOM 0 HG21 VAL A 25 -4.065 7.547 -2.409 1.00 53.20 H new ATOM 0 HG22 VAL A 25 -2.334 7.852 -2.130 1.00 53.20 H new ATOM 0 HG23 VAL A 25 -3.518 9.160 -1.894 1.00 53.20 H new ATOM 352 N THR A 26 -2.835 12.080 -4.439 1.00 44.11 N ATOM 353 CA THR A 26 -3.213 13.458 -4.018 1.00 43.10 C ATOM 354 C THR A 26 -4.731 13.711 -4.184 1.00 70.24 C ATOM 355 O THR A 26 -5.343 13.267 -5.159 1.00 13.02 O ATOM 356 CB THR A 26 -2.403 14.541 -4.821 1.00 13.22 C ATOM 357 OG1 THR A 26 -0.992 14.266 -4.731 1.00 13.45 O ATOM 358 CG2 THR A 26 -2.659 15.975 -4.301 1.00 12.20 C ATOM 0 H THR A 26 -2.955 11.906 -5.437 1.00 44.11 H new ATOM 0 HA THR A 26 -2.964 13.544 -2.960 1.00 43.10 H new ATOM 0 HB THR A 26 -2.743 14.487 -5.855 1.00 13.22 H new ATOM 0 HG1 THR A 26 -0.810 13.751 -3.918 1.00 13.45 H new ATOM 0 HG21 THR A 26 -2.077 16.685 -4.889 1.00 12.20 H new ATOM 0 HG22 THR A 26 -3.719 16.212 -4.393 1.00 12.20 H new ATOM 0 HG23 THR A 26 -2.362 16.041 -3.254 1.00 12.20 H new ATOM 366 N GLY A 27 -5.313 14.416 -3.206 1.00 24.34 N ATOM 367 CA GLY A 27 -6.733 14.790 -3.204 1.00 62.20 C ATOM 368 C GLY A 27 -7.129 15.486 -1.902 1.00 54.32 C ATOM 369 O GLY A 27 -6.332 15.557 -0.968 1.00 65.22 O ATOM 0 H GLY A 27 -4.806 14.746 -2.385 1.00 24.34 H new ATOM 0 HA2 GLY A 27 -6.937 15.450 -4.047 1.00 62.20 H new ATOM 0 HA3 GLY A 27 -7.345 13.899 -3.342 1.00 62.20 H new ATOM 373 N LYS A 28 -8.373 15.972 -1.816 1.00 73.12 N ATOM 374 CA LYS A 28 -8.848 16.739 -0.650 1.00 42.01 C ATOM 375 C LYS A 28 -9.246 15.758 0.473 1.00 55.21 C ATOM 376 O LYS A 28 -9.584 14.606 0.194 1.00 40.41 O ATOM 377 CB LYS A 28 -10.045 17.639 -1.068 1.00 41.42 C ATOM 378 CG LYS A 28 -10.657 18.491 0.068 1.00 43.21 C ATOM 379 CD LYS A 28 -9.701 19.583 0.614 1.00 54.34 C ATOM 380 CE LYS A 28 -10.214 20.219 1.919 1.00 72.43 C ATOM 381 NZ LYS A 28 -11.575 20.793 1.773 1.00 1.42 N ATOM 0 H LYS A 28 -9.076 15.848 -2.544 1.00 73.12 H new ATOM 0 HA LYS A 28 -8.055 17.387 -0.277 1.00 42.01 H new ATOM 0 HB2 LYS A 28 -9.716 18.307 -1.864 1.00 41.42 H new ATOM 0 HB3 LYS A 28 -10.827 17.005 -1.486 1.00 41.42 H new ATOM 0 HG2 LYS A 28 -11.567 18.967 -0.297 1.00 43.21 H new ATOM 0 HG3 LYS A 28 -10.948 17.833 0.887 1.00 43.21 H new ATOM 0 HD2 LYS A 28 -8.718 19.146 0.789 1.00 54.34 H new ATOM 0 HD3 LYS A 28 -9.575 20.360 -0.140 1.00 54.34 H new ATOM 0 HE2 LYS A 28 -10.223 19.466 2.707 1.00 72.43 H new ATOM 0 HE3 LYS A 28 -9.524 21.002 2.234 1.00 72.43 H new ATOM 0 HZ1 LYS A 28 -11.718 21.534 2.489 1.00 1.42 H new ATOM 0 HZ2 LYS A 28 -11.678 21.204 0.823 1.00 1.42 H new ATOM 0 HZ3 LYS A 28 -12.284 20.043 1.904 1.00 1.42 H new ATOM 395 N THR A 29 -9.189 16.214 1.739 1.00 4.31 N ATOM 396 CA THR A 29 -9.571 15.401 2.920 1.00 12.43 C ATOM 397 C THR A 29 -11.011 14.818 2.841 1.00 25.32 C ATOM 398 O THR A 29 -11.294 13.759 3.418 1.00 12.40 O ATOM 399 CB THR A 29 -9.428 16.233 4.240 1.00 4.13 C ATOM 400 OG1 THR A 29 -10.207 17.442 4.133 1.00 33.11 O ATOM 401 CG2 THR A 29 -7.957 16.590 4.547 1.00 31.45 C ATOM 0 H THR A 29 -8.877 17.156 1.977 1.00 4.31 H new ATOM 0 HA THR A 29 -8.880 14.558 2.925 1.00 12.43 H new ATOM 0 HB THR A 29 -9.795 15.617 5.061 1.00 4.13 H new ATOM 0 HG1 THR A 29 -10.119 17.962 4.959 1.00 33.11 H new ATOM 0 HG21 THR A 29 -7.908 17.167 5.471 1.00 31.45 H new ATOM 0 HG22 THR A 29 -7.376 15.674 4.659 1.00 31.45 H new ATOM 0 HG23 THR A 29 -7.548 17.181 3.728 1.00 31.45 H new ATOM 409 N ASP A 30 -11.898 15.524 2.119 1.00 61.10 N ATOM 410 CA ASP A 30 -13.299 15.105 1.890 1.00 70.30 C ATOM 411 C ASP A 30 -13.419 13.914 0.899 1.00 33.53 C ATOM 412 O ASP A 30 -14.487 13.303 0.785 1.00 31.05 O ATOM 413 CB ASP A 30 -14.119 16.313 1.367 1.00 35.23 C ATOM 414 CG ASP A 30 -14.109 17.512 2.332 1.00 62.34 C ATOM 415 OD1 ASP A 30 -14.949 17.560 3.249 1.00 11.43 O ATOM 416 OD2 ASP A 30 -13.259 18.411 2.172 1.00 31.14 O ATOM 0 H ASP A 30 -11.664 16.411 1.672 1.00 61.10 H new ATOM 0 HA ASP A 30 -13.696 14.761 2.845 1.00 70.30 H new ATOM 0 HB2 ASP A 30 -13.718 16.627 0.403 1.00 35.23 H new ATOM 0 HB3 ASP A 30 -15.149 15.999 1.197 1.00 35.23 H new ATOM 421 N ASP A 31 -12.334 13.600 0.176 1.00 14.43 N ATOM 422 CA ASP A 31 -12.314 12.527 -0.844 1.00 72.21 C ATOM 423 C ASP A 31 -11.636 11.245 -0.317 1.00 31.23 C ATOM 424 O ASP A 31 -10.754 11.295 0.549 1.00 0.12 O ATOM 425 CB ASP A 31 -11.566 13.000 -2.117 1.00 41.01 C ATOM 426 CG ASP A 31 -12.162 14.264 -2.747 1.00 53.40 C ATOM 427 OD1 ASP A 31 -13.383 14.290 -3.012 1.00 14.35 O ATOM 428 OD2 ASP A 31 -11.409 15.228 -3.020 1.00 31.55 O ATOM 0 H ASP A 31 -11.440 14.081 0.278 1.00 14.43 H new ATOM 0 HA ASP A 31 -13.353 12.299 -1.083 1.00 72.21 H new ATOM 0 HB2 ASP A 31 -10.522 13.187 -1.866 1.00 41.01 H new ATOM 0 HB3 ASP A 31 -11.577 12.197 -2.854 1.00 41.01 H new ATOM 433 N SER A 32 -12.060 10.101 -0.872 1.00 53.44 N ATOM 434 CA SER A 32 -11.382 8.796 -0.712 1.00 22.42 C ATOM 435 C SER A 32 -11.091 8.216 -2.111 1.00 25.45 C ATOM 436 O SER A 32 -11.932 8.296 -3.017 1.00 40.45 O ATOM 437 CB SER A 32 -12.256 7.806 0.100 1.00 62.44 C ATOM 438 OG SER A 32 -13.507 7.564 -0.535 1.00 0.23 O ATOM 0 H SER A 32 -12.896 10.050 -1.454 1.00 53.44 H new ATOM 0 HA SER A 32 -10.452 8.944 -0.163 1.00 22.42 H new ATOM 0 HB2 SER A 32 -11.721 6.864 0.221 1.00 62.44 H new ATOM 0 HB3 SER A 32 -12.427 8.207 1.099 1.00 62.44 H new ATOM 0 HG SER A 32 -14.031 6.935 0.003 1.00 0.23 H new ATOM 444 N THR A 33 -9.906 7.626 -2.272 1.00 10.52 N ATOM 445 CA THR A 33 -9.450 7.027 -3.559 1.00 74.44 C ATOM 446 C THR A 33 -9.256 5.504 -3.416 1.00 2.22 C ATOM 447 O THR A 33 -9.131 4.996 -2.311 1.00 35.01 O ATOM 448 CB THR A 33 -8.110 7.678 -4.063 1.00 70.34 C ATOM 449 OG1 THR A 33 -7.776 7.180 -5.369 1.00 54.24 O ATOM 450 CG2 THR A 33 -6.923 7.418 -3.109 1.00 61.21 C ATOM 0 H THR A 33 -9.222 7.542 -1.520 1.00 10.52 H new ATOM 0 HA THR A 33 -10.229 7.226 -4.295 1.00 74.44 H new ATOM 0 HB THR A 33 -8.282 8.754 -4.097 1.00 70.34 H new ATOM 0 HG1 THR A 33 -6.941 7.593 -5.673 1.00 54.24 H new ATOM 0 HG21 THR A 33 -6.025 7.891 -3.508 1.00 61.21 H new ATOM 0 HG22 THR A 33 -7.147 7.835 -2.127 1.00 61.21 H new ATOM 0 HG23 THR A 33 -6.758 6.344 -3.018 1.00 61.21 H new ATOM 458 N THR A 34 -9.240 4.780 -4.546 1.00 63.33 N ATOM 459 CA THR A 34 -8.946 3.326 -4.574 1.00 55.41 C ATOM 460 C THR A 34 -7.626 3.078 -5.336 1.00 3.23 C ATOM 461 O THR A 34 -7.470 3.512 -6.483 1.00 12.34 O ATOM 462 CB THR A 34 -10.106 2.512 -5.243 1.00 2.34 C ATOM 463 OG1 THR A 34 -11.347 2.794 -4.575 1.00 62.12 O ATOM 464 CG2 THR A 34 -9.848 0.992 -5.210 1.00 20.12 C ATOM 0 H THR A 34 -9.429 5.178 -5.466 1.00 63.33 H new ATOM 0 HA THR A 34 -8.850 2.983 -3.544 1.00 55.41 H new ATOM 0 HB THR A 34 -10.156 2.821 -6.287 1.00 2.34 H new ATOM 0 HG1 THR A 34 -12.069 2.284 -4.998 1.00 62.12 H new ATOM 0 HG21 THR A 34 -10.679 0.471 -5.685 1.00 20.12 H new ATOM 0 HG22 THR A 34 -8.926 0.768 -5.746 1.00 20.12 H new ATOM 0 HG23 THR A 34 -9.756 0.661 -4.176 1.00 20.12 H new ATOM 472 N TYR A 35 -6.685 2.383 -4.683 1.00 61.11 N ATOM 473 CA TYR A 35 -5.362 2.047 -5.247 1.00 13.33 C ATOM 474 C TYR A 35 -5.245 0.523 -5.475 1.00 45.21 C ATOM 475 O TYR A 35 -5.543 -0.257 -4.568 1.00 64.44 O ATOM 476 CB TYR A 35 -4.254 2.539 -4.280 1.00 23.53 C ATOM 477 CG TYR A 35 -2.829 2.147 -4.706 1.00 31.01 C ATOM 478 CD1 TYR A 35 -2.204 2.789 -5.782 1.00 54.03 C ATOM 479 CD2 TYR A 35 -2.121 1.128 -4.052 1.00 52.20 C ATOM 480 CE1 TYR A 35 -0.936 2.433 -6.186 1.00 22.22 C ATOM 481 CE2 TYR A 35 -0.853 0.772 -4.459 1.00 12.35 C ATOM 482 CZ TYR A 35 -0.262 1.430 -5.523 1.00 20.04 C ATOM 483 OH TYR A 35 1.003 1.074 -5.939 1.00 22.10 O ATOM 0 H TYR A 35 -6.819 2.032 -3.735 1.00 61.11 H new ATOM 0 HA TYR A 35 -5.243 2.543 -6.210 1.00 13.33 H new ATOM 0 HB2 TYR A 35 -4.312 3.625 -4.200 1.00 23.53 H new ATOM 0 HB3 TYR A 35 -4.449 2.135 -3.286 1.00 23.53 H new ATOM 0 HD1 TYR A 35 -2.725 3.577 -6.305 1.00 54.03 H new ATOM 0 HD2 TYR A 35 -2.576 0.615 -3.218 1.00 52.20 H new ATOM 0 HE1 TYR A 35 -0.471 2.938 -7.020 1.00 22.22 H new ATOM 0 HE2 TYR A 35 -0.322 -0.018 -3.949 1.00 12.35 H new ATOM 0 HH TYR A 35 1.450 1.854 -6.330 1.00 22.10 H new ATOM 493 N THR A 36 -4.789 0.109 -6.675 1.00 2.44 N ATOM 494 CA THR A 36 -4.552 -1.315 -6.995 1.00 42.50 C ATOM 495 C THR A 36 -3.151 -1.758 -6.509 1.00 64.42 C ATOM 496 O THR A 36 -2.126 -1.230 -6.964 1.00 51.33 O ATOM 497 CB THR A 36 -4.688 -1.602 -8.530 1.00 65.12 C ATOM 498 OG1 THR A 36 -5.981 -1.175 -8.997 1.00 32.12 O ATOM 499 CG2 THR A 36 -4.498 -3.101 -8.863 1.00 44.44 C ATOM 0 H THR A 36 -4.576 0.745 -7.443 1.00 2.44 H new ATOM 0 HA THR A 36 -5.317 -1.889 -6.473 1.00 42.50 H new ATOM 0 HB THR A 36 -3.900 -1.042 -9.033 1.00 65.12 H new ATOM 0 HG1 THR A 36 -6.058 -1.356 -9.957 1.00 32.12 H new ATOM 0 HG21 THR A 36 -4.601 -3.251 -9.938 1.00 44.44 H new ATOM 0 HG22 THR A 36 -3.506 -3.421 -8.545 1.00 44.44 H new ATOM 0 HG23 THR A 36 -5.253 -3.688 -8.341 1.00 44.44 H new ATOM 507 N VAL A 37 -3.134 -2.717 -5.574 1.00 13.12 N ATOM 508 CA VAL A 37 -1.914 -3.364 -5.067 1.00 4.44 C ATOM 509 C VAL A 37 -1.383 -4.390 -6.104 1.00 61.03 C ATOM 510 O VAL A 37 -2.061 -5.381 -6.412 1.00 52.31 O ATOM 511 CB VAL A 37 -2.214 -4.092 -3.701 1.00 12.21 C ATOM 512 CG1 VAL A 37 -0.956 -4.785 -3.130 1.00 62.21 C ATOM 513 CG2 VAL A 37 -2.841 -3.111 -2.675 1.00 51.20 C ATOM 0 H VAL A 37 -3.985 -3.073 -5.139 1.00 13.12 H new ATOM 0 HA VAL A 37 -1.155 -2.599 -4.903 1.00 4.44 H new ATOM 0 HB VAL A 37 -2.944 -4.877 -3.901 1.00 12.21 H new ATOM 0 HG11 VAL A 37 -1.206 -5.275 -2.189 1.00 62.21 H new ATOM 0 HG12 VAL A 37 -0.596 -5.528 -3.841 1.00 62.21 H new ATOM 0 HG13 VAL A 37 -0.178 -4.041 -2.957 1.00 62.21 H new ATOM 0 HG21 VAL A 37 -3.038 -3.638 -1.741 1.00 51.20 H new ATOM 0 HG22 VAL A 37 -2.150 -2.289 -2.489 1.00 51.20 H new ATOM 0 HG23 VAL A 37 -3.776 -2.716 -3.073 1.00 51.20 H new ATOM 523 N THR A 38 -0.179 -4.138 -6.640 1.00 63.43 N ATOM 524 CA THR A 38 0.460 -4.999 -7.664 1.00 4.03 C ATOM 525 C THR A 38 1.554 -5.886 -7.026 1.00 61.51 C ATOM 526 O THR A 38 2.524 -5.376 -6.450 1.00 75.15 O ATOM 527 CB THR A 38 1.074 -4.139 -8.824 1.00 13.41 C ATOM 528 OG1 THR A 38 2.031 -3.195 -8.300 1.00 10.21 O ATOM 529 CG2 THR A 38 -0.025 -3.382 -9.605 1.00 55.01 C ATOM 0 H THR A 38 0.386 -3.330 -6.379 1.00 63.43 H new ATOM 0 HA THR A 38 -0.313 -5.642 -8.085 1.00 4.03 H new ATOM 0 HB THR A 38 1.577 -4.822 -9.509 1.00 13.41 H new ATOM 0 HG1 THR A 38 2.508 -3.598 -7.545 1.00 10.21 H new ATOM 0 HG21 THR A 38 0.433 -2.796 -10.402 1.00 55.01 H new ATOM 0 HG22 THR A 38 -0.723 -4.099 -10.037 1.00 55.01 H new ATOM 0 HG23 THR A 38 -0.561 -2.717 -8.927 1.00 55.01 H new ATOM 537 N ILE A 39 1.380 -7.217 -7.127 1.00 54.11 N ATOM 538 CA ILE A 39 2.293 -8.210 -6.510 1.00 44.21 C ATOM 539 C ILE A 39 3.437 -8.601 -7.499 1.00 11.14 C ATOM 540 O ILE A 39 3.149 -9.098 -8.592 1.00 71.33 O ATOM 541 CB ILE A 39 1.504 -9.504 -6.053 1.00 42.05 C ATOM 542 CG1 ILE A 39 0.257 -9.113 -5.189 1.00 72.31 C ATOM 543 CG2 ILE A 39 2.426 -10.496 -5.287 1.00 22.20 C ATOM 544 CD1 ILE A 39 0.562 -8.231 -3.981 1.00 22.33 C ATOM 0 H ILE A 39 0.604 -7.639 -7.637 1.00 54.11 H new ATOM 0 HA ILE A 39 2.736 -7.748 -5.628 1.00 44.21 H new ATOM 0 HB ILE A 39 1.153 -10.014 -6.950 1.00 42.05 H new ATOM 0 HG12 ILE A 39 -0.460 -8.596 -5.826 1.00 72.31 H new ATOM 0 HG13 ILE A 39 -0.226 -10.026 -4.841 1.00 72.31 H new ATOM 0 HG21 ILE A 39 1.850 -11.372 -4.989 1.00 22.20 H new ATOM 0 HG22 ILE A 39 3.246 -10.804 -5.935 1.00 22.20 H new ATOM 0 HG23 ILE A 39 2.828 -10.007 -4.400 1.00 22.20 H new ATOM 0 HD11 ILE A 39 -0.363 -8.014 -3.446 1.00 22.33 H new ATOM 0 HD12 ILE A 39 1.252 -8.750 -3.316 1.00 22.33 H new ATOM 0 HD13 ILE A 39 1.014 -7.298 -4.317 1.00 22.33 H new ATOM 556 N PRO A 40 4.748 -8.358 -7.146 1.00 41.24 N ATOM 557 CA PRO A 40 5.905 -8.755 -7.996 1.00 23.14 C ATOM 558 C PRO A 40 6.204 -10.277 -7.921 1.00 44.33 C ATOM 559 O PRO A 40 6.069 -10.890 -6.855 1.00 13.33 O ATOM 560 CB PRO A 40 7.096 -7.909 -7.422 1.00 62.23 C ATOM 561 CG PRO A 40 6.482 -6.991 -6.390 1.00 43.21 C ATOM 562 CD PRO A 40 5.218 -7.679 -5.919 1.00 44.24 C ATOM 0 HA PRO A 40 5.718 -8.568 -9.053 1.00 23.14 H new ATOM 0 HB2 PRO A 40 7.853 -8.552 -6.974 1.00 62.23 H new ATOM 0 HB3 PRO A 40 7.588 -7.339 -8.210 1.00 62.23 H new ATOM 0 HG2 PRO A 40 7.168 -6.824 -5.559 1.00 43.21 H new ATOM 0 HG3 PRO A 40 6.258 -6.015 -6.820 1.00 43.21 H new ATOM 0 HD2 PRO A 40 5.417 -8.387 -5.114 1.00 44.24 H new ATOM 0 HD3 PRO A 40 4.484 -6.966 -5.543 1.00 44.24 H new ATOM 570 N ASP A 41 6.609 -10.869 -9.066 1.00 24.30 N ATOM 571 CA ASP A 41 7.011 -12.296 -9.152 1.00 71.11 C ATOM 572 C ASP A 41 8.284 -12.563 -8.298 1.00 72.34 C ATOM 573 O ASP A 41 9.331 -11.949 -8.523 1.00 21.14 O ATOM 574 CB ASP A 41 7.245 -12.702 -10.632 1.00 14.45 C ATOM 575 CG ASP A 41 5.975 -12.559 -11.481 1.00 60.24 C ATOM 576 OD1 ASP A 41 5.701 -11.442 -11.978 1.00 0.32 O ATOM 577 OD2 ASP A 41 5.227 -13.552 -11.632 1.00 13.22 O ATOM 0 H ASP A 41 6.667 -10.375 -9.956 1.00 24.30 H new ATOM 0 HA ASP A 41 6.203 -12.907 -8.751 1.00 71.11 H new ATOM 0 HB2 ASP A 41 8.035 -12.082 -11.056 1.00 14.45 H new ATOM 0 HB3 ASP A 41 7.593 -13.734 -10.673 1.00 14.45 H new ATOM 582 N GLY A 42 8.155 -13.473 -7.316 1.00 50.33 N ATOM 583 CA GLY A 42 9.201 -13.741 -6.310 1.00 51.43 C ATOM 584 C GLY A 42 8.817 -13.237 -4.908 1.00 15.40 C ATOM 585 O GLY A 42 9.313 -13.755 -3.900 1.00 32.51 O ATOM 0 H GLY A 42 7.320 -14.046 -7.197 1.00 50.33 H new ATOM 0 HA2 GLY A 42 9.392 -14.813 -6.267 1.00 51.43 H new ATOM 0 HA3 GLY A 42 10.130 -13.264 -6.622 1.00 51.43 H new ATOM 589 N TYR A 43 7.931 -12.211 -4.853 1.00 20.53 N ATOM 590 CA TYR A 43 7.402 -11.633 -3.591 1.00 0.23 C ATOM 591 C TYR A 43 5.941 -12.103 -3.361 1.00 60.45 C ATOM 592 O TYR A 43 5.086 -11.925 -4.224 1.00 73.34 O ATOM 593 CB TYR A 43 7.449 -10.079 -3.618 1.00 31.02 C ATOM 594 CG TYR A 43 8.845 -9.446 -3.772 1.00 24.33 C ATOM 595 CD1 TYR A 43 9.522 -9.444 -5.001 1.00 44.04 C ATOM 596 CD2 TYR A 43 9.477 -8.828 -2.686 1.00 1.41 C ATOM 597 CE1 TYR A 43 10.766 -8.857 -5.134 1.00 4.52 C ATOM 598 CE2 TYR A 43 10.716 -8.239 -2.820 1.00 23.23 C ATOM 599 CZ TYR A 43 11.356 -8.255 -4.042 1.00 22.22 C ATOM 600 OH TYR A 43 12.588 -7.660 -4.174 1.00 4.42 O ATOM 0 H TYR A 43 7.561 -11.758 -5.689 1.00 20.53 H new ATOM 0 HA TYR A 43 8.033 -11.983 -2.774 1.00 0.23 H new ATOM 0 HB2 TYR A 43 6.822 -9.731 -4.439 1.00 31.02 H new ATOM 0 HB3 TYR A 43 7.003 -9.706 -2.696 1.00 31.02 H new ATOM 0 HD1 TYR A 43 9.062 -9.910 -5.860 1.00 44.04 H new ATOM 0 HD2 TYR A 43 8.984 -8.813 -1.725 1.00 1.41 H new ATOM 0 HE1 TYR A 43 11.273 -8.869 -6.087 1.00 4.52 H new ATOM 0 HE2 TYR A 43 11.185 -7.766 -1.970 1.00 23.23 H new ATOM 0 HH TYR A 43 12.862 -7.282 -3.313 1.00 4.42 H new ATOM 610 N GLU A 44 5.670 -12.671 -2.177 1.00 71.23 N ATOM 611 CA GLU A 44 4.364 -13.255 -1.821 1.00 53.51 C ATOM 612 C GLU A 44 3.565 -12.263 -0.952 1.00 44.43 C ATOM 613 O GLU A 44 4.098 -11.727 0.028 1.00 43.30 O ATOM 614 CB GLU A 44 4.591 -14.586 -1.056 1.00 53.52 C ATOM 615 CG GLU A 44 5.486 -15.613 -1.792 1.00 71.02 C ATOM 616 CD GLU A 44 4.861 -16.137 -3.096 1.00 33.20 C ATOM 617 OE1 GLU A 44 4.089 -17.117 -3.036 1.00 71.54 O ATOM 618 OE2 GLU A 44 5.123 -15.569 -4.180 1.00 34.31 O ATOM 0 H GLU A 44 6.359 -12.740 -1.428 1.00 71.23 H new ATOM 0 HA GLU A 44 3.793 -13.457 -2.727 1.00 53.51 H new ATOM 0 HB2 GLU A 44 5.040 -14.361 -0.089 1.00 53.52 H new ATOM 0 HB3 GLU A 44 3.622 -15.045 -0.858 1.00 53.52 H new ATOM 0 HG2 GLU A 44 6.447 -15.152 -2.017 1.00 71.02 H new ATOM 0 HG3 GLU A 44 5.684 -16.454 -1.128 1.00 71.02 H new ATOM 625 N TYR A 45 2.297 -12.017 -1.326 1.00 21.51 N ATOM 626 CA TYR A 45 1.389 -11.120 -0.579 1.00 13.25 C ATOM 627 C TYR A 45 1.077 -11.683 0.830 1.00 63.52 C ATOM 628 O TYR A 45 0.473 -12.753 0.965 1.00 62.03 O ATOM 629 CB TYR A 45 0.083 -10.896 -1.386 1.00 34.01 C ATOM 630 CG TYR A 45 -0.924 -9.915 -0.747 1.00 41.01 C ATOM 631 CD1 TYR A 45 -0.648 -8.541 -0.662 1.00 72.24 C ATOM 632 CD2 TYR A 45 -2.150 -10.359 -0.236 1.00 21.31 C ATOM 633 CE1 TYR A 45 -1.552 -7.664 -0.100 1.00 72.13 C ATOM 634 CE2 TYR A 45 -3.054 -9.481 0.323 1.00 73.22 C ATOM 635 CZ TYR A 45 -2.752 -8.137 0.386 1.00 60.14 C ATOM 636 OH TYR A 45 -3.652 -7.262 0.944 1.00 4.44 O ATOM 0 H TYR A 45 1.870 -12.433 -2.154 1.00 21.51 H new ATOM 0 HA TYR A 45 1.888 -10.160 -0.445 1.00 13.25 H new ATOM 0 HB2 TYR A 45 0.346 -10.527 -2.377 1.00 34.01 H new ATOM 0 HB3 TYR A 45 -0.409 -11.859 -1.524 1.00 34.01 H new ATOM 0 HD1 TYR A 45 0.289 -8.164 -1.044 1.00 72.24 H new ATOM 0 HD2 TYR A 45 -2.392 -11.411 -0.281 1.00 21.31 H new ATOM 0 HE1 TYR A 45 -1.321 -6.611 -0.041 1.00 72.13 H new ATOM 0 HE2 TYR A 45 -3.995 -9.844 0.710 1.00 73.22 H new ATOM 0 HH TYR A 45 -4.448 -7.754 1.237 1.00 4.44 H new ATOM 646 N VAL A 46 1.521 -10.954 1.868 1.00 12.41 N ATOM 647 CA VAL A 46 1.259 -11.305 3.282 1.00 14.05 C ATOM 648 C VAL A 46 -0.006 -10.576 3.784 1.00 73.41 C ATOM 649 O VAL A 46 -0.842 -11.161 4.484 1.00 65.45 O ATOM 650 CB VAL A 46 2.490 -10.948 4.201 1.00 43.50 C ATOM 651 CG1 VAL A 46 2.257 -11.364 5.680 1.00 25.32 C ATOM 652 CG2 VAL A 46 3.788 -11.576 3.638 1.00 54.53 C ATOM 0 H VAL A 46 2.072 -10.103 1.755 1.00 12.41 H new ATOM 0 HA VAL A 46 1.100 -12.382 3.337 1.00 14.05 H new ATOM 0 HB VAL A 46 2.601 -9.864 4.195 1.00 43.50 H new ATOM 0 HG11 VAL A 46 3.131 -11.098 6.275 1.00 25.32 H new ATOM 0 HG12 VAL A 46 1.381 -10.845 6.070 1.00 25.32 H new ATOM 0 HG13 VAL A 46 2.095 -12.441 5.734 1.00 25.32 H new ATOM 0 HG21 VAL A 46 4.627 -11.319 4.285 1.00 54.53 H new ATOM 0 HG22 VAL A 46 3.680 -12.660 3.597 1.00 54.53 H new ATOM 0 HG23 VAL A 46 3.973 -11.192 2.635 1.00 54.53 H new ATOM 662 N GLY A 47 -0.129 -9.287 3.417 1.00 51.12 N ATOM 663 CA GLY A 47 -1.281 -8.471 3.810 1.00 70.14 C ATOM 664 C GLY A 47 -1.113 -6.981 3.506 1.00 63.40 C ATOM 665 O GLY A 47 -0.142 -6.573 2.875 1.00 53.14 O ATOM 0 H GLY A 47 0.559 -8.793 2.848 1.00 51.12 H new ATOM 0 HA2 GLY A 47 -2.168 -8.840 3.295 1.00 70.14 H new ATOM 0 HA3 GLY A 47 -1.457 -8.597 4.878 1.00 70.14 H new ATOM 669 N THR A 48 -2.091 -6.176 3.956 1.00 4.21 N ATOM 670 CA THR A 48 -2.081 -4.695 3.830 1.00 24.41 C ATOM 671 C THR A 48 -2.445 -4.051 5.187 1.00 43.24 C ATOM 672 O THR A 48 -3.350 -4.519 5.888 1.00 32.52 O ATOM 673 CB THR A 48 -3.074 -4.207 2.712 1.00 32.12 C ATOM 674 OG1 THR A 48 -2.614 -4.647 1.420 1.00 61.11 O ATOM 675 CG2 THR A 48 -3.263 -2.670 2.685 1.00 63.42 C ATOM 0 H THR A 48 -2.924 -6.533 4.424 1.00 4.21 H new ATOM 0 HA THR A 48 -1.077 -4.385 3.540 1.00 24.41 H new ATOM 0 HB THR A 48 -4.042 -4.647 2.950 1.00 32.12 H new ATOM 0 HG1 THR A 48 -2.959 -5.546 1.239 1.00 61.11 H new ATOM 0 HG21 THR A 48 -3.960 -2.403 1.891 1.00 63.42 H new ATOM 0 HG22 THR A 48 -3.660 -2.335 3.643 1.00 63.42 H new ATOM 0 HG23 THR A 48 -2.302 -2.188 2.502 1.00 63.42 H new ATOM 683 N ASP A 49 -1.740 -2.965 5.531 1.00 43.15 N ATOM 684 CA ASP A 49 -1.849 -2.276 6.834 1.00 1.25 C ATOM 685 C ASP A 49 -2.159 -0.765 6.631 1.00 54.44 C ATOM 686 O ASP A 49 -1.827 -0.199 5.588 1.00 51.02 O ATOM 687 CB ASP A 49 -0.522 -2.477 7.609 1.00 52.03 C ATOM 688 CG ASP A 49 -0.527 -1.849 9.009 1.00 71.01 C ATOM 689 OD1 ASP A 49 -1.086 -2.459 9.942 1.00 63.41 O ATOM 690 OD2 ASP A 49 0.009 -0.732 9.179 1.00 12.53 O ATOM 0 H ASP A 49 -1.064 -2.529 4.904 1.00 43.15 H new ATOM 0 HA ASP A 49 -2.672 -2.699 7.411 1.00 1.25 H new ATOM 0 HB2 ASP A 49 -0.322 -3.545 7.700 1.00 52.03 H new ATOM 0 HB3 ASP A 49 0.296 -2.048 7.030 1.00 52.03 H new ATOM 695 N GLY A 50 -2.832 -0.140 7.623 1.00 54.24 N ATOM 696 CA GLY A 50 -3.117 1.311 7.606 1.00 43.54 C ATOM 697 C GLY A 50 -4.479 1.641 6.980 1.00 54.44 C ATOM 698 O GLY A 50 -5.427 1.987 7.691 1.00 1.22 O ATOM 0 H GLY A 50 -3.189 -0.621 8.449 1.00 54.24 H new ATOM 0 HA2 GLY A 50 -3.088 1.694 8.626 1.00 43.54 H new ATOM 0 HA3 GLY A 50 -2.332 1.825 7.050 1.00 43.54 H new ATOM 702 N GLY A 51 -4.577 1.502 5.643 1.00 70.22 N ATOM 703 CA GLY A 51 -5.840 1.736 4.911 1.00 54.41 C ATOM 704 C GLY A 51 -6.758 0.504 4.885 1.00 52.11 C ATOM 705 O GLY A 51 -6.348 -0.590 5.289 1.00 14.24 O ATOM 0 H GLY A 51 -3.796 1.229 5.046 1.00 70.22 H new ATOM 0 HA2 GLY A 51 -6.372 2.568 5.372 1.00 54.41 H new ATOM 0 HA3 GLY A 51 -5.610 2.032 3.888 1.00 54.41 H new ATOM 709 N VAL A 52 -7.993 0.675 4.368 1.00 63.34 N ATOM 710 CA VAL A 52 -9.008 -0.414 4.340 1.00 50.34 C ATOM 711 C VAL A 52 -8.821 -1.271 3.066 1.00 44.14 C ATOM 712 O VAL A 52 -9.122 -0.817 1.955 1.00 52.44 O ATOM 713 CB VAL A 52 -10.486 0.138 4.396 1.00 62.14 C ATOM 714 CG1 VAL A 52 -11.524 -1.012 4.518 1.00 44.42 C ATOM 715 CG2 VAL A 52 -10.664 1.173 5.530 1.00 32.23 C ATOM 0 H VAL A 52 -8.317 1.554 3.963 1.00 63.34 H new ATOM 0 HA VAL A 52 -8.853 -1.024 5.230 1.00 50.34 H new ATOM 0 HB VAL A 52 -10.672 0.649 3.451 1.00 62.14 H new ATOM 0 HG11 VAL A 52 -12.529 -0.592 4.554 1.00 44.42 H new ATOM 0 HG12 VAL A 52 -11.437 -1.673 3.656 1.00 44.42 H new ATOM 0 HG13 VAL A 52 -11.334 -1.578 5.430 1.00 44.42 H new ATOM 0 HG21 VAL A 52 -11.694 1.531 5.538 1.00 32.23 H new ATOM 0 HG22 VAL A 52 -10.435 0.706 6.488 1.00 32.23 H new ATOM 0 HG23 VAL A 52 -9.989 2.013 5.365 1.00 32.23 H new ATOM 725 N VAL A 53 -8.311 -2.502 3.235 1.00 62.44 N ATOM 726 CA VAL A 53 -8.025 -3.415 2.108 1.00 64.04 C ATOM 727 C VAL A 53 -9.294 -4.200 1.682 1.00 75.52 C ATOM 728 O VAL A 53 -10.171 -4.490 2.505 1.00 72.31 O ATOM 729 CB VAL A 53 -6.857 -4.413 2.471 1.00 32.20 C ATOM 730 CG1 VAL A 53 -7.238 -5.370 3.629 1.00 3.33 C ATOM 731 CG2 VAL A 53 -6.358 -5.193 1.226 1.00 61.44 C ATOM 0 H VAL A 53 -8.085 -2.894 4.149 1.00 62.44 H new ATOM 0 HA VAL A 53 -7.706 -2.803 1.264 1.00 64.04 H new ATOM 0 HB VAL A 53 -6.027 -3.803 2.827 1.00 32.20 H new ATOM 0 HG11 VAL A 53 -6.402 -6.036 3.841 1.00 3.33 H new ATOM 0 HG12 VAL A 53 -7.473 -4.788 4.520 1.00 3.33 H new ATOM 0 HG13 VAL A 53 -8.108 -5.960 3.342 1.00 3.33 H new ATOM 0 HG21 VAL A 53 -5.554 -5.869 1.518 1.00 61.44 H new ATOM 0 HG22 VAL A 53 -7.181 -5.769 0.804 1.00 61.44 H new ATOM 0 HG23 VAL A 53 -5.987 -4.490 0.480 1.00 61.44 H new ATOM 741 N SER A 54 -9.386 -4.511 0.375 1.00 13.55 N ATOM 742 CA SER A 54 -10.450 -5.373 -0.188 1.00 30.11 C ATOM 743 C SER A 54 -10.274 -6.846 0.267 1.00 12.11 C ATOM 744 O SER A 54 -9.177 -7.259 0.667 1.00 33.03 O ATOM 745 CB SER A 54 -10.437 -5.287 -1.735 1.00 51.42 C ATOM 746 OG SER A 54 -11.471 -6.078 -2.319 1.00 72.21 O ATOM 0 H SER A 54 -8.725 -4.172 -0.324 1.00 13.55 H new ATOM 0 HA SER A 54 -11.411 -5.017 0.183 1.00 30.11 H new ATOM 0 HB2 SER A 54 -10.557 -4.248 -2.042 1.00 51.42 H new ATOM 0 HB3 SER A 54 -9.469 -5.620 -2.109 1.00 51.42 H new ATOM 0 HG SER A 54 -11.072 -6.790 -2.861 1.00 72.21 H new ATOM 752 N SER A 55 -11.362 -7.631 0.165 1.00 24.53 N ATOM 753 CA SER A 55 -11.414 -9.042 0.648 1.00 4.33 C ATOM 754 C SER A 55 -10.410 -9.969 -0.078 1.00 32.13 C ATOM 755 O SER A 55 -9.904 -10.924 0.516 1.00 72.41 O ATOM 756 CB SER A 55 -12.849 -9.599 0.502 1.00 4.35 C ATOM 757 OG SER A 55 -12.953 -10.935 0.981 1.00 65.00 O ATOM 0 H SER A 55 -12.236 -7.314 -0.254 1.00 24.53 H new ATOM 0 HA SER A 55 -11.125 -9.026 1.699 1.00 4.33 H new ATOM 0 HB2 SER A 55 -13.543 -8.962 1.051 1.00 4.35 H new ATOM 0 HB3 SER A 55 -13.146 -9.565 -0.546 1.00 4.35 H new ATOM 0 HG SER A 55 -13.875 -11.250 0.873 1.00 65.00 H new ATOM 763 N ASP A 56 -10.123 -9.673 -1.361 1.00 20.32 N ATOM 764 CA ASP A 56 -9.164 -10.454 -2.185 1.00 75.21 C ATOM 765 C ASP A 56 -7.707 -9.916 -2.069 1.00 43.24 C ATOM 766 O ASP A 56 -6.763 -10.566 -2.529 1.00 10.43 O ATOM 767 CB ASP A 56 -9.634 -10.480 -3.674 1.00 5.13 C ATOM 768 CG ASP A 56 -9.682 -9.111 -4.398 1.00 14.30 C ATOM 769 OD1 ASP A 56 -9.677 -8.035 -3.746 1.00 21.13 O ATOM 770 OD2 ASP A 56 -9.733 -9.112 -5.645 1.00 53.43 O ATOM 0 H ASP A 56 -10.545 -8.889 -1.859 1.00 20.32 H new ATOM 0 HA ASP A 56 -9.151 -11.473 -1.798 1.00 75.21 H new ATOM 0 HB2 ASP A 56 -8.970 -11.140 -4.232 1.00 5.13 H new ATOM 0 HB3 ASP A 56 -10.629 -10.923 -3.712 1.00 5.13 H new ATOM 775 N GLY A 57 -7.545 -8.724 -1.451 1.00 72.33 N ATOM 776 CA GLY A 57 -6.227 -8.084 -1.283 1.00 75.33 C ATOM 777 C GLY A 57 -5.679 -7.401 -2.546 1.00 5.54 C ATOM 778 O GLY A 57 -4.505 -7.019 -2.583 1.00 12.54 O ATOM 0 H GLY A 57 -8.318 -8.186 -1.059 1.00 72.33 H new ATOM 0 HA2 GLY A 57 -6.297 -7.343 -0.487 1.00 75.33 H new ATOM 0 HA3 GLY A 57 -5.511 -8.838 -0.955 1.00 75.33 H new ATOM 782 N LYS A 58 -6.537 -7.233 -3.570 1.00 35.52 N ATOM 783 CA LYS A 58 -6.158 -6.618 -4.869 1.00 13.01 C ATOM 784 C LYS A 58 -6.096 -5.077 -4.789 1.00 42.01 C ATOM 785 O LYS A 58 -5.281 -4.455 -5.461 1.00 43.23 O ATOM 786 CB LYS A 58 -7.183 -7.033 -5.949 1.00 71.15 C ATOM 787 CG LYS A 58 -6.995 -6.404 -7.355 1.00 21.01 C ATOM 788 CD LYS A 58 -8.160 -6.712 -8.333 1.00 53.04 C ATOM 789 CE LYS A 58 -9.488 -5.987 -7.990 1.00 13.05 C ATOM 790 NZ LYS A 58 -10.139 -6.475 -6.745 1.00 54.14 N ATOM 0 H LYS A 58 -7.515 -7.518 -3.526 1.00 35.52 H new ATOM 0 HA LYS A 58 -5.161 -6.976 -5.127 1.00 13.01 H new ATOM 0 HB2 LYS A 58 -7.150 -8.118 -6.053 1.00 71.15 H new ATOM 0 HB3 LYS A 58 -8.180 -6.777 -5.590 1.00 71.15 H new ATOM 0 HG2 LYS A 58 -6.895 -5.324 -7.250 1.00 21.01 H new ATOM 0 HG3 LYS A 58 -6.063 -6.770 -7.786 1.00 21.01 H new ATOM 0 HD2 LYS A 58 -7.856 -6.432 -9.342 1.00 53.04 H new ATOM 0 HD3 LYS A 58 -8.338 -7.787 -8.341 1.00 53.04 H new ATOM 0 HE2 LYS A 58 -9.292 -4.919 -7.891 1.00 13.05 H new ATOM 0 HE3 LYS A 58 -10.182 -6.108 -8.822 1.00 13.05 H new ATOM 0 HZ1 LYS A 58 -11.171 -6.474 -6.870 1.00 54.14 H new ATOM 0 HZ2 LYS A 58 -9.816 -7.442 -6.540 1.00 54.14 H new ATOM 0 HZ3 LYS A 58 -9.886 -5.850 -5.953 1.00 54.14 H new ATOM 804 N THR A 59 -7.004 -4.471 -4.002 1.00 53.32 N ATOM 805 CA THR A 59 -7.140 -2.991 -3.895 1.00 34.53 C ATOM 806 C THR A 59 -7.206 -2.531 -2.422 1.00 0.41 C ATOM 807 O THR A 59 -7.400 -3.341 -1.515 1.00 64.44 O ATOM 808 CB THR A 59 -8.416 -2.469 -4.657 1.00 61.41 C ATOM 809 OG1 THR A 59 -9.588 -3.146 -4.172 1.00 24.53 O ATOM 810 CG2 THR A 59 -8.309 -2.665 -6.186 1.00 23.42 C ATOM 0 H THR A 59 -7.666 -4.984 -3.420 1.00 53.32 H new ATOM 0 HA THR A 59 -6.251 -2.566 -4.360 1.00 34.53 H new ATOM 0 HB THR A 59 -8.490 -1.399 -4.463 1.00 61.41 H new ATOM 0 HG1 THR A 59 -10.378 -2.815 -4.649 1.00 24.53 H new ATOM 0 HG21 THR A 59 -9.213 -2.289 -6.665 1.00 23.42 H new ATOM 0 HG22 THR A 59 -7.445 -2.119 -6.563 1.00 23.42 H new ATOM 0 HG23 THR A 59 -8.194 -3.726 -6.410 1.00 23.42 H new ATOM 818 N VAL A 60 -7.028 -1.211 -2.210 1.00 3.44 N ATOM 819 CA VAL A 60 -7.107 -0.563 -0.879 1.00 72.51 C ATOM 820 C VAL A 60 -7.684 0.875 -1.010 1.00 60.11 C ATOM 821 O VAL A 60 -7.243 1.646 -1.868 1.00 74.23 O ATOM 822 CB VAL A 60 -5.682 -0.534 -0.182 1.00 22.22 C ATOM 823 CG1 VAL A 60 -4.616 0.196 -1.043 1.00 22.30 C ATOM 824 CG2 VAL A 60 -5.768 0.070 1.245 1.00 75.33 C ATOM 0 H VAL A 60 -6.823 -0.556 -2.964 1.00 3.44 H new ATOM 0 HA VAL A 60 -7.779 -1.148 -0.251 1.00 72.51 H new ATOM 0 HB VAL A 60 -5.353 -1.569 -0.090 1.00 22.22 H new ATOM 0 HG11 VAL A 60 -3.659 0.188 -0.521 1.00 22.30 H new ATOM 0 HG12 VAL A 60 -4.511 -0.313 -2.001 1.00 22.30 H new ATOM 0 HG13 VAL A 60 -4.928 1.227 -1.212 1.00 22.30 H new ATOM 0 HG21 VAL A 60 -4.776 0.077 1.698 1.00 75.33 H new ATOM 0 HG22 VAL A 60 -6.147 1.090 1.186 1.00 75.33 H new ATOM 0 HG23 VAL A 60 -6.441 -0.532 1.855 1.00 75.33 H new ATOM 834 N THR A 61 -8.686 1.232 -0.176 1.00 2.32 N ATOM 835 CA THR A 61 -9.245 2.608 -0.161 1.00 0.30 C ATOM 836 C THR A 61 -8.461 3.508 0.830 1.00 31.54 C ATOM 837 O THR A 61 -8.285 3.176 2.012 1.00 31.12 O ATOM 838 CB THR A 61 -10.787 2.655 0.133 1.00 3.02 C ATOM 839 OG1 THR A 61 -11.263 4.008 0.025 1.00 61.12 O ATOM 840 CG2 THR A 61 -11.169 2.098 1.506 1.00 21.24 C ATOM 0 H THR A 61 -9.123 0.595 0.491 1.00 2.32 H new ATOM 0 HA THR A 61 -9.121 2.999 -1.171 1.00 0.30 H new ATOM 0 HB THR A 61 -11.258 2.014 -0.612 1.00 3.02 H new ATOM 0 HG1 THR A 61 -10.734 4.488 -0.646 1.00 61.12 H new ATOM 0 HG21 THR A 61 -12.249 2.163 1.638 1.00 21.24 H new ATOM 0 HG22 THR A 61 -10.858 1.056 1.575 1.00 21.24 H new ATOM 0 HG23 THR A 61 -10.673 2.677 2.285 1.00 21.24 H new ATOM 848 N ILE A 62 -7.939 4.621 0.295 1.00 13.15 N ATOM 849 CA ILE A 62 -7.078 5.576 1.018 1.00 34.23 C ATOM 850 C ILE A 62 -7.786 6.945 1.115 1.00 61.42 C ATOM 851 O ILE A 62 -8.077 7.567 0.089 1.00 10.11 O ATOM 852 CB ILE A 62 -5.705 5.755 0.257 1.00 3.01 C ATOM 853 CG1 ILE A 62 -5.136 4.363 -0.177 1.00 24.12 C ATOM 854 CG2 ILE A 62 -4.682 6.534 1.128 1.00 3.11 C ATOM 855 CD1 ILE A 62 -3.880 4.417 -1.015 1.00 72.01 C ATOM 0 H ILE A 62 -8.106 4.891 -0.674 1.00 13.15 H new ATOM 0 HA ILE A 62 -6.887 5.188 2.019 1.00 34.23 H new ATOM 0 HB ILE A 62 -5.885 6.344 -0.642 1.00 3.01 H new ATOM 0 HG12 ILE A 62 -4.932 3.776 0.719 1.00 24.12 H new ATOM 0 HG13 ILE A 62 -5.906 3.832 -0.737 1.00 24.12 H new ATOM 0 HG21 ILE A 62 -3.746 6.643 0.580 1.00 3.11 H new ATOM 0 HG22 ILE A 62 -5.081 7.520 1.364 1.00 3.11 H new ATOM 0 HG23 ILE A 62 -4.500 5.986 2.052 1.00 3.11 H new ATOM 0 HD11 ILE A 62 -3.565 3.404 -1.264 1.00 72.01 H new ATOM 0 HD12 ILE A 62 -4.078 4.972 -1.932 1.00 72.01 H new ATOM 0 HD13 ILE A 62 -3.089 4.915 -0.454 1.00 72.01 H new ATOM 867 N THR A 63 -8.047 7.421 2.337 1.00 60.23 N ATOM 868 CA THR A 63 -8.722 8.722 2.556 1.00 24.41 C ATOM 869 C THR A 63 -7.702 9.750 3.083 1.00 2.15 C ATOM 870 O THR A 63 -6.967 9.476 4.042 1.00 61.00 O ATOM 871 CB THR A 63 -9.936 8.589 3.539 1.00 22.35 C ATOM 872 OG1 THR A 63 -10.708 7.417 3.206 1.00 40.53 O ATOM 873 CG2 THR A 63 -10.868 9.820 3.467 1.00 22.45 C ATOM 0 H THR A 63 -7.804 6.929 3.197 1.00 60.23 H new ATOM 0 HA THR A 63 -9.121 9.066 1.601 1.00 24.41 H new ATOM 0 HB THR A 63 -9.530 8.512 4.548 1.00 22.35 H new ATOM 0 HG1 THR A 63 -11.464 7.337 3.824 1.00 40.53 H new ATOM 0 HG21 THR A 63 -11.697 9.690 4.163 1.00 22.45 H new ATOM 0 HG22 THR A 63 -10.308 10.716 3.733 1.00 22.45 H new ATOM 0 HG23 THR A 63 -11.257 9.923 2.454 1.00 22.45 H new ATOM 881 N PHE A 64 -7.668 10.927 2.443 1.00 3.04 N ATOM 882 CA PHE A 64 -6.631 11.960 2.672 1.00 1.04 C ATOM 883 C PHE A 64 -6.856 12.681 4.022 1.00 20.55 C ATOM 884 O PHE A 64 -8.000 12.978 4.381 1.00 62.31 O ATOM 885 CB PHE A 64 -6.641 12.969 1.491 1.00 31.43 C ATOM 886 CG PHE A 64 -6.623 12.284 0.123 1.00 51.30 C ATOM 887 CD1 PHE A 64 -5.439 11.810 -0.428 1.00 42.23 C ATOM 888 CD2 PHE A 64 -7.809 12.084 -0.597 1.00 2.22 C ATOM 889 CE1 PHE A 64 -5.439 11.167 -1.648 1.00 22.20 C ATOM 890 CE2 PHE A 64 -7.806 11.435 -1.813 1.00 4.31 C ATOM 891 CZ PHE A 64 -6.620 10.978 -2.340 1.00 50.31 C ATOM 0 H PHE A 64 -8.361 11.197 1.745 1.00 3.04 H new ATOM 0 HA PHE A 64 -5.654 11.480 2.720 1.00 1.04 H new ATOM 0 HB2 PHE A 64 -7.528 13.598 1.565 1.00 31.43 H new ATOM 0 HB3 PHE A 64 -5.776 13.626 1.574 1.00 31.43 H new ATOM 0 HD1 PHE A 64 -4.509 11.946 0.104 1.00 42.23 H new ATOM 0 HD2 PHE A 64 -8.743 12.445 -0.191 1.00 2.22 H new ATOM 0 HE1 PHE A 64 -4.510 10.809 -2.065 1.00 22.20 H new ATOM 0 HE2 PHE A 64 -8.731 11.286 -2.350 1.00 4.31 H new ATOM 0 HZ PHE A 64 -6.612 10.472 -3.294 1.00 50.31 H new ATOM 901 N ALA A 65 -5.769 12.945 4.772 1.00 14.53 N ATOM 902 CA ALA A 65 -5.865 13.538 6.129 1.00 71.22 C ATOM 903 C ALA A 65 -4.602 14.335 6.513 1.00 60.14 C ATOM 904 O ALA A 65 -3.496 14.022 6.066 1.00 51.25 O ATOM 905 CB ALA A 65 -6.121 12.438 7.180 1.00 50.33 C ATOM 0 H ALA A 65 -4.814 12.759 4.466 1.00 14.53 H new ATOM 0 HA ALA A 65 -6.704 14.234 6.110 1.00 71.22 H new ATOM 0 HB1 ALA A 65 -6.189 12.889 8.170 1.00 50.33 H new ATOM 0 HB2 ALA A 65 -7.055 11.925 6.950 1.00 50.33 H new ATOM 0 HB3 ALA A 65 -5.300 11.721 7.164 1.00 50.33 H new ATOM 911 N ALA A 66 -4.785 15.327 7.406 1.00 3.22 N ATOM 912 CA ALA A 66 -3.681 16.089 8.046 1.00 0.51 C ATOM 913 C ALA A 66 -3.057 15.296 9.241 1.00 14.52 C ATOM 914 O ALA A 66 -2.402 15.868 10.119 1.00 21.34 O ATOM 915 CB ALA A 66 -4.235 17.453 8.507 1.00 14.42 C ATOM 0 H ALA A 66 -5.711 15.629 7.710 1.00 3.22 H new ATOM 0 HA ALA A 66 -2.879 16.244 7.324 1.00 0.51 H new ATOM 0 HB1 ALA A 66 -3.439 18.028 8.980 1.00 14.42 H new ATOM 0 HB2 ALA A 66 -4.616 18.001 7.645 1.00 14.42 H new ATOM 0 HB3 ALA A 66 -5.042 17.295 9.222 1.00 14.42 H new ATOM 921 N ASP A 67 -3.241 13.962 9.228 1.00 64.31 N ATOM 922 CA ASP A 67 -2.833 13.045 10.298 1.00 61.40 C ATOM 923 C ASP A 67 -2.083 11.833 9.691 1.00 53.51 C ATOM 924 O ASP A 67 -2.270 11.503 8.515 1.00 1.13 O ATOM 925 CB ASP A 67 -4.101 12.589 11.062 1.00 75.12 C ATOM 926 CG ASP A 67 -3.799 11.735 12.298 1.00 33.45 C ATOM 927 OD1 ASP A 67 -3.533 12.307 13.375 1.00 62.20 O ATOM 928 OD2 ASP A 67 -3.803 10.491 12.195 1.00 41.32 O ATOM 0 H ASP A 67 -3.691 13.483 8.448 1.00 64.31 H new ATOM 0 HA ASP A 67 -2.156 13.544 10.992 1.00 61.40 H new ATOM 0 HB2 ASP A 67 -4.667 13.469 11.368 1.00 75.12 H new ATOM 0 HB3 ASP A 67 -4.738 12.020 10.385 1.00 75.12 H new ATOM 933 N ASP A 68 -1.274 11.150 10.528 1.00 63.34 N ATOM 934 CA ASP A 68 -0.444 9.985 10.119 1.00 72.33 C ATOM 935 C ASP A 68 -1.278 8.748 9.676 1.00 15.32 C ATOM 936 O ASP A 68 -0.719 7.785 9.155 1.00 54.41 O ATOM 937 CB ASP A 68 0.503 9.604 11.279 1.00 20.14 C ATOM 938 CG ASP A 68 1.418 10.766 11.680 1.00 51.35 C ATOM 939 OD1 ASP A 68 1.004 11.605 12.514 1.00 15.11 O ATOM 940 OD2 ASP A 68 2.532 10.870 11.139 1.00 73.00 O ATOM 0 H ASP A 68 -1.174 11.389 11.515 1.00 63.34 H new ATOM 0 HA ASP A 68 0.126 10.291 9.241 1.00 72.33 H new ATOM 0 HB2 ASP A 68 -0.087 9.293 12.141 1.00 20.14 H new ATOM 0 HB3 ASP A 68 1.111 8.749 10.984 1.00 20.14 H new ATOM 945 N SER A 69 -2.607 8.796 9.878 1.00 24.33 N ATOM 946 CA SER A 69 -3.551 7.726 9.464 1.00 33.54 C ATOM 947 C SER A 69 -3.649 7.539 7.924 1.00 12.14 C ATOM 948 O SER A 69 -4.234 6.556 7.462 1.00 41.12 O ATOM 949 CB SER A 69 -4.947 8.029 10.050 1.00 2.44 C ATOM 950 OG SER A 69 -5.441 9.286 9.604 1.00 23.13 O ATOM 0 H SER A 69 -3.066 9.583 10.337 1.00 24.33 H new ATOM 0 HA SER A 69 -3.160 6.787 9.856 1.00 33.54 H new ATOM 0 HB2 SER A 69 -5.642 7.241 9.761 1.00 2.44 H new ATOM 0 HB3 SER A 69 -4.894 8.024 11.139 1.00 2.44 H new ATOM 0 HG SER A 69 -6.327 9.446 9.992 1.00 23.13 H new ATOM 956 N ASP A 70 -3.069 8.474 7.141 1.00 50.25 N ATOM 957 CA ASP A 70 -3.070 8.426 5.656 1.00 2.22 C ATOM 958 C ASP A 70 -2.277 7.208 5.095 1.00 4.21 C ATOM 959 O ASP A 70 -2.602 6.687 4.016 1.00 13.01 O ATOM 960 CB ASP A 70 -2.457 9.742 5.099 1.00 64.42 C ATOM 961 CG ASP A 70 -0.944 9.869 5.382 1.00 55.41 C ATOM 962 OD1 ASP A 70 -0.568 10.083 6.556 1.00 51.45 O ATOM 963 OD2 ASP A 70 -0.126 9.704 4.448 1.00 11.54 O ATOM 0 H ASP A 70 -2.584 9.288 7.519 1.00 50.25 H new ATOM 0 HA ASP A 70 -4.105 8.315 5.334 1.00 2.22 H new ATOM 0 HB2 ASP A 70 -2.625 9.788 4.023 1.00 64.42 H new ATOM 0 HB3 ASP A 70 -2.976 10.593 5.539 1.00 64.42 H new ATOM 968 N ASN A 71 -1.232 6.800 5.849 1.00 42.24 N ATOM 969 CA ASN A 71 -0.257 5.771 5.427 1.00 41.44 C ATOM 970 C ASN A 71 -0.903 4.382 5.162 1.00 64.31 C ATOM 971 O ASN A 71 -1.744 3.904 5.932 1.00 50.12 O ATOM 972 CB ASN A 71 0.890 5.656 6.477 1.00 54.42 C ATOM 973 CG ASN A 71 0.500 5.027 7.829 1.00 33.01 C ATOM 974 OD1 ASN A 71 1.323 4.398 8.485 1.00 33.21 O ATOM 975 ND2 ASN A 71 -0.739 5.184 8.273 1.00 23.21 N ATOM 0 H ASN A 71 -1.040 7.180 6.776 1.00 42.24 H new ATOM 0 HA ASN A 71 0.154 6.100 4.472 1.00 41.44 H new ATOM 0 HB2 ASN A 71 1.697 5.066 6.043 1.00 54.42 H new ATOM 0 HB3 ASN A 71 1.288 6.653 6.663 1.00 54.42 H new ATOM 0 HD21 ASN A 71 -1.015 4.780 9.168 1.00 23.21 H new ATOM 0 HD22 ASN A 71 -1.416 5.709 7.720 1.00 23.21 H new ATOM 982 N VAL A 72 -0.523 3.768 4.035 1.00 11.12 N ATOM 983 CA VAL A 72 -0.887 2.379 3.697 1.00 62.34 C ATOM 984 C VAL A 72 0.401 1.582 3.420 1.00 33.12 C ATOM 985 O VAL A 72 1.124 1.880 2.470 1.00 43.43 O ATOM 986 CB VAL A 72 -1.835 2.325 2.437 1.00 51.44 C ATOM 987 CG1 VAL A 72 -2.179 0.871 2.041 1.00 50.32 C ATOM 988 CG2 VAL A 72 -3.119 3.158 2.675 1.00 74.44 C ATOM 0 H VAL A 72 0.050 4.221 3.324 1.00 11.12 H new ATOM 0 HA VAL A 72 -1.428 1.942 4.537 1.00 62.34 H new ATOM 0 HB VAL A 72 -1.294 2.768 1.601 1.00 51.44 H new ATOM 0 HG11 VAL A 72 -2.833 0.876 1.169 1.00 50.32 H new ATOM 0 HG12 VAL A 72 -1.262 0.332 1.803 1.00 50.32 H new ATOM 0 HG13 VAL A 72 -2.685 0.378 2.871 1.00 50.32 H new ATOM 0 HG21 VAL A 72 -3.756 3.105 1.792 1.00 74.44 H new ATOM 0 HG22 VAL A 72 -3.657 2.760 3.535 1.00 74.44 H new ATOM 0 HG23 VAL A 72 -2.849 4.197 2.865 1.00 74.44 H new ATOM 998 N VAL A 73 0.667 0.557 4.241 1.00 51.11 N ATOM 999 CA VAL A 73 1.886 -0.267 4.141 1.00 33.25 C ATOM 1000 C VAL A 73 1.530 -1.669 3.604 1.00 12.14 C ATOM 1001 O VAL A 73 0.852 -2.449 4.282 1.00 61.20 O ATOM 1002 CB VAL A 73 2.616 -0.383 5.538 1.00 70.42 C ATOM 1003 CG1 VAL A 73 3.934 -1.191 5.428 1.00 30.32 C ATOM 1004 CG2 VAL A 73 2.870 1.020 6.150 1.00 11.20 C ATOM 0 H VAL A 73 0.043 0.273 4.996 1.00 51.11 H new ATOM 0 HA VAL A 73 2.571 0.220 3.447 1.00 33.25 H new ATOM 0 HB VAL A 73 1.954 -0.930 6.210 1.00 70.42 H new ATOM 0 HG11 VAL A 73 4.408 -1.250 6.408 1.00 30.32 H new ATOM 0 HG12 VAL A 73 3.715 -2.197 5.070 1.00 30.32 H new ATOM 0 HG13 VAL A 73 4.607 -0.695 4.729 1.00 30.32 H new ATOM 0 HG21 VAL A 73 3.373 0.912 7.111 1.00 11.20 H new ATOM 0 HG22 VAL A 73 3.497 1.603 5.475 1.00 11.20 H new ATOM 0 HG23 VAL A 73 1.918 1.532 6.294 1.00 11.20 H new ATOM 1014 N ILE A 74 1.984 -1.973 2.378 1.00 10.20 N ATOM 1015 CA ILE A 74 1.757 -3.280 1.735 1.00 25.02 C ATOM 1016 C ILE A 74 2.858 -4.267 2.178 1.00 55.13 C ATOM 1017 O ILE A 74 4.029 -4.049 1.891 1.00 53.52 O ATOM 1018 CB ILE A 74 1.772 -3.171 0.161 1.00 54.34 C ATOM 1019 CG1 ILE A 74 0.834 -2.016 -0.340 1.00 54.05 C ATOM 1020 CG2 ILE A 74 1.404 -4.534 -0.490 1.00 43.40 C ATOM 1021 CD1 ILE A 74 -0.621 -2.123 0.098 1.00 11.41 C ATOM 0 H ILE A 74 2.519 -1.321 1.804 1.00 10.20 H new ATOM 0 HA ILE A 74 0.773 -3.635 2.043 1.00 25.02 H new ATOM 0 HB ILE A 74 2.785 -2.919 -0.151 1.00 54.34 H new ATOM 0 HG12 ILE A 74 1.234 -1.066 0.014 1.00 54.05 H new ATOM 0 HG13 ILE A 74 0.867 -1.990 -1.429 1.00 54.05 H new ATOM 0 HG21 ILE A 74 1.421 -4.435 -1.575 1.00 43.40 H new ATOM 0 HG22 ILE A 74 2.126 -5.290 -0.183 1.00 43.40 H new ATOM 0 HG23 ILE A 74 0.407 -4.833 -0.168 1.00 43.40 H new ATOM 0 HD11 ILE A 74 -1.184 -1.278 -0.300 1.00 11.41 H new ATOM 0 HD12 ILE A 74 -1.047 -3.053 -0.279 1.00 11.41 H new ATOM 0 HD13 ILE A 74 -0.675 -2.115 1.187 1.00 11.41 H new ATOM 1033 N HIS A 75 2.474 -5.351 2.860 1.00 31.04 N ATOM 1034 CA HIS A 75 3.422 -6.347 3.397 1.00 71.15 C ATOM 1035 C HIS A 75 3.593 -7.521 2.418 1.00 63.41 C ATOM 1036 O HIS A 75 2.621 -8.202 2.070 1.00 25.35 O ATOM 1037 CB HIS A 75 2.939 -6.848 4.772 1.00 20.12 C ATOM 1038 CG HIS A 75 2.973 -5.772 5.823 1.00 63.51 C ATOM 1039 ND1 HIS A 75 4.055 -5.577 6.652 1.00 73.12 N ATOM 1040 CD2 HIS A 75 2.078 -4.807 6.154 1.00 2.13 C ATOM 1041 CE1 HIS A 75 3.827 -4.551 7.437 1.00 72.13 C ATOM 1042 NE2 HIS A 75 2.641 -4.067 7.159 1.00 45.11 N ATOM 0 H HIS A 75 1.497 -5.568 3.058 1.00 31.04 H new ATOM 0 HA HIS A 75 4.394 -5.871 3.521 1.00 71.15 H new ATOM 0 HB2 HIS A 75 1.922 -7.229 4.679 1.00 20.12 H new ATOM 0 HB3 HIS A 75 3.564 -7.682 5.091 1.00 20.12 H new ATOM 0 HD1 HIS A 75 4.903 -6.143 6.655 1.00 73.12 H new ATOM 0 HD2 HIS A 75 1.106 -4.652 5.709 1.00 2.13 H new ATOM 0 HE1 HIS A 75 4.504 -4.169 8.187 1.00 72.13 H new ATOM 1051 N LEU A 76 4.838 -7.719 1.967 1.00 42.31 N ATOM 1052 CA LEU A 76 5.243 -8.826 1.074 1.00 64.24 C ATOM 1053 C LEU A 76 6.341 -9.662 1.762 1.00 1.22 C ATOM 1054 O LEU A 76 6.869 -9.268 2.794 1.00 73.42 O ATOM 1055 CB LEU A 76 5.762 -8.254 -0.278 1.00 43.22 C ATOM 1056 CG LEU A 76 4.753 -7.349 -1.061 1.00 70.13 C ATOM 1057 CD1 LEU A 76 5.405 -6.720 -2.314 1.00 10.43 C ATOM 1058 CD2 LEU A 76 3.463 -8.130 -1.426 1.00 74.11 C ATOM 0 H LEU A 76 5.613 -7.104 2.215 1.00 42.31 H new ATOM 0 HA LEU A 76 4.384 -9.465 0.872 1.00 64.24 H new ATOM 0 HB2 LEU A 76 6.666 -7.676 -0.085 1.00 43.22 H new ATOM 0 HB3 LEU A 76 6.048 -9.088 -0.919 1.00 43.22 H new ATOM 0 HG LEU A 76 4.468 -6.531 -0.400 1.00 70.13 H new ATOM 0 HD11 LEU A 76 4.674 -6.099 -2.831 1.00 10.43 H new ATOM 0 HD12 LEU A 76 6.254 -6.107 -2.013 1.00 10.43 H new ATOM 0 HD13 LEU A 76 5.747 -7.511 -2.982 1.00 10.43 H new ATOM 0 HD21 LEU A 76 2.782 -7.474 -1.969 1.00 74.11 H new ATOM 0 HD22 LEU A 76 3.720 -8.985 -2.052 1.00 74.11 H new ATOM 0 HD23 LEU A 76 2.979 -8.480 -0.514 1.00 74.11 H new ATOM 1070 N LYS A 77 6.662 -10.824 1.197 1.00 42.10 N ATOM 1071 CA LYS A 77 7.771 -11.678 1.687 1.00 14.24 C ATOM 1072 C LYS A 77 8.475 -12.345 0.495 1.00 1.30 C ATOM 1073 O LYS A 77 8.015 -12.236 -0.625 1.00 72.11 O ATOM 1074 CB LYS A 77 7.248 -12.742 2.697 1.00 70.32 C ATOM 1075 CG LYS A 77 6.488 -13.933 2.073 1.00 72.02 C ATOM 1076 CD LYS A 77 6.010 -14.973 3.112 1.00 51.30 C ATOM 1077 CE LYS A 77 7.148 -15.510 4.012 1.00 10.45 C ATOM 1078 NZ LYS A 77 8.305 -16.026 3.230 1.00 65.23 N ATOM 0 H LYS A 77 6.171 -11.209 0.390 1.00 42.10 H new ATOM 0 HA LYS A 77 8.492 -11.054 2.215 1.00 14.24 H new ATOM 0 HB2 LYS A 77 8.096 -13.130 3.261 1.00 70.32 H new ATOM 0 HB3 LYS A 77 6.590 -12.247 3.411 1.00 70.32 H new ATOM 0 HG2 LYS A 77 5.625 -13.556 1.525 1.00 72.02 H new ATOM 0 HG3 LYS A 77 7.135 -14.427 1.348 1.00 72.02 H new ATOM 0 HD2 LYS A 77 5.242 -14.521 3.740 1.00 51.30 H new ATOM 0 HD3 LYS A 77 5.544 -15.809 2.590 1.00 51.30 H new ATOM 0 HE2 LYS A 77 7.488 -14.714 4.674 1.00 10.45 H new ATOM 0 HE3 LYS A 77 6.759 -16.307 4.646 1.00 10.45 H new ATOM 0 HZ1 LYS A 77 8.603 -16.945 3.616 1.00 65.23 H new ATOM 0 HZ2 LYS A 77 8.027 -16.142 2.235 1.00 65.23 H new ATOM 0 HZ3 LYS A 77 9.095 -15.352 3.293 1.00 65.23 H new ATOM 1092 N HIS A 78 9.606 -13.012 0.725 1.00 73.21 N ATOM 1093 CA HIS A 78 10.301 -13.779 -0.337 1.00 55.42 C ATOM 1094 C HIS A 78 9.820 -15.243 -0.377 1.00 45.41 C ATOM 1095 O HIS A 78 9.443 -15.819 0.653 1.00 54.31 O ATOM 1096 CB HIS A 78 11.829 -13.719 -0.133 1.00 74.15 C ATOM 1097 CG HIS A 78 12.391 -12.329 -0.229 1.00 31.22 C ATOM 1098 ND1 HIS A 78 13.431 -11.888 0.550 1.00 70.44 N ATOM 1099 CD2 HIS A 78 12.067 -11.293 -1.042 1.00 32.42 C ATOM 1100 CE1 HIS A 78 13.715 -10.651 0.238 1.00 61.34 C ATOM 1101 NE2 HIS A 78 12.908 -10.260 -0.726 1.00 61.24 N ATOM 0 H HIS A 78 10.069 -13.043 1.633 1.00 73.21 H new ATOM 0 HA HIS A 78 10.057 -13.320 -1.295 1.00 55.42 H new ATOM 0 HB2 HIS A 78 12.074 -14.135 0.844 1.00 74.15 H new ATOM 0 HB3 HIS A 78 12.312 -14.350 -0.878 1.00 74.15 H new ATOM 0 HD2 HIS A 78 11.293 -11.285 -1.795 1.00 32.42 H new ATOM 0 HE1 HIS A 78 14.485 -10.048 0.696 1.00 61.34 H new ATOM 0 HE2 HIS A 78 12.909 -9.339 -1.165 1.00 61.24 H new ATOM 1110 N GLY A 79 9.796 -15.817 -1.592 1.00 3.20 N ATOM 1111 CA GLY A 79 9.533 -17.248 -1.795 1.00 71.12 C ATOM 1112 C GLY A 79 10.798 -18.029 -2.161 1.00 52.25 C ATOM 1113 O GLY A 79 11.897 -17.686 -1.713 1.00 3.43 O ATOM 0 H GLY A 79 9.958 -15.302 -2.457 1.00 3.20 H new ATOM 0 HA2 GLY A 79 9.101 -17.667 -0.887 1.00 71.12 H new ATOM 0 HA3 GLY A 79 8.793 -17.370 -2.586 1.00 71.12 H new ATOM 1117 N LEU A 80 10.646 -19.089 -2.972 1.00 2.40 N ATOM 1118 CA LEU A 80 11.793 -19.874 -3.488 1.00 41.54 C ATOM 1119 C LEU A 80 12.468 -19.131 -4.673 1.00 64.41 C ATOM 1120 O LEU A 80 11.827 -18.904 -5.708 1.00 41.05 O ATOM 1121 CB LEU A 80 11.326 -21.291 -3.911 1.00 61.12 C ATOM 1122 CG LEU A 80 10.705 -22.177 -2.778 1.00 51.51 C ATOM 1123 CD1 LEU A 80 10.242 -23.544 -3.327 1.00 15.52 C ATOM 1124 CD2 LEU A 80 11.691 -22.354 -1.592 1.00 2.04 C ATOM 0 H LEU A 80 9.738 -19.428 -3.289 1.00 2.40 H new ATOM 0 HA LEU A 80 12.532 -19.983 -2.694 1.00 41.54 H new ATOM 0 HB2 LEU A 80 10.589 -21.186 -4.708 1.00 61.12 H new ATOM 0 HB3 LEU A 80 12.179 -21.822 -4.333 1.00 61.12 H new ATOM 0 HG LEU A 80 9.826 -21.656 -2.400 1.00 51.51 H new ATOM 0 HD11 LEU A 80 9.816 -24.136 -2.517 1.00 15.52 H new ATOM 0 HD12 LEU A 80 9.488 -23.390 -4.099 1.00 15.52 H new ATOM 0 HD13 LEU A 80 11.095 -24.073 -3.753 1.00 15.52 H new ATOM 0 HD21 LEU A 80 11.229 -22.974 -0.824 1.00 2.04 H new ATOM 0 HD22 LEU A 80 12.603 -22.835 -1.946 1.00 2.04 H new ATOM 0 HD23 LEU A 80 11.935 -21.378 -1.173 1.00 2.04 H new ATOM 1136 N GLU A 81 13.757 -18.750 -4.506 1.00 11.52 N ATOM 1137 CA GLU A 81 14.506 -17.954 -5.511 1.00 63.12 C ATOM 1138 C GLU A 81 14.778 -18.762 -6.814 1.00 31.34 C ATOM 1139 O GLU A 81 15.104 -19.952 -6.770 1.00 24.30 O ATOM 1140 CB GLU A 81 15.843 -17.427 -4.910 1.00 2.01 C ATOM 1141 CG GLU A 81 16.815 -18.525 -4.417 1.00 43.12 C ATOM 1142 CD GLU A 81 18.191 -17.977 -3.995 1.00 44.45 C ATOM 1143 OE1 GLU A 81 18.326 -17.474 -2.861 1.00 52.25 O ATOM 1144 OE2 GLU A 81 19.142 -18.039 -4.803 1.00 60.33 O ATOM 0 H GLU A 81 14.305 -18.983 -3.678 1.00 11.52 H new ATOM 0 HA GLU A 81 13.879 -17.104 -5.779 1.00 63.12 H new ATOM 0 HB2 GLU A 81 16.351 -16.825 -5.664 1.00 2.01 H new ATOM 0 HB3 GLU A 81 15.613 -16.765 -4.075 1.00 2.01 H new ATOM 0 HG2 GLU A 81 16.365 -19.046 -3.572 1.00 43.12 H new ATOM 0 HG3 GLU A 81 16.952 -19.261 -5.209 1.00 43.12 H new ATOM 1151 N HIS A 82 14.637 -18.089 -7.970 1.00 50.14 N ATOM 1152 CA HIS A 82 14.802 -18.703 -9.307 1.00 40.50 C ATOM 1153 C HIS A 82 16.081 -18.166 -9.990 1.00 31.41 C ATOM 1154 O HIS A 82 16.082 -17.067 -10.557 1.00 75.14 O ATOM 1155 CB HIS A 82 13.551 -18.410 -10.179 1.00 15.30 C ATOM 1156 CG HIS A 82 12.255 -18.859 -9.552 1.00 42.13 C ATOM 1157 ND1 HIS A 82 11.783 -20.145 -9.653 1.00 51.42 N ATOM 1158 CD2 HIS A 82 11.344 -18.194 -8.802 1.00 20.34 C ATOM 1159 CE1 HIS A 82 10.649 -20.253 -9.003 1.00 64.04 C ATOM 1160 NE2 HIS A 82 10.358 -19.085 -8.477 1.00 63.24 N ATOM 0 H HIS A 82 14.404 -17.097 -8.007 1.00 50.14 H new ATOM 0 HA HIS A 82 14.904 -19.782 -9.193 1.00 40.50 H new ATOM 0 HB2 HIS A 82 13.498 -17.339 -10.374 1.00 15.30 H new ATOM 0 HB3 HIS A 82 13.668 -18.904 -11.144 1.00 15.30 H new ATOM 0 HD2 HIS A 82 11.388 -17.154 -8.514 1.00 20.34 H new ATOM 0 HE1 HIS A 82 10.055 -21.151 -8.915 1.00 64.04 H new ATOM 0 HE2 HIS A 82 9.531 -18.876 -7.917 1.00 63.24 H new ATOM 1169 N HIS A 83 17.187 -18.930 -9.887 1.00 64.11 N ATOM 1170 CA HIS A 83 18.495 -18.577 -10.507 1.00 31.44 C ATOM 1171 C HIS A 83 19.115 -19.793 -11.238 1.00 11.44 C ATOM 1172 O HIS A 83 18.778 -20.943 -10.954 1.00 24.22 O ATOM 1173 CB HIS A 83 19.483 -18.037 -9.437 1.00 30.32 C ATOM 1174 CG HIS A 83 19.030 -16.769 -8.753 1.00 14.24 C ATOM 1175 ND1 HIS A 83 18.745 -16.698 -7.409 1.00 61.11 N ATOM 1176 CD2 HIS A 83 18.805 -15.521 -9.238 1.00 70.51 C ATOM 1177 CE1 HIS A 83 18.373 -15.478 -7.098 1.00 1.11 C ATOM 1178 NE2 HIS A 83 18.402 -14.743 -8.185 1.00 61.11 N ATOM 0 H HIS A 83 17.206 -19.811 -9.373 1.00 64.11 H new ATOM 0 HA HIS A 83 18.311 -17.793 -11.242 1.00 31.44 H new ATOM 0 HB2 HIS A 83 19.638 -18.807 -8.682 1.00 30.32 H new ATOM 0 HB3 HIS A 83 20.448 -17.855 -9.910 1.00 30.32 H new ATOM 0 HD1 HIS A 83 18.813 -17.476 -6.753 1.00 61.11 H new ATOM 0 HD2 HIS A 83 18.922 -15.201 -10.263 1.00 70.51 H new ATOM 0 HE1 HIS A 83 18.091 -15.137 -6.113 1.00 1.11 H new ATOM 1187 N HIS A 84 20.038 -19.512 -12.167 1.00 41.42 N ATOM 1188 CA HIS A 84 20.747 -20.544 -12.967 1.00 3.33 C ATOM 1189 C HIS A 84 22.157 -20.815 -12.393 1.00 73.45 C ATOM 1190 O HIS A 84 22.538 -20.235 -11.373 1.00 42.44 O ATOM 1191 CB HIS A 84 20.819 -20.090 -14.450 1.00 2.14 C ATOM 1192 CG HIS A 84 21.487 -18.746 -14.660 1.00 35.14 C ATOM 1193 ND1 HIS A 84 22.833 -18.609 -14.907 1.00 51.31 N ATOM 1194 CD2 HIS A 84 20.988 -17.483 -14.656 1.00 64.34 C ATOM 1195 CE1 HIS A 84 23.131 -17.338 -15.039 1.00 11.42 C ATOM 1196 NE2 HIS A 84 22.033 -16.632 -14.893 1.00 62.33 N ATOM 0 H HIS A 84 20.322 -18.559 -12.393 1.00 41.42 H new ATOM 0 HA HIS A 84 20.192 -21.481 -12.914 1.00 3.33 H new ATOM 0 HB2 HIS A 84 21.359 -20.844 -15.023 1.00 2.14 H new ATOM 0 HB3 HIS A 84 19.808 -20.047 -14.854 1.00 2.14 H new ATOM 0 HD1 HIS A 84 23.499 -19.379 -14.977 1.00 51.31 H new ATOM 0 HD2 HIS A 84 19.958 -17.202 -14.496 1.00 64.34 H new ATOM 0 HE1 HIS A 84 24.115 -16.939 -15.235 1.00 11.42 H new ATOM 1205 N HIS A 85 22.917 -21.714 -13.046 1.00 41.04 N ATOM 1206 CA HIS A 85 24.320 -22.009 -12.667 1.00 20.23 C ATOM 1207 C HIS A 85 25.248 -20.809 -13.000 1.00 52.23 C ATOM 1208 O HIS A 85 25.111 -20.195 -14.065 1.00 32.23 O ATOM 1209 CB HIS A 85 24.805 -23.283 -13.404 1.00 15.30 C ATOM 1210 CG HIS A 85 26.203 -23.728 -13.033 1.00 13.42 C ATOM 1211 ND1 HIS A 85 27.325 -23.344 -13.727 1.00 70.50 N ATOM 1212 CD2 HIS A 85 26.652 -24.526 -12.027 1.00 75.13 C ATOM 1213 CE1 HIS A 85 28.392 -23.879 -13.174 1.00 32.11 C ATOM 1214 NE2 HIS A 85 28.010 -24.597 -12.145 1.00 31.12 N ATOM 0 H HIS A 85 22.584 -22.254 -13.845 1.00 41.04 H new ATOM 0 HA HIS A 85 24.361 -22.179 -11.591 1.00 20.23 H new ATOM 0 HB2 HIS A 85 24.110 -24.096 -13.193 1.00 15.30 H new ATOM 0 HB3 HIS A 85 24.768 -23.102 -14.478 1.00 15.30 H new ATOM 0 HD2 HIS A 85 26.047 -25.012 -11.276 1.00 75.13 H new ATOM 0 HE1 HIS A 85 29.410 -23.749 -13.510 1.00 32.11 H new ATOM 0 HE2 HIS A 85 28.630 -25.125 -11.530 1.00 31.12 H new ATOM 1223 N HIS A 86 26.194 -20.498 -12.086 1.00 3.20 N ATOM 1224 CA HIS A 86 27.137 -19.369 -12.246 1.00 64.31 C ATOM 1225 C HIS A 86 28.048 -19.570 -13.487 1.00 51.25 C ATOM 1226 O HIS A 86 28.662 -20.633 -13.647 1.00 52.23 O ATOM 1227 CB HIS A 86 27.998 -19.199 -10.964 1.00 24.10 C ATOM 1228 CG HIS A 86 28.912 -17.991 -10.989 1.00 21.35 C ATOM 1229 ND1 HIS A 86 30.160 -18.001 -11.571 1.00 12.53 N ATOM 1230 CD2 HIS A 86 28.740 -16.725 -10.523 1.00 14.05 C ATOM 1231 CE1 HIS A 86 30.708 -16.812 -11.465 1.00 4.02 C ATOM 1232 NE2 HIS A 86 29.872 -16.018 -10.835 1.00 44.05 N ATOM 0 H HIS A 86 26.325 -21.021 -11.220 1.00 3.20 H new ATOM 0 HA HIS A 86 26.553 -18.462 -12.401 1.00 64.31 H new ATOM 0 HB2 HIS A 86 27.336 -19.122 -10.102 1.00 24.10 H new ATOM 0 HB3 HIS A 86 28.602 -20.095 -10.823 1.00 24.10 H new ATOM 0 HD2 HIS A 86 27.872 -16.347 -10.003 1.00 14.05 H new ATOM 0 HE1 HIS A 86 31.684 -16.533 -11.834 1.00 4.02 H new ATOM 0 HE2 HIS A 86 30.038 -15.036 -10.614 1.00 44.05 H new ATOM 1241 N HIS A 87 28.125 -18.530 -14.338 1.00 23.05 N ATOM 1242 CA HIS A 87 28.921 -18.535 -15.589 1.00 72.11 C ATOM 1243 C HIS A 87 30.427 -18.723 -15.308 1.00 23.00 C ATOM 1244 O HIS A 87 30.990 -18.079 -14.421 1.00 2.45 O ATOM 1245 CB HIS A 87 28.665 -17.219 -16.373 1.00 73.22 C ATOM 1246 CG HIS A 87 29.301 -17.168 -17.738 1.00 31.45 C ATOM 1247 ND1 HIS A 87 28.864 -17.945 -18.782 1.00 40.21 N ATOM 1248 CD2 HIS A 87 30.356 -16.461 -18.221 1.00 71.14 C ATOM 1249 CE1 HIS A 87 29.603 -17.714 -19.841 1.00 42.23 C ATOM 1250 NE2 HIS A 87 30.515 -16.823 -19.531 1.00 20.04 N ATOM 0 H HIS A 87 27.633 -17.651 -14.179 1.00 23.05 H new ATOM 0 HA HIS A 87 28.602 -19.383 -16.195 1.00 72.11 H new ATOM 0 HB2 HIS A 87 27.589 -17.080 -16.482 1.00 73.22 H new ATOM 0 HB3 HIS A 87 29.036 -16.382 -15.782 1.00 73.22 H new ATOM 0 HD2 HIS A 87 30.956 -15.748 -17.674 1.00 71.14 H new ATOM 0 HE1 HIS A 87 29.481 -18.180 -20.808 1.00 42.23 H new ATOM 0 HE2 HIS A 87 31.227 -16.459 -20.164 1.00 20.04 H new TER 1259 HIS A 87