USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 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 42 GLN : amide:sc= -0.883 K(o=-2.2,f=-4.3) USER MOD Set 1.2: A 50 MET CE :methyl -148:sc= -1.28 (180deg=-2.2!) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0304) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.07 (180deg=0.988) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= -0.069 (180deg=-1.09!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.914 X(o=-0.91,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0442 (180deg=-0.339) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 1:sc= 0.555 USER MOD Single : A 34 ASN : amide:sc= -0.0754 K(o=-0.075,f=-4.1!) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.0304 (180deg=-0.2) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00571 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0.0294 (180deg=0.00225) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -1.67! (180deg=-3.79!) USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= 0.382 (180deg=-0.69) USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= 0.613 (180deg=0.0327) USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= -0.371 (180deg=-4.01!) USER MOD Single : A 60 ASN : amide:sc= -0.047 K(o=-0.047,f=-0.82) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= 0.817 (180deg=0.389) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -40:sc= 0.411 USER MOD Single : A 72 HIS : no HE2:sc= -0.0415 K(o=-0.042,f=-1.3) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.0053) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 76 HIS : no HD1:sc= 0.0219 K(o=0.022,f=-1.1) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.395 13.200 -3.502 1.00 51.43 N ATOM 2 CA MET A 1 0.284 12.745 -4.912 1.00 32.22 C ATOM 3 C MET A 1 1.394 11.724 -5.270 1.00 21.34 C ATOM 4 O MET A 1 1.717 11.541 -6.450 1.00 41.32 O ATOM 5 CB MET A 1 0.304 13.971 -5.869 1.00 61.04 C ATOM 6 CG MET A 1 1.556 14.849 -5.760 1.00 44.33 C ATOM 7 SD MET A 1 1.569 16.211 -6.942 1.00 41.33 S ATOM 8 CE MET A 1 0.305 17.308 -6.299 1.00 62.25 C ATOM 0 H1 MET A 1 -0.352 13.895 -3.302 1.00 51.43 H new ATOM 0 H2 MET A 1 0.290 12.385 -2.865 1.00 51.43 H new ATOM 0 H3 MET A 1 1.325 13.639 -3.351 1.00 51.43 H new ATOM 0 HA MET A 1 -0.668 12.229 -5.034 1.00 32.22 H new ATOM 0 HB2 MET A 1 0.215 13.615 -6.895 1.00 61.04 H new ATOM 0 HB3 MET A 1 -0.573 14.586 -5.668 1.00 61.04 H new ATOM 0 HG2 MET A 1 1.623 15.252 -4.749 1.00 44.33 H new ATOM 0 HG3 MET A 1 2.440 14.231 -5.916 1.00 44.33 H new ATOM 0 HE1 MET A 1 0.282 18.223 -6.891 1.00 62.25 H new ATOM 0 HE2 MET A 1 -0.666 16.816 -6.354 1.00 62.25 H new ATOM 0 HE3 MET A 1 0.530 17.553 -5.261 1.00 62.25 H new ATOM 20 N VAL A 2 1.969 11.050 -4.248 1.00 62.41 N ATOM 21 CA VAL A 2 3.000 10.011 -4.454 1.00 63.33 C ATOM 22 C VAL A 2 2.308 8.668 -4.794 1.00 41.41 C ATOM 23 O VAL A 2 1.637 8.066 -3.949 1.00 34.22 O ATOM 24 CB VAL A 2 3.942 9.854 -3.200 1.00 20.13 C ATOM 25 CG1 VAL A 2 5.063 8.809 -3.455 1.00 44.43 C ATOM 26 CG2 VAL A 2 4.536 11.225 -2.784 1.00 23.34 C ATOM 0 H VAL A 2 1.734 11.209 -3.268 1.00 62.41 H new ATOM 0 HA VAL A 2 3.635 10.318 -5.285 1.00 63.33 H new ATOM 0 HB VAL A 2 3.336 9.482 -2.374 1.00 20.13 H new ATOM 0 HG11 VAL A 2 5.693 8.727 -2.569 1.00 44.43 H new ATOM 0 HG12 VAL A 2 4.614 7.840 -3.672 1.00 44.43 H new ATOM 0 HG13 VAL A 2 5.670 9.126 -4.303 1.00 44.43 H new ATOM 0 HG21 VAL A 2 5.183 11.093 -1.917 1.00 23.34 H new ATOM 0 HG22 VAL A 2 5.116 11.636 -3.610 1.00 23.34 H new ATOM 0 HG23 VAL A 2 3.727 11.911 -2.532 1.00 23.34 H new ATOM 36 N ASP A 3 2.488 8.227 -6.040 1.00 31.33 N ATOM 37 CA ASP A 3 1.824 7.043 -6.605 1.00 63.31 C ATOM 38 C ASP A 3 2.621 5.766 -6.239 1.00 24.24 C ATOM 39 O ASP A 3 3.671 5.489 -6.831 1.00 72.11 O ATOM 40 CB ASP A 3 1.726 7.224 -8.149 1.00 11.44 C ATOM 41 CG ASP A 3 0.886 6.146 -8.862 1.00 24.12 C ATOM 42 OD1 ASP A 3 1.398 5.032 -9.125 1.00 64.01 O ATOM 43 OD2 ASP A 3 -0.289 6.417 -9.185 1.00 73.24 O ATOM 0 H ASP A 3 3.112 8.690 -6.701 1.00 31.33 H new ATOM 0 HA ASP A 3 0.821 6.935 -6.193 1.00 63.31 H new ATOM 0 HB2 ASP A 3 1.296 8.203 -8.362 1.00 11.44 H new ATOM 0 HB3 ASP A 3 2.732 7.220 -8.568 1.00 11.44 H new ATOM 48 N LEU A 4 2.126 5.009 -5.247 1.00 1.23 N ATOM 49 CA LEU A 4 2.733 3.741 -4.807 1.00 74.22 C ATOM 50 C LEU A 4 1.938 2.564 -5.390 1.00 63.41 C ATOM 51 O LEU A 4 0.812 2.319 -4.984 1.00 1.14 O ATOM 52 CB LEU A 4 2.746 3.686 -3.249 1.00 51.41 C ATOM 53 CG LEU A 4 3.507 4.850 -2.540 1.00 35.41 C ATOM 54 CD1 LEU A 4 3.400 4.751 -1.002 1.00 3.22 C ATOM 55 CD2 LEU A 4 4.977 4.905 -3.004 1.00 75.23 C ATOM 0 H LEU A 4 1.288 5.261 -4.724 1.00 1.23 H new ATOM 0 HA LEU A 4 3.760 3.675 -5.165 1.00 74.22 H new ATOM 0 HB2 LEU A 4 1.715 3.681 -2.895 1.00 51.41 H new ATOM 0 HB3 LEU A 4 3.194 2.742 -2.940 1.00 51.41 H new ATOM 0 HG LEU A 4 3.028 5.785 -2.831 1.00 35.41 H new ATOM 0 HD11 LEU A 4 3.943 5.579 -0.545 1.00 3.22 H new ATOM 0 HD12 LEU A 4 2.352 4.797 -0.706 1.00 3.22 H new ATOM 0 HD13 LEU A 4 3.830 3.807 -0.667 1.00 3.22 H new ATOM 0 HD21 LEU A 4 5.488 5.724 -2.497 1.00 75.23 H new ATOM 0 HD22 LEU A 4 5.470 3.964 -2.762 1.00 75.23 H new ATOM 0 HD23 LEU A 4 5.013 5.067 -4.081 1.00 75.23 H new ATOM 67 N LYS A 5 2.541 1.839 -6.336 1.00 54.31 N ATOM 68 CA LYS A 5 1.929 0.654 -6.967 1.00 33.11 C ATOM 69 C LYS A 5 2.613 -0.598 -6.386 1.00 70.22 C ATOM 70 O LYS A 5 3.788 -0.862 -6.666 1.00 11.10 O ATOM 71 CB LYS A 5 2.073 0.740 -8.508 1.00 43.40 C ATOM 72 CG LYS A 5 1.406 -0.419 -9.284 1.00 22.10 C ATOM 73 CD LYS A 5 1.518 -0.248 -10.819 1.00 51.04 C ATOM 74 CE LYS A 5 0.848 -1.390 -11.614 1.00 33.24 C ATOM 75 NZ LYS A 5 1.590 -2.676 -11.501 1.00 1.11 N ATOM 0 H LYS A 5 3.473 2.054 -6.691 1.00 54.31 H new ATOM 0 HA LYS A 5 0.861 0.603 -6.755 1.00 33.11 H new ATOM 0 HB2 LYS A 5 1.642 1.682 -8.848 1.00 43.40 H new ATOM 0 HB3 LYS A 5 3.133 0.765 -8.760 1.00 43.40 H new ATOM 0 HG2 LYS A 5 1.870 -1.361 -8.992 1.00 22.10 H new ATOM 0 HG3 LYS A 5 0.354 -0.481 -9.005 1.00 22.10 H new ATOM 0 HD2 LYS A 5 1.063 0.700 -11.106 1.00 51.04 H new ATOM 0 HD3 LYS A 5 2.571 -0.192 -11.095 1.00 51.04 H new ATOM 0 HE2 LYS A 5 -0.171 -1.530 -11.254 1.00 33.24 H new ATOM 0 HE3 LYS A 5 0.779 -1.105 -12.664 1.00 33.24 H new ATOM 0 HZ1 LYS A 5 0.934 -3.469 -11.648 1.00 1.11 H new ATOM 0 HZ2 LYS A 5 2.339 -2.709 -12.221 1.00 1.11 H new ATOM 0 HZ3 LYS A 5 2.016 -2.749 -10.555 1.00 1.11 H new ATOM 89 N ILE A 6 1.878 -1.345 -5.554 1.00 23.41 N ATOM 90 CA ILE A 6 2.418 -2.427 -4.718 1.00 14.24 C ATOM 91 C ILE A 6 2.092 -3.791 -5.336 1.00 25.13 C ATOM 92 O ILE A 6 0.923 -4.125 -5.441 1.00 12.31 O ATOM 93 CB ILE A 6 1.783 -2.376 -3.279 1.00 53.32 C ATOM 94 CG1 ILE A 6 1.983 -0.975 -2.597 1.00 32.25 C ATOM 95 CG2 ILE A 6 2.325 -3.529 -2.400 1.00 4.42 C ATOM 96 CD1 ILE A 6 3.426 -0.541 -2.424 1.00 51.14 C ATOM 0 H ILE A 6 0.873 -1.213 -5.440 1.00 23.41 H new ATOM 0 HA ILE A 6 3.498 -2.293 -4.655 1.00 14.24 H new ATOM 0 HB ILE A 6 0.707 -2.516 -3.386 1.00 53.32 H new ATOM 0 HG12 ILE A 6 1.463 -0.223 -3.190 1.00 32.25 H new ATOM 0 HG13 ILE A 6 1.506 -0.994 -1.617 1.00 32.25 H new ATOM 0 HG21 ILE A 6 1.873 -3.475 -1.410 1.00 4.42 H new ATOM 0 HG22 ILE A 6 2.077 -4.485 -2.860 1.00 4.42 H new ATOM 0 HG23 ILE A 6 3.408 -3.440 -2.310 1.00 4.42 H new ATOM 0 HD11 ILE A 6 3.457 0.437 -1.945 1.00 51.14 H new ATOM 0 HD12 ILE A 6 3.952 -1.266 -1.803 1.00 51.14 H new ATOM 0 HD13 ILE A 6 3.908 -0.482 -3.400 1.00 51.14 H new ATOM 108 N ASP A 7 3.106 -4.586 -5.717 1.00 31.44 N ATOM 109 CA ASP A 7 2.884 -5.973 -6.164 1.00 22.14 C ATOM 110 C ASP A 7 2.316 -6.805 -5.003 1.00 61.12 C ATOM 111 O ASP A 7 2.919 -6.838 -3.928 1.00 10.42 O ATOM 112 CB ASP A 7 4.208 -6.598 -6.672 1.00 10.34 C ATOM 113 CG ASP A 7 4.030 -8.036 -7.206 1.00 72.33 C ATOM 114 OD1 ASP A 7 4.105 -9.001 -6.419 1.00 12.55 O ATOM 115 OD2 ASP A 7 3.786 -8.208 -8.417 1.00 24.15 O ATOM 0 H ASP A 7 4.083 -4.294 -5.725 1.00 31.44 H new ATOM 0 HA ASP A 7 2.169 -5.969 -6.987 1.00 22.14 H new ATOM 0 HB2 ASP A 7 4.620 -5.971 -7.463 1.00 10.34 H new ATOM 0 HB3 ASP A 7 4.935 -6.605 -5.860 1.00 10.34 H new ATOM 120 N VAL A 8 1.155 -7.453 -5.221 1.00 71.52 N ATOM 121 CA VAL A 8 0.554 -8.409 -4.271 1.00 13.23 C ATOM 122 C VAL A 8 0.243 -9.707 -5.043 1.00 22.20 C ATOM 123 O VAL A 8 -0.455 -9.691 -6.062 1.00 5.03 O ATOM 124 CB VAL A 8 -0.743 -7.850 -3.536 1.00 43.55 C ATOM 125 CG1 VAL A 8 -0.376 -6.684 -2.587 1.00 42.32 C ATOM 126 CG2 VAL A 8 -1.854 -7.416 -4.525 1.00 74.13 C ATOM 0 H VAL A 8 0.603 -7.326 -6.069 1.00 71.52 H new ATOM 0 HA VAL A 8 1.269 -8.593 -3.469 1.00 13.23 H new ATOM 0 HB VAL A 8 -1.147 -8.674 -2.948 1.00 43.55 H new ATOM 0 HG11 VAL A 8 -1.277 -6.317 -2.095 1.00 42.32 H new ATOM 0 HG12 VAL A 8 0.330 -7.036 -1.835 1.00 42.32 H new ATOM 0 HG13 VAL A 8 0.078 -5.876 -3.161 1.00 42.32 H new ATOM 0 HG21 VAL A 8 -2.713 -7.044 -3.967 1.00 74.13 H new ATOM 0 HG22 VAL A 8 -1.475 -6.628 -5.175 1.00 74.13 H new ATOM 0 HG23 VAL A 8 -2.157 -8.271 -5.130 1.00 74.13 H new ATOM 136 N SER A 9 0.806 -10.824 -4.564 1.00 52.31 N ATOM 137 CA SER A 9 0.665 -12.140 -5.207 1.00 14.24 C ATOM 138 C SER A 9 -0.712 -12.759 -4.882 1.00 53.14 C ATOM 139 O SER A 9 -1.273 -13.505 -5.685 1.00 73.53 O ATOM 140 CB SER A 9 1.826 -13.066 -4.757 1.00 0.44 C ATOM 141 OG SER A 9 1.852 -14.279 -5.491 1.00 50.35 O ATOM 0 H SER A 9 1.374 -10.842 -3.717 1.00 52.31 H new ATOM 0 HA SER A 9 0.720 -12.021 -6.289 1.00 14.24 H new ATOM 0 HB2 SER A 9 2.775 -12.545 -4.883 1.00 0.44 H new ATOM 0 HB3 SER A 9 1.723 -13.287 -3.695 1.00 0.44 H new ATOM 0 HG SER A 9 2.597 -14.834 -5.180 1.00 50.35 H new ATOM 147 N ASP A 10 -1.256 -12.413 -3.703 1.00 43.42 N ATOM 148 CA ASP A 10 -2.544 -12.956 -3.214 1.00 3.12 C ATOM 149 C ASP A 10 -3.648 -11.887 -3.285 1.00 1.21 C ATOM 150 O ASP A 10 -3.375 -10.680 -3.235 1.00 5.24 O ATOM 151 CB ASP A 10 -2.401 -13.470 -1.754 1.00 53.24 C ATOM 152 CG ASP A 10 -1.378 -14.608 -1.612 1.00 72.24 C ATOM 153 OD1 ASP A 10 -0.166 -14.330 -1.505 1.00 11.23 O ATOM 154 OD2 ASP A 10 -1.778 -15.789 -1.629 1.00 31.02 O ATOM 0 H ASP A 10 -0.820 -11.751 -3.061 1.00 43.42 H new ATOM 0 HA ASP A 10 -2.823 -13.791 -3.857 1.00 3.12 H new ATOM 0 HB2 ASP A 10 -2.105 -12.641 -1.111 1.00 53.24 H new ATOM 0 HB3 ASP A 10 -3.372 -13.817 -1.401 1.00 53.24 H new ATOM 159 N ASP A 11 -4.896 -12.363 -3.354 1.00 3.34 N ATOM 160 CA ASP A 11 -6.101 -11.513 -3.323 1.00 24.41 C ATOM 161 C ASP A 11 -6.441 -11.174 -1.855 1.00 25.41 C ATOM 162 O ASP A 11 -6.933 -10.085 -1.541 1.00 52.22 O ATOM 163 CB ASP A 11 -7.280 -12.244 -4.012 1.00 22.25 C ATOM 164 CG ASP A 11 -8.608 -11.464 -3.945 1.00 42.50 C ATOM 165 OD1 ASP A 11 -8.731 -10.431 -4.635 1.00 3.54 O ATOM 166 OD2 ASP A 11 -9.511 -11.859 -3.173 1.00 55.50 O ATOM 0 H ASP A 11 -5.105 -13.358 -3.434 1.00 3.34 H new ATOM 0 HA ASP A 11 -5.917 -10.586 -3.865 1.00 24.41 H new ATOM 0 HB2 ASP A 11 -7.025 -12.424 -5.056 1.00 22.25 H new ATOM 0 HB3 ASP A 11 -7.416 -13.219 -3.544 1.00 22.25 H new ATOM 171 N GLU A 12 -6.169 -12.157 -0.973 1.00 23.31 N ATOM 172 CA GLU A 12 -6.221 -11.995 0.491 1.00 13.34 C ATOM 173 C GLU A 12 -5.260 -10.889 0.949 1.00 30.42 C ATOM 174 O GLU A 12 -5.597 -10.089 1.828 1.00 43.05 O ATOM 175 CB GLU A 12 -5.834 -13.325 1.185 1.00 63.22 C ATOM 176 CG GLU A 12 -5.809 -13.253 2.732 1.00 22.24 C ATOM 177 CD GLU A 12 -5.161 -14.476 3.381 1.00 32.44 C ATOM 178 OE1 GLU A 12 -5.856 -15.489 3.601 1.00 3.30 O ATOM 179 OE2 GLU A 12 -3.938 -14.440 3.647 1.00 74.11 O ATOM 0 H GLU A 12 -5.904 -13.098 -1.263 1.00 23.31 H new ATOM 0 HA GLU A 12 -7.239 -11.718 0.767 1.00 13.34 H new ATOM 0 HB2 GLU A 12 -6.539 -14.099 0.880 1.00 63.22 H new ATOM 0 HB3 GLU A 12 -4.850 -13.633 0.831 1.00 63.22 H new ATOM 0 HG2 GLU A 12 -5.269 -12.358 3.039 1.00 22.24 H new ATOM 0 HG3 GLU A 12 -6.830 -13.152 3.101 1.00 22.24 H new ATOM 186 N GLU A 13 -4.058 -10.865 0.319 1.00 32.14 N ATOM 187 CA GLU A 13 -2.992 -9.916 0.653 1.00 13.34 C ATOM 188 C GLU A 13 -3.485 -8.484 0.486 1.00 2.33 C ATOM 189 O GLU A 13 -3.176 -7.619 1.301 1.00 51.54 O ATOM 190 CB GLU A 13 -1.743 -10.127 -0.236 1.00 25.12 C ATOM 191 CG GLU A 13 -0.483 -9.375 0.260 1.00 21.32 C ATOM 192 CD GLU A 13 0.202 -10.064 1.460 1.00 42.14 C ATOM 193 OE1 GLU A 13 -0.303 -9.968 2.602 1.00 13.14 O ATOM 194 OE2 GLU A 13 1.241 -10.728 1.251 1.00 74.42 O ATOM 0 H GLU A 13 -3.811 -11.508 -0.434 1.00 32.14 H new ATOM 0 HA GLU A 13 -2.714 -10.094 1.692 1.00 13.34 H new ATOM 0 HB2 GLU A 13 -1.521 -11.193 -0.286 1.00 25.12 H new ATOM 0 HB3 GLU A 13 -1.972 -9.801 -1.251 1.00 25.12 H new ATOM 0 HG2 GLU A 13 0.230 -9.294 -0.560 1.00 21.32 H new ATOM 0 HG3 GLU A 13 -0.761 -8.360 0.542 1.00 21.32 H new ATOM 201 N ALA A 14 -4.278 -8.275 -0.581 1.00 62.52 N ATOM 202 CA ALA A 14 -4.843 -6.976 -0.923 1.00 14.41 C ATOM 203 C ALA A 14 -5.645 -6.386 0.249 1.00 73.35 C ATOM 204 O ALA A 14 -5.495 -5.208 0.558 1.00 24.31 O ATOM 205 CB ALA A 14 -5.698 -7.095 -2.196 1.00 31.31 C ATOM 0 H ALA A 14 -4.541 -9.016 -1.230 1.00 62.52 H new ATOM 0 HA ALA A 14 -4.026 -6.283 -1.123 1.00 14.41 H new ATOM 0 HB1 ALA A 14 -6.117 -6.120 -2.445 1.00 31.31 H new ATOM 0 HB2 ALA A 14 -5.076 -7.444 -3.020 1.00 31.31 H new ATOM 0 HB3 ALA A 14 -6.507 -7.805 -2.026 1.00 31.31 H new ATOM 211 N GLU A 15 -6.468 -7.235 0.911 1.00 65.10 N ATOM 212 CA GLU A 15 -7.229 -6.841 2.118 1.00 11.41 C ATOM 213 C GLU A 15 -6.288 -6.367 3.232 1.00 3.35 C ATOM 214 O GLU A 15 -6.508 -5.327 3.850 1.00 41.11 O ATOM 215 CB GLU A 15 -8.079 -8.034 2.637 1.00 42.35 C ATOM 216 CG GLU A 15 -9.123 -8.560 1.639 1.00 50.32 C ATOM 217 CD GLU A 15 -10.092 -7.468 1.176 1.00 54.11 C ATOM 218 OE1 GLU A 15 -11.042 -7.141 1.923 1.00 72.10 O ATOM 219 OE2 GLU A 15 -9.892 -6.903 0.089 1.00 4.20 O ATOM 0 H GLU A 15 -6.621 -8.202 0.626 1.00 65.10 H new ATOM 0 HA GLU A 15 -7.888 -6.019 1.840 1.00 11.41 H new ATOM 0 HB2 GLU A 15 -7.409 -8.851 2.905 1.00 42.35 H new ATOM 0 HB3 GLU A 15 -8.590 -7.728 3.550 1.00 42.35 H new ATOM 0 HG2 GLU A 15 -8.613 -8.981 0.772 1.00 50.32 H new ATOM 0 HG3 GLU A 15 -9.687 -9.370 2.101 1.00 50.32 H new ATOM 226 N LYS A 16 -5.222 -7.147 3.431 1.00 30.33 N ATOM 227 CA LYS A 16 -4.255 -6.954 4.514 1.00 73.10 C ATOM 228 C LYS A 16 -3.452 -5.646 4.326 1.00 53.20 C ATOM 229 O LYS A 16 -3.041 -5.035 5.311 1.00 13.21 O ATOM 230 CB LYS A 16 -3.319 -8.180 4.572 1.00 63.12 C ATOM 231 CG LYS A 16 -4.046 -9.540 4.739 1.00 54.44 C ATOM 232 CD LYS A 16 -3.086 -10.746 4.592 1.00 60.43 C ATOM 233 CE LYS A 16 -1.990 -10.780 5.670 1.00 74.33 C ATOM 234 NZ LYS A 16 -1.001 -11.860 5.419 1.00 2.52 N ATOM 0 H LYS A 16 -5.003 -7.944 2.833 1.00 30.33 H new ATOM 0 HA LYS A 16 -4.789 -6.862 5.459 1.00 73.10 H new ATOM 0 HB2 LYS A 16 -2.725 -8.210 3.659 1.00 63.12 H new ATOM 0 HB3 LYS A 16 -2.623 -8.051 5.401 1.00 63.12 H new ATOM 0 HG2 LYS A 16 -4.522 -9.576 5.719 1.00 54.44 H new ATOM 0 HG3 LYS A 16 -4.839 -9.618 3.996 1.00 54.44 H new ATOM 0 HD2 LYS A 16 -3.663 -11.670 4.640 1.00 60.43 H new ATOM 0 HD3 LYS A 16 -2.618 -10.713 3.608 1.00 60.43 H new ATOM 0 HE2 LYS A 16 -1.478 -9.818 5.698 1.00 74.33 H new ATOM 0 HE3 LYS A 16 -2.447 -10.926 6.649 1.00 74.33 H new ATOM 0 HZ1 LYS A 16 -0.279 -11.850 6.167 1.00 2.52 H new ATOM 0 HZ2 LYS A 16 -1.485 -12.780 5.417 1.00 2.52 H new ATOM 0 HZ3 LYS A 16 -0.546 -11.706 4.497 1.00 2.52 H new ATOM 248 N ILE A 17 -3.253 -5.222 3.056 1.00 72.43 N ATOM 249 CA ILE A 17 -2.536 -3.968 2.738 1.00 32.43 C ATOM 250 C ILE A 17 -3.473 -2.765 2.919 1.00 63.01 C ATOM 251 O ILE A 17 -3.129 -1.803 3.606 1.00 74.43 O ATOM 252 CB ILE A 17 -1.961 -3.953 1.268 1.00 53.42 C ATOM 253 CG1 ILE A 17 -1.103 -5.220 0.983 1.00 34.01 C ATOM 254 CG2 ILE A 17 -1.137 -2.664 0.997 1.00 2.33 C ATOM 255 CD1 ILE A 17 0.057 -5.423 1.930 1.00 12.43 C ATOM 0 H ILE A 17 -3.580 -5.732 2.235 1.00 72.43 H new ATOM 0 HA ILE A 17 -1.694 -3.905 3.427 1.00 32.43 H new ATOM 0 HB ILE A 17 -2.812 -3.960 0.587 1.00 53.42 H new ATOM 0 HG12 ILE A 17 -1.749 -6.097 1.028 1.00 34.01 H new ATOM 0 HG13 ILE A 17 -0.717 -5.160 -0.035 1.00 34.01 H new ATOM 0 HG21 ILE A 17 -0.755 -2.684 -0.024 1.00 2.33 H new ATOM 0 HG22 ILE A 17 -1.775 -1.790 1.128 1.00 2.33 H new ATOM 0 HG23 ILE A 17 -0.302 -2.612 1.696 1.00 2.33 H new ATOM 0 HD11 ILE A 17 0.597 -6.329 1.655 1.00 12.43 H new ATOM 0 HD12 ILE A 17 0.730 -4.567 1.870 1.00 12.43 H new ATOM 0 HD13 ILE A 17 -0.318 -5.519 2.949 1.00 12.43 H new ATOM 267 N ILE A 18 -4.681 -2.864 2.311 1.00 35.23 N ATOM 268 CA ILE A 18 -5.682 -1.779 2.298 1.00 13.03 C ATOM 269 C ILE A 18 -6.071 -1.370 3.733 1.00 25.13 C ATOM 270 O ILE A 18 -6.006 -0.192 4.072 1.00 63.03 O ATOM 271 CB ILE A 18 -6.963 -2.196 1.469 1.00 64.24 C ATOM 272 CG1 ILE A 18 -6.596 -2.394 -0.041 1.00 74.13 C ATOM 273 CG2 ILE A 18 -8.117 -1.176 1.636 1.00 54.11 C ATOM 274 CD1 ILE A 18 -7.745 -2.810 -0.952 1.00 4.54 C ATOM 0 H ILE A 18 -4.985 -3.702 1.816 1.00 35.23 H new ATOM 0 HA ILE A 18 -5.230 -0.916 1.809 1.00 13.03 H new ATOM 0 HB ILE A 18 -7.320 -3.146 1.866 1.00 64.24 H new ATOM 0 HG12 ILE A 18 -6.176 -1.462 -0.419 1.00 74.13 H new ATOM 0 HG13 ILE A 18 -5.811 -3.148 -0.109 1.00 74.13 H new ATOM 0 HG21 ILE A 18 -8.977 -1.501 1.050 1.00 54.11 H new ATOM 0 HG22 ILE A 18 -8.397 -1.113 2.687 1.00 54.11 H new ATOM 0 HG23 ILE A 18 -7.790 -0.196 1.288 1.00 54.11 H new ATOM 0 HD11 ILE A 18 -7.379 -2.918 -1.973 1.00 4.54 H new ATOM 0 HD12 ILE A 18 -8.154 -3.761 -0.610 1.00 4.54 H new ATOM 0 HD13 ILE A 18 -8.525 -2.049 -0.925 1.00 4.54 H new ATOM 286 N ARG A 19 -6.413 -2.372 4.562 1.00 11.13 N ATOM 287 CA ARG A 19 -6.836 -2.164 5.965 1.00 22.03 C ATOM 288 C ARG A 19 -5.702 -1.573 6.813 1.00 53.31 C ATOM 289 O ARG A 19 -5.949 -0.711 7.660 1.00 21.31 O ATOM 290 CB ARG A 19 -7.320 -3.499 6.576 1.00 42.45 C ATOM 291 CG ARG A 19 -8.602 -4.062 5.929 1.00 34.53 C ATOM 292 CD ARG A 19 -9.031 -5.398 6.552 1.00 0.14 C ATOM 293 NE ARG A 19 -9.305 -5.279 7.998 1.00 53.20 N ATOM 294 CZ ARG A 19 -10.181 -6.031 8.689 1.00 54.02 C ATOM 295 NH1 ARG A 19 -10.917 -6.970 8.086 1.00 34.34 N ATOM 296 NH2 ARG A 19 -10.300 -5.853 9.995 1.00 24.53 N ATOM 0 H ARG A 19 -6.405 -3.352 4.281 1.00 11.13 H new ATOM 0 HA ARG A 19 -7.659 -1.449 5.965 1.00 22.03 H new ATOM 0 HB2 ARG A 19 -6.524 -4.238 6.482 1.00 42.45 H new ATOM 0 HB3 ARG A 19 -7.497 -3.355 7.642 1.00 42.45 H new ATOM 0 HG2 ARG A 19 -9.409 -3.337 6.037 1.00 34.53 H new ATOM 0 HG3 ARG A 19 -8.437 -4.198 4.860 1.00 34.53 H new ATOM 0 HD2 ARG A 19 -9.924 -5.763 6.044 1.00 0.14 H new ATOM 0 HD3 ARG A 19 -8.248 -6.139 6.393 1.00 0.14 H new ATOM 0 HE ARG A 19 -8.788 -4.568 8.516 1.00 53.20 H new ATOM 0 HH11 ARG A 19 -10.820 -7.128 7.083 1.00 34.34 H new ATOM 0 HH12 ARG A 19 -11.575 -7.529 8.629 1.00 34.34 H new ATOM 0 HH21 ARG A 19 -9.731 -5.151 10.468 1.00 24.53 H new ATOM 0 HH22 ARG A 19 -10.961 -6.418 10.529 1.00 24.53 H new ATOM 310 N GLU A 20 -4.463 -2.044 6.552 1.00 51.41 N ATOM 311 CA GLU A 20 -3.252 -1.559 7.235 1.00 51.12 C ATOM 312 C GLU A 20 -3.086 -0.045 7.002 1.00 40.23 C ATOM 313 O GLU A 20 -2.959 0.731 7.949 1.00 31.14 O ATOM 314 CB GLU A 20 -2.008 -2.323 6.716 1.00 34.12 C ATOM 315 CG GLU A 20 -0.671 -1.966 7.410 1.00 11.05 C ATOM 316 CD GLU A 20 -0.594 -2.416 8.878 1.00 14.31 C ATOM 317 OE1 GLU A 20 -0.486 -3.640 9.128 1.00 74.22 O ATOM 318 OE2 GLU A 20 -0.651 -1.567 9.792 1.00 12.54 O ATOM 0 H GLU A 20 -4.278 -2.771 5.861 1.00 51.41 H new ATOM 0 HA GLU A 20 -3.351 -1.739 8.305 1.00 51.12 H new ATOM 0 HB2 GLU A 20 -2.184 -3.392 6.833 1.00 34.12 H new ATOM 0 HB3 GLU A 20 -1.905 -2.132 5.648 1.00 34.12 H new ATOM 0 HG2 GLU A 20 0.149 -2.424 6.856 1.00 11.05 H new ATOM 0 HG3 GLU A 20 -0.525 -0.887 7.362 1.00 11.05 H new ATOM 325 N ILE A 21 -3.146 0.351 5.719 1.00 24.20 N ATOM 326 CA ILE A 21 -2.973 1.743 5.301 1.00 15.33 C ATOM 327 C ILE A 21 -4.133 2.623 5.822 1.00 23.14 C ATOM 328 O ILE A 21 -3.894 3.711 6.322 1.00 43.43 O ATOM 329 CB ILE A 21 -2.846 1.867 3.730 1.00 33.43 C ATOM 330 CG1 ILE A 21 -1.647 1.014 3.187 1.00 61.44 C ATOM 331 CG2 ILE A 21 -2.714 3.346 3.281 1.00 2.30 C ATOM 332 CD1 ILE A 21 -0.277 1.392 3.728 1.00 34.44 C ATOM 0 H ILE A 21 -3.316 -0.291 4.945 1.00 24.20 H new ATOM 0 HA ILE A 21 -2.042 2.102 5.740 1.00 15.33 H new ATOM 0 HB ILE A 21 -3.767 1.471 3.302 1.00 33.43 H new ATOM 0 HG12 ILE A 21 -1.834 -0.034 3.421 1.00 61.44 H new ATOM 0 HG13 ILE A 21 -1.626 1.099 2.101 1.00 61.44 H new ATOM 0 HG21 ILE A 21 -2.629 3.390 2.195 1.00 2.30 H new ATOM 0 HG22 ILE A 21 -3.595 3.903 3.599 1.00 2.30 H new ATOM 0 HG23 ILE A 21 -1.825 3.785 3.733 1.00 2.30 H new ATOM 0 HD11 ILE A 21 0.480 0.742 3.289 1.00 34.44 H new ATOM 0 HD12 ILE A 21 -0.058 2.428 3.471 1.00 34.44 H new ATOM 0 HD13 ILE A 21 -0.270 1.277 4.812 1.00 34.44 H new ATOM 344 N ARG A 22 -5.375 2.113 5.746 1.00 12.33 N ATOM 345 CA ARG A 22 -6.591 2.883 6.094 1.00 63.43 C ATOM 346 C ARG A 22 -6.676 3.247 7.590 1.00 3.42 C ATOM 347 O ARG A 22 -7.151 4.339 7.924 1.00 63.44 O ATOM 348 CB ARG A 22 -7.874 2.120 5.655 1.00 5.10 C ATOM 349 CG ARG A 22 -8.177 2.188 4.141 1.00 63.32 C ATOM 350 CD ARG A 22 -8.473 3.624 3.659 1.00 64.43 C ATOM 351 NE ARG A 22 -8.897 3.644 2.254 1.00 34.34 N ATOM 352 CZ ARG A 22 -9.348 4.720 1.592 1.00 55.20 C ATOM 353 NH1 ARG A 22 -9.452 5.905 2.181 1.00 23.30 N ATOM 354 NH2 ARG A 22 -9.717 4.599 0.330 1.00 24.53 N ATOM 0 H ARG A 22 -5.568 1.158 5.443 1.00 12.33 H new ATOM 0 HA ARG A 22 -6.520 3.822 5.545 1.00 63.43 H new ATOM 0 HB2 ARG A 22 -7.776 1.074 5.946 1.00 5.10 H new ATOM 0 HB3 ARG A 22 -8.726 2.524 6.201 1.00 5.10 H new ATOM 0 HG2 ARG A 22 -7.327 1.790 3.586 1.00 63.32 H new ATOM 0 HG3 ARG A 22 -9.032 1.550 3.916 1.00 63.32 H new ATOM 0 HD2 ARG A 22 -9.252 4.064 4.281 1.00 64.43 H new ATOM 0 HD3 ARG A 22 -7.582 4.240 3.780 1.00 64.43 H new ATOM 0 HE ARG A 22 -8.844 2.766 1.738 1.00 34.34 H new ATOM 0 HH11 ARG A 22 -9.186 6.013 3.160 1.00 23.30 H new ATOM 0 HH12 ARG A 22 -9.798 6.707 1.655 1.00 23.30 H new ATOM 0 HH21 ARG A 22 -9.658 3.693 -0.134 1.00 24.53 H new ATOM 0 HH22 ARG A 22 -10.061 5.412 -0.181 1.00 24.53 H new ATOM 368 N GLU A 23 -6.218 2.351 8.482 1.00 34.31 N ATOM 369 CA GLU A 23 -6.360 2.546 9.944 1.00 3.00 C ATOM 370 C GLU A 23 -5.421 3.649 10.469 1.00 33.25 C ATOM 371 O GLU A 23 -5.754 4.338 11.440 1.00 74.25 O ATOM 372 CB GLU A 23 -6.135 1.214 10.704 1.00 71.14 C ATOM 373 CG GLU A 23 -7.287 0.199 10.530 1.00 0.51 C ATOM 374 CD GLU A 23 -7.096 -1.081 11.361 1.00 60.20 C ATOM 375 OE1 GLU A 23 -7.201 -1.005 12.607 1.00 34.22 O ATOM 376 OE2 GLU A 23 -6.833 -2.153 10.783 1.00 15.51 O ATOM 0 H GLU A 23 -5.747 1.485 8.221 1.00 34.31 H new ATOM 0 HA GLU A 23 -7.382 2.876 10.131 1.00 3.00 H new ATOM 0 HB2 GLU A 23 -5.207 0.760 10.357 1.00 71.14 H new ATOM 0 HB3 GLU A 23 -6.008 1.428 11.765 1.00 71.14 H new ATOM 0 HG2 GLU A 23 -8.226 0.673 10.815 1.00 0.51 H new ATOM 0 HG3 GLU A 23 -7.371 -0.068 9.477 1.00 0.51 H new ATOM 383 N GLN A 24 -4.249 3.803 9.835 1.00 70.22 N ATOM 384 CA GLN A 24 -3.308 4.906 10.145 1.00 62.25 C ATOM 385 C GLN A 24 -3.639 6.142 9.280 1.00 22.42 C ATOM 386 O GLN A 24 -3.464 7.287 9.718 1.00 3.31 O ATOM 387 CB GLN A 24 -1.833 4.456 9.910 1.00 23.23 C ATOM 388 CG GLN A 24 -1.248 3.464 10.952 1.00 35.41 C ATOM 389 CD GLN A 24 -1.923 2.088 10.952 1.00 64.11 C ATOM 390 OE1 GLN A 24 -2.878 1.835 11.694 1.00 12.43 O ATOM 391 NE2 GLN A 24 -1.444 1.199 10.109 1.00 22.51 N ATOM 0 H GLN A 24 -3.923 3.177 9.099 1.00 70.22 H new ATOM 0 HA GLN A 24 -3.418 5.171 11.196 1.00 62.25 H new ATOM 0 HB2 GLN A 24 -1.767 3.996 8.924 1.00 23.23 H new ATOM 0 HB3 GLN A 24 -1.202 5.345 9.890 1.00 23.23 H new ATOM 0 HG2 GLN A 24 -0.183 3.335 10.757 1.00 35.41 H new ATOM 0 HG3 GLN A 24 -1.339 3.902 11.946 1.00 35.41 H new ATOM 0 HE21 GLN A 24 -0.654 1.438 9.509 1.00 22.51 H new ATOM 0 HE22 GLN A 24 -1.862 0.270 10.055 1.00 22.51 H new ATOM 400 N TRP A 25 -4.118 5.886 8.046 1.00 41.12 N ATOM 401 CA TRP A 25 -4.366 6.931 7.021 1.00 71.44 C ATOM 402 C TRP A 25 -5.732 6.706 6.341 1.00 54.31 C ATOM 403 O TRP A 25 -5.823 5.982 5.342 1.00 3.12 O ATOM 404 CB TRP A 25 -3.221 6.942 5.962 1.00 52.45 C ATOM 405 CG TRP A 25 -1.846 7.029 6.564 1.00 43.45 C ATOM 406 CD1 TRP A 25 -1.258 8.129 7.113 1.00 20.33 C ATOM 407 CD2 TRP A 25 -0.901 5.958 6.703 1.00 41.23 C ATOM 408 NE1 TRP A 25 -0.025 7.797 7.603 1.00 24.35 N ATOM 409 CE2 TRP A 25 0.217 6.476 7.359 1.00 35.00 C ATOM 410 CE3 TRP A 25 -0.902 4.607 6.344 1.00 4.14 C ATOM 411 CZ2 TRP A 25 1.320 5.700 7.667 1.00 34.30 C ATOM 412 CZ3 TRP A 25 0.198 3.832 6.644 1.00 52.23 C ATOM 413 CH2 TRP A 25 1.296 4.380 7.307 1.00 72.11 C ATOM 0 H TRP A 25 -4.346 4.945 7.727 1.00 41.12 H new ATOM 0 HA TRP A 25 -4.384 7.902 7.516 1.00 71.44 H new ATOM 0 HB2 TRP A 25 -3.287 6.037 5.358 1.00 52.45 H new ATOM 0 HB3 TRP A 25 -3.368 7.787 5.289 1.00 52.45 H new ATOM 0 HD1 TRP A 25 -1.699 9.114 7.155 1.00 20.33 H new ATOM 0 HE1 TRP A 25 0.613 8.436 8.076 1.00 24.35 H new ATOM 0 HE3 TRP A 25 -1.753 4.176 5.838 1.00 4.14 H new ATOM 0 HZ2 TRP A 25 2.174 6.123 8.176 1.00 34.30 H new ATOM 0 HZ3 TRP A 25 0.210 2.789 6.363 1.00 52.23 H new ATOM 0 HH2 TRP A 25 2.142 3.751 7.540 1.00 72.11 H new ATOM 424 N PRO A 26 -6.841 7.291 6.899 1.00 52.33 N ATOM 425 CA PRO A 26 -8.191 7.185 6.290 1.00 14.55 C ATOM 426 C PRO A 26 -8.322 8.070 5.035 1.00 3.52 C ATOM 427 O PRO A 26 -9.129 7.798 4.151 1.00 71.01 O ATOM 428 CB PRO A 26 -9.128 7.670 7.428 1.00 42.21 C ATOM 429 CG PRO A 26 -8.289 8.633 8.218 1.00 64.10 C ATOM 430 CD PRO A 26 -6.868 8.080 8.166 1.00 73.02 C ATOM 0 HA PRO A 26 -8.423 6.178 5.944 1.00 14.55 H new ATOM 0 HB2 PRO A 26 -10.020 8.154 7.029 1.00 42.21 H new ATOM 0 HB3 PRO A 26 -9.466 6.838 8.046 1.00 42.21 H new ATOM 0 HG2 PRO A 26 -8.335 9.635 7.791 1.00 64.10 H new ATOM 0 HG3 PRO A 26 -8.643 8.708 9.246 1.00 64.10 H new ATOM 0 HD2 PRO A 26 -6.127 8.880 8.156 1.00 73.02 H new ATOM 0 HD3 PRO A 26 -6.650 7.455 9.032 1.00 73.02 H new ATOM 438 N LYS A 27 -7.499 9.128 4.985 1.00 53.13 N ATOM 439 CA LYS A 27 -7.457 10.108 3.893 1.00 12.04 C ATOM 440 C LYS A 27 -6.365 9.736 2.871 1.00 5.21 C ATOM 441 O LYS A 27 -5.803 10.607 2.202 1.00 60.22 O ATOM 442 CB LYS A 27 -7.211 11.508 4.491 1.00 15.21 C ATOM 443 CG LYS A 27 -8.208 11.931 5.591 1.00 0.21 C ATOM 444 CD LYS A 27 -9.677 11.933 5.111 1.00 1.15 C ATOM 445 CE LYS A 27 -10.625 12.560 6.146 1.00 12.43 C ATOM 446 NZ LYS A 27 -10.300 13.994 6.389 1.00 72.01 N ATOM 0 H LYS A 27 -6.826 9.330 5.724 1.00 53.13 H new ATOM 0 HA LYS A 27 -8.409 10.109 3.362 1.00 12.04 H new ATOM 0 HB2 LYS A 27 -6.203 11.538 4.904 1.00 15.21 H new ATOM 0 HB3 LYS A 27 -7.248 12.242 3.686 1.00 15.21 H new ATOM 0 HG2 LYS A 27 -8.111 11.255 6.440 1.00 0.21 H new ATOM 0 HG3 LYS A 27 -7.947 12.928 5.946 1.00 0.21 H new ATOM 0 HD2 LYS A 27 -9.750 12.484 4.173 1.00 1.15 H new ATOM 0 HD3 LYS A 27 -9.992 10.910 4.905 1.00 1.15 H new ATOM 0 HE2 LYS A 27 -11.654 12.474 5.797 1.00 12.43 H new ATOM 0 HE3 LYS A 27 -10.559 12.007 7.083 1.00 12.43 H new ATOM 0 HZ1 LYS A 27 -11.106 14.459 6.854 1.00 72.01 H new ATOM 0 HZ2 LYS A 27 -9.462 14.061 7.001 1.00 72.01 H new ATOM 0 HZ3 LYS A 27 -10.105 14.464 5.482 1.00 72.01 H new ATOM 460 N ALA A 28 -6.088 8.433 2.760 1.00 20.20 N ATOM 461 CA ALA A 28 -5.082 7.904 1.834 1.00 75.34 C ATOM 462 C ALA A 28 -5.883 7.250 0.719 1.00 21.21 C ATOM 463 O ALA A 28 -6.573 6.257 0.994 1.00 44.54 O ATOM 464 CB ALA A 28 -4.171 6.877 2.525 1.00 33.12 C ATOM 0 H ALA A 28 -6.556 7.714 3.311 1.00 20.20 H new ATOM 0 HA ALA A 28 -4.422 8.689 1.464 1.00 75.34 H new ATOM 0 HB1 ALA A 28 -3.436 6.504 1.811 1.00 33.12 H new ATOM 0 HB2 ALA A 28 -3.657 7.351 3.361 1.00 33.12 H new ATOM 0 HB3 ALA A 28 -4.773 6.046 2.893 1.00 33.12 H new ATOM 470 N THR A 29 -5.860 7.796 -0.508 1.00 42.04 N ATOM 471 CA THR A 29 -6.697 7.278 -1.591 1.00 44.25 C ATOM 472 C THR A 29 -6.162 5.897 -2.013 1.00 41.54 C ATOM 473 O THR A 29 -5.115 5.789 -2.658 1.00 31.22 O ATOM 474 CB THR A 29 -6.727 8.273 -2.794 1.00 53.40 C ATOM 475 OG1 THR A 29 -7.142 9.575 -2.333 1.00 2.00 O ATOM 476 CG2 THR A 29 -7.670 7.809 -3.929 1.00 14.34 C ATOM 0 H THR A 29 -5.274 8.589 -0.769 1.00 42.04 H new ATOM 0 HA THR A 29 -7.724 7.170 -1.243 1.00 44.25 H new ATOM 0 HB THR A 29 -5.718 8.313 -3.204 1.00 53.40 H new ATOM 0 HG1 THR A 29 -7.159 10.199 -3.088 1.00 2.00 H new ATOM 0 HG21 THR A 29 -7.651 8.538 -4.739 1.00 14.34 H new ATOM 0 HG22 THR A 29 -7.338 6.841 -4.305 1.00 14.34 H new ATOM 0 HG23 THR A 29 -8.686 7.720 -3.544 1.00 14.34 H new ATOM 484 N VAL A 30 -6.865 4.845 -1.572 1.00 34.44 N ATOM 485 CA VAL A 30 -6.519 3.456 -1.876 1.00 35.01 C ATOM 486 C VAL A 30 -7.415 2.969 -3.018 1.00 75.53 C ATOM 487 O VAL A 30 -8.616 3.249 -3.039 1.00 30.31 O ATOM 488 CB VAL A 30 -6.678 2.508 -0.627 1.00 63.04 C ATOM 489 CG1 VAL A 30 -6.197 1.077 -0.962 1.00 61.34 C ATOM 490 CG2 VAL A 30 -5.927 3.062 0.609 1.00 14.25 C ATOM 0 H VAL A 30 -7.697 4.939 -0.989 1.00 34.44 H new ATOM 0 HA VAL A 30 -5.469 3.422 -2.166 1.00 35.01 H new ATOM 0 HB VAL A 30 -7.738 2.468 -0.377 1.00 63.04 H new ATOM 0 HG11 VAL A 30 -6.315 0.439 -0.086 1.00 61.34 H new ATOM 0 HG12 VAL A 30 -6.790 0.677 -1.785 1.00 61.34 H new ATOM 0 HG13 VAL A 30 -5.146 1.105 -1.251 1.00 61.34 H new ATOM 0 HG21 VAL A 30 -6.060 2.382 1.450 1.00 14.25 H new ATOM 0 HG22 VAL A 30 -4.865 3.153 0.379 1.00 14.25 H new ATOM 0 HG23 VAL A 30 -6.327 4.042 0.869 1.00 14.25 H new ATOM 500 N THR A 31 -6.813 2.250 -3.960 1.00 23.30 N ATOM 501 CA THR A 31 -7.472 1.709 -5.143 1.00 54.25 C ATOM 502 C THR A 31 -6.943 0.288 -5.358 1.00 34.42 C ATOM 503 O THR A 31 -5.741 0.048 -5.240 1.00 41.24 O ATOM 504 CB THR A 31 -7.169 2.593 -6.405 1.00 12.31 C ATOM 505 OG1 THR A 31 -7.538 3.957 -6.146 1.00 72.33 O ATOM 506 CG2 THR A 31 -7.893 2.089 -7.674 1.00 42.11 C ATOM 0 H THR A 31 -5.820 2.020 -3.919 1.00 23.30 H new ATOM 0 HA THR A 31 -8.552 1.702 -4.998 1.00 54.25 H new ATOM 0 HB THR A 31 -6.098 2.523 -6.595 1.00 12.31 H new ATOM 0 HG1 THR A 31 -7.345 4.504 -6.936 1.00 72.33 H new ATOM 0 HG21 THR A 31 -7.647 2.738 -8.515 1.00 42.11 H new ATOM 0 HG22 THR A 31 -7.573 1.071 -7.895 1.00 42.11 H new ATOM 0 HG23 THR A 31 -8.970 2.103 -7.508 1.00 42.11 H new ATOM 514 N ARG A 32 -7.844 -0.659 -5.614 1.00 2.22 N ATOM 515 CA ARG A 32 -7.453 -2.031 -5.941 1.00 60.34 C ATOM 516 C ARG A 32 -7.414 -2.198 -7.464 1.00 44.21 C ATOM 517 O ARG A 32 -8.308 -1.736 -8.180 1.00 14.12 O ATOM 518 CB ARG A 32 -8.432 -3.041 -5.308 1.00 33.13 C ATOM 519 CG ARG A 32 -8.041 -4.531 -5.510 1.00 3.22 C ATOM 520 CD ARG A 32 -9.100 -5.505 -4.962 1.00 1.12 C ATOM 521 NE ARG A 32 -9.286 -5.400 -3.493 1.00 55.31 N ATOM 522 CZ ARG A 32 -10.279 -4.732 -2.871 1.00 23.33 C ATOM 523 NH1 ARG A 32 -11.210 -4.072 -3.549 1.00 24.30 N ATOM 524 NH2 ARG A 32 -10.338 -4.752 -1.562 1.00 34.35 N ATOM 0 H ARG A 32 -8.852 -0.502 -5.601 1.00 2.22 H new ATOM 0 HA ARG A 32 -6.461 -2.228 -5.534 1.00 60.34 H new ATOM 0 HB2 ARG A 32 -8.502 -2.839 -4.239 1.00 33.13 H new ATOM 0 HB3 ARG A 32 -9.424 -2.879 -5.729 1.00 33.13 H new ATOM 0 HG2 ARG A 32 -7.893 -4.722 -6.573 1.00 3.22 H new ATOM 0 HG3 ARG A 32 -7.088 -4.722 -5.016 1.00 3.22 H new ATOM 0 HD2 ARG A 32 -10.052 -5.313 -5.457 1.00 1.12 H new ATOM 0 HD3 ARG A 32 -8.810 -6.525 -5.213 1.00 1.12 H new ATOM 0 HE ARG A 32 -8.603 -5.875 -2.902 1.00 55.31 H new ATOM 0 HH11 ARG A 32 -11.187 -4.061 -4.569 1.00 24.30 H new ATOM 0 HH12 ARG A 32 -11.949 -3.576 -3.050 1.00 24.30 H new ATOM 0 HH21 ARG A 32 -9.639 -5.268 -1.028 1.00 34.35 H new ATOM 0 HH22 ARG A 32 -11.083 -4.252 -1.077 1.00 34.35 H new ATOM 538 N THR A 33 -6.375 -2.861 -7.932 1.00 70.00 N ATOM 539 CA THR A 33 -6.184 -3.261 -9.327 1.00 44.33 C ATOM 540 C THR A 33 -5.763 -4.732 -9.239 1.00 61.13 C ATOM 541 O THR A 33 -4.976 -5.050 -8.353 1.00 12.44 O ATOM 542 CB THR A 33 -5.074 -2.386 -10.030 1.00 51.24 C ATOM 543 OG1 THR A 33 -3.854 -2.399 -9.261 1.00 10.24 O ATOM 544 CG2 THR A 33 -5.503 -0.916 -10.232 1.00 70.41 C ATOM 0 H THR A 33 -5.604 -3.152 -7.331 1.00 70.00 H new ATOM 0 HA THR A 33 -7.083 -3.121 -9.927 1.00 44.33 H new ATOM 0 HB THR A 33 -4.918 -2.835 -11.011 1.00 51.24 H new ATOM 0 HG1 THR A 33 -3.971 -2.968 -8.472 1.00 10.24 H new ATOM 0 HG21 THR A 33 -4.698 -0.366 -10.720 1.00 70.41 H new ATOM 0 HG22 THR A 33 -6.397 -0.880 -10.855 1.00 70.41 H new ATOM 0 HG23 THR A 33 -5.717 -0.463 -9.264 1.00 70.41 H new ATOM 552 N ASN A 34 -6.316 -5.642 -10.063 1.00 30.21 N ATOM 553 CA ASN A 34 -6.045 -7.091 -9.918 1.00 13.43 C ATOM 554 C ASN A 34 -4.534 -7.396 -10.098 1.00 22.41 C ATOM 555 O ASN A 34 -3.998 -7.372 -11.211 1.00 45.32 O ATOM 556 CB ASN A 34 -6.934 -7.930 -10.892 1.00 4.34 C ATOM 557 CG ASN A 34 -6.797 -7.564 -12.381 1.00 23.13 C ATOM 558 OD1 ASN A 34 -6.587 -6.404 -12.739 1.00 13.01 O ATOM 559 ND2 ASN A 34 -6.913 -8.552 -13.258 1.00 40.34 N ATOM 0 H ASN A 34 -6.947 -5.407 -10.829 1.00 30.21 H new ATOM 0 HA ASN A 34 -6.314 -7.388 -8.904 1.00 13.43 H new ATOM 0 HB2 ASN A 34 -6.686 -8.984 -10.769 1.00 4.34 H new ATOM 0 HB3 ASN A 34 -7.977 -7.812 -10.599 1.00 4.34 H new ATOM 0 HD21 ASN A 34 -6.828 -8.360 -14.256 1.00 40.34 H new ATOM 0 HD22 ASN A 34 -7.087 -9.504 -12.934 1.00 40.34 H new ATOM 566 N GLY A 35 -3.862 -7.671 -8.962 1.00 15.31 N ATOM 567 CA GLY A 35 -2.429 -7.977 -8.928 1.00 14.45 C ATOM 568 C GLY A 35 -1.612 -6.954 -8.148 1.00 43.13 C ATOM 569 O GLY A 35 -0.489 -7.260 -7.734 1.00 21.03 O ATOM 0 H GLY A 35 -4.305 -7.686 -8.043 1.00 15.31 H new ATOM 0 HA2 GLY A 35 -2.285 -8.962 -8.483 1.00 14.45 H new ATOM 0 HA3 GLY A 35 -2.052 -8.030 -9.949 1.00 14.45 H new ATOM 573 N ASP A 36 -2.158 -5.731 -7.957 1.00 44.31 N ATOM 574 CA ASP A 36 -1.436 -4.611 -7.302 1.00 64.41 C ATOM 575 C ASP A 36 -2.366 -3.766 -6.401 1.00 1.44 C ATOM 576 O ASP A 36 -3.566 -3.648 -6.644 1.00 52.24 O ATOM 577 CB ASP A 36 -0.761 -3.672 -8.356 1.00 2.21 C ATOM 578 CG ASP A 36 0.542 -4.231 -8.957 1.00 60.23 C ATOM 579 OD1 ASP A 36 0.481 -5.122 -9.820 1.00 74.43 O ATOM 580 OD2 ASP A 36 1.643 -3.756 -8.601 1.00 44.42 O ATOM 0 H ASP A 36 -3.105 -5.492 -8.250 1.00 44.31 H new ATOM 0 HA ASP A 36 -0.668 -5.070 -6.679 1.00 64.41 H new ATOM 0 HB2 ASP A 36 -1.468 -3.483 -9.163 1.00 2.21 H new ATOM 0 HB3 ASP A 36 -0.549 -2.711 -7.887 1.00 2.21 H new ATOM 585 N ILE A 37 -1.780 -3.164 -5.356 1.00 32.35 N ATOM 586 CA ILE A 37 -2.432 -2.134 -4.537 1.00 44.54 C ATOM 587 C ILE A 37 -1.971 -0.762 -5.021 1.00 2.42 C ATOM 588 O ILE A 37 -0.812 -0.371 -4.842 1.00 41.45 O ATOM 589 CB ILE A 37 -2.124 -2.312 -3.002 1.00 74.41 C ATOM 590 CG1 ILE A 37 -2.682 -3.679 -2.515 1.00 4.24 C ATOM 591 CG2 ILE A 37 -2.690 -1.139 -2.147 1.00 41.24 C ATOM 592 CD1 ILE A 37 -4.182 -3.825 -2.686 1.00 63.14 C ATOM 0 H ILE A 37 -0.831 -3.381 -5.053 1.00 32.35 H new ATOM 0 HA ILE A 37 -3.512 -2.231 -4.651 1.00 44.54 H new ATOM 0 HB ILE A 37 -1.042 -2.296 -2.870 1.00 74.41 H new ATOM 0 HG12 ILE A 37 -2.184 -4.480 -3.062 1.00 4.24 H new ATOM 0 HG13 ILE A 37 -2.432 -3.809 -1.462 1.00 4.24 H new ATOM 0 HG21 ILE A 37 -2.453 -1.307 -1.097 1.00 41.24 H new ATOM 0 HG22 ILE A 37 -2.242 -0.201 -2.475 1.00 41.24 H new ATOM 0 HG23 ILE A 37 -3.772 -1.088 -2.271 1.00 41.24 H new ATOM 0 HD11 ILE A 37 -4.496 -4.804 -2.324 1.00 63.14 H new ATOM 0 HD12 ILE A 37 -4.691 -3.047 -2.116 1.00 63.14 H new ATOM 0 HD13 ILE A 37 -4.439 -3.729 -3.741 1.00 63.14 H new ATOM 604 N LYS A 38 -2.898 -0.055 -5.661 1.00 3.44 N ATOM 605 CA LYS A 38 -2.673 1.279 -6.184 1.00 3.12 C ATOM 606 C LYS A 38 -2.980 2.281 -5.051 1.00 61.11 C ATOM 607 O LYS A 38 -4.136 2.480 -4.691 1.00 1.22 O ATOM 608 CB LYS A 38 -3.601 1.492 -7.414 1.00 71.40 C ATOM 609 CG LYS A 38 -3.184 2.641 -8.341 1.00 2.21 C ATOM 610 CD LYS A 38 -1.886 2.315 -9.116 1.00 33.14 C ATOM 611 CE LYS A 38 -1.492 3.437 -10.084 1.00 10.20 C ATOM 612 NZ LYS A 38 -2.577 3.774 -11.046 1.00 53.34 N ATOM 0 H LYS A 38 -3.841 -0.404 -5.831 1.00 3.44 H new ATOM 0 HA LYS A 38 -1.644 1.424 -6.513 1.00 3.12 H new ATOM 0 HB2 LYS A 38 -3.631 0.569 -7.993 1.00 71.40 H new ATOM 0 HB3 LYS A 38 -4.614 1.679 -7.059 1.00 71.40 H new ATOM 0 HG2 LYS A 38 -3.987 2.846 -9.049 1.00 2.21 H new ATOM 0 HG3 LYS A 38 -3.038 3.547 -7.753 1.00 2.21 H new ATOM 0 HD2 LYS A 38 -1.075 2.147 -8.408 1.00 33.14 H new ATOM 0 HD3 LYS A 38 -2.020 1.388 -9.673 1.00 33.14 H new ATOM 0 HE2 LYS A 38 -1.229 4.328 -9.513 1.00 10.20 H new ATOM 0 HE3 LYS A 38 -0.602 3.138 -10.637 1.00 10.20 H new ATOM 0 HZ1 LYS A 38 -2.201 4.398 -11.789 1.00 53.34 H new ATOM 0 HZ2 LYS A 38 -2.941 2.901 -11.479 1.00 53.34 H new ATOM 0 HZ3 LYS A 38 -3.348 4.259 -10.544 1.00 53.34 H new ATOM 626 N LEU A 39 -1.942 2.882 -4.484 1.00 63.20 N ATOM 627 CA LEU A 39 -2.041 3.743 -3.297 1.00 73.32 C ATOM 628 C LEU A 39 -1.563 5.152 -3.651 1.00 63.20 C ATOM 629 O LEU A 39 -0.615 5.319 -4.416 1.00 3.23 O ATOM 630 CB LEU A 39 -1.196 3.142 -2.134 1.00 24.14 C ATOM 631 CG LEU A 39 -1.097 4.003 -0.829 1.00 32.54 C ATOM 632 CD1 LEU A 39 -2.486 4.335 -0.249 1.00 15.32 C ATOM 633 CD2 LEU A 39 -0.201 3.314 0.218 1.00 72.33 C ATOM 0 H LEU A 39 -0.989 2.788 -4.836 1.00 63.20 H new ATOM 0 HA LEU A 39 -3.079 3.800 -2.968 1.00 73.32 H new ATOM 0 HB2 LEU A 39 -1.617 2.171 -1.872 1.00 24.14 H new ATOM 0 HB3 LEU A 39 -0.186 2.963 -2.503 1.00 24.14 H new ATOM 0 HG LEU A 39 -0.633 4.951 -1.099 1.00 32.54 H new ATOM 0 HD11 LEU A 39 -2.369 4.933 0.655 1.00 15.32 H new ATOM 0 HD12 LEU A 39 -3.062 4.897 -0.984 1.00 15.32 H new ATOM 0 HD13 LEU A 39 -3.010 3.410 -0.007 1.00 15.32 H new ATOM 0 HD21 LEU A 39 -0.148 3.932 1.115 1.00 72.33 H new ATOM 0 HD22 LEU A 39 -0.621 2.341 0.472 1.00 72.33 H new ATOM 0 HD23 LEU A 39 0.801 3.182 -0.191 1.00 72.33 H new ATOM 645 N ASP A 40 -2.246 6.159 -3.103 1.00 45.53 N ATOM 646 CA ASP A 40 -1.910 7.572 -3.280 1.00 52.34 C ATOM 647 C ASP A 40 -1.573 8.164 -1.906 1.00 53.32 C ATOM 648 O ASP A 40 -2.459 8.350 -1.056 1.00 42.33 O ATOM 649 CB ASP A 40 -3.089 8.314 -3.947 1.00 12.15 C ATOM 650 CG ASP A 40 -2.899 9.837 -4.019 1.00 55.45 C ATOM 651 OD1 ASP A 40 -1.959 10.296 -4.704 1.00 52.53 O ATOM 652 OD2 ASP A 40 -3.685 10.587 -3.391 1.00 65.33 O ATOM 0 H ASP A 40 -3.064 6.011 -2.512 1.00 45.53 H new ATOM 0 HA ASP A 40 -1.045 7.683 -3.934 1.00 52.34 H new ATOM 0 HB2 ASP A 40 -3.227 7.926 -4.956 1.00 12.15 H new ATOM 0 HB3 ASP A 40 -4.003 8.096 -3.394 1.00 12.15 H new ATOM 657 N ALA A 41 -0.274 8.392 -1.690 1.00 54.33 N ATOM 658 CA ALA A 41 0.263 9.009 -0.477 1.00 60.32 C ATOM 659 C ALA A 41 0.220 10.534 -0.601 1.00 24.21 C ATOM 660 O ALA A 41 0.541 11.072 -1.666 1.00 3.11 O ATOM 661 CB ALA A 41 1.699 8.524 -0.236 1.00 33.42 C ATOM 0 H ALA A 41 0.447 8.147 -2.369 1.00 54.33 H new ATOM 0 HA ALA A 41 -0.349 8.716 0.376 1.00 60.32 H new ATOM 0 HB1 ALA A 41 2.093 8.987 0.669 1.00 33.42 H new ATOM 0 HB2 ALA A 41 1.702 7.440 -0.120 1.00 33.42 H new ATOM 0 HB3 ALA A 41 2.324 8.799 -1.086 1.00 33.42 H new ATOM 667 N GLN A 42 -0.177 11.214 0.492 1.00 20.42 N ATOM 668 CA GLN A 42 -0.359 12.678 0.520 1.00 71.42 C ATOM 669 C GLN A 42 0.967 13.405 0.211 1.00 33.05 C ATOM 670 O GLN A 42 1.052 14.192 -0.743 1.00 14.11 O ATOM 671 CB GLN A 42 -0.944 13.157 1.884 1.00 13.21 C ATOM 672 CG GLN A 42 -2.376 12.641 2.218 1.00 25.04 C ATOM 673 CD GLN A 42 -2.425 11.162 2.648 1.00 23.23 C ATOM 674 OE1 GLN A 42 -2.598 10.258 1.829 1.00 61.11 O ATOM 675 NE2 GLN A 42 -2.251 10.907 3.935 1.00 55.30 N ATOM 0 H GLN A 42 -0.381 10.762 1.383 1.00 20.42 H new ATOM 0 HA GLN A 42 -1.079 12.932 -0.258 1.00 71.42 H new ATOM 0 HB2 GLN A 42 -0.269 12.843 2.680 1.00 13.21 H new ATOM 0 HB3 GLN A 42 -0.959 14.247 1.891 1.00 13.21 H new ATOM 0 HG2 GLN A 42 -2.795 13.255 3.015 1.00 25.04 H new ATOM 0 HG3 GLN A 42 -3.013 12.776 1.344 1.00 25.04 H new ATOM 0 HE21 GLN A 42 -2.110 11.674 4.592 1.00 55.30 H new ATOM 0 HE22 GLN A 42 -2.258 9.943 4.270 1.00 55.30 H new ATOM 684 N THR A 43 2.010 13.081 0.994 1.00 42.15 N ATOM 685 CA THR A 43 3.360 13.649 0.821 1.00 45.31 C ATOM 686 C THR A 43 4.415 12.527 0.830 1.00 5.03 C ATOM 687 O THR A 43 4.083 11.366 1.077 1.00 53.11 O ATOM 688 CB THR A 43 3.662 14.756 1.905 1.00 52.33 C ATOM 689 OG1 THR A 43 4.862 15.467 1.564 1.00 74.32 O ATOM 690 CG2 THR A 43 3.789 14.191 3.328 1.00 72.13 C ATOM 0 H THR A 43 1.942 12.417 1.766 1.00 42.15 H new ATOM 0 HA THR A 43 3.407 14.143 -0.149 1.00 45.31 H new ATOM 0 HB THR A 43 2.806 15.431 1.903 1.00 52.33 H new ATOM 0 HG1 THR A 43 5.040 16.152 2.241 1.00 74.32 H new ATOM 0 HG21 THR A 43 3.997 15.003 4.025 1.00 72.13 H new ATOM 0 HG22 THR A 43 2.857 13.701 3.609 1.00 72.13 H new ATOM 0 HG23 THR A 43 4.604 13.468 3.361 1.00 72.13 H new ATOM 698 N GLU A 44 5.679 12.894 0.524 1.00 43.54 N ATOM 699 CA GLU A 44 6.820 11.957 0.453 1.00 43.24 C ATOM 700 C GLU A 44 7.156 11.391 1.843 1.00 64.44 C ATOM 701 O GLU A 44 7.429 10.199 1.987 1.00 11.12 O ATOM 702 CB GLU A 44 8.047 12.693 -0.145 1.00 52.24 C ATOM 703 CG GLU A 44 7.832 13.206 -1.588 1.00 41.35 C ATOM 704 CD GLU A 44 8.880 14.242 -2.027 1.00 32.14 C ATOM 705 OE1 GLU A 44 10.077 13.899 -2.105 1.00 51.54 O ATOM 706 OE2 GLU A 44 8.514 15.414 -2.270 1.00 1.45 O ATOM 0 H GLU A 44 5.937 13.859 0.317 1.00 43.54 H new ATOM 0 HA GLU A 44 6.551 11.118 -0.189 1.00 43.24 H new ATOM 0 HB2 GLU A 44 8.299 13.538 0.496 1.00 52.24 H new ATOM 0 HB3 GLU A 44 8.903 12.018 -0.134 1.00 52.24 H new ATOM 0 HG2 GLU A 44 7.858 12.360 -2.275 1.00 41.35 H new ATOM 0 HG3 GLU A 44 6.839 13.649 -1.665 1.00 41.35 H new ATOM 713 N LYS A 45 7.095 12.276 2.862 1.00 55.11 N ATOM 714 CA LYS A 45 7.329 11.915 4.273 1.00 32.32 C ATOM 715 C LYS A 45 6.233 10.952 4.786 1.00 63.34 C ATOM 716 O LYS A 45 6.476 10.128 5.678 1.00 52.44 O ATOM 717 CB LYS A 45 7.385 13.207 5.148 1.00 63.44 C ATOM 718 CG LYS A 45 7.782 13.012 6.640 1.00 41.43 C ATOM 719 CD LYS A 45 9.257 12.522 6.859 1.00 31.31 C ATOM 720 CE LYS A 45 9.399 10.991 6.996 1.00 72.32 C ATOM 721 NZ LYS A 45 10.828 10.569 7.026 1.00 41.13 N ATOM 0 H LYS A 45 6.881 13.264 2.726 1.00 55.11 H new ATOM 0 HA LYS A 45 8.286 11.398 4.347 1.00 32.32 H new ATOM 0 HB2 LYS A 45 8.094 13.898 4.693 1.00 63.44 H new ATOM 0 HB3 LYS A 45 6.406 13.686 5.114 1.00 63.44 H new ATOM 0 HG2 LYS A 45 7.644 13.956 7.167 1.00 41.43 H new ATOM 0 HG3 LYS A 45 7.101 12.291 7.093 1.00 41.43 H new ATOM 0 HD2 LYS A 45 9.869 12.859 6.022 1.00 31.31 H new ATOM 0 HD3 LYS A 45 9.656 12.995 7.756 1.00 31.31 H new ATOM 0 HE2 LYS A 45 8.903 10.660 7.908 1.00 72.32 H new ATOM 0 HE3 LYS A 45 8.893 10.503 6.163 1.00 72.32 H new ATOM 0 HZ1 LYS A 45 10.885 9.552 7.237 1.00 41.13 H new ATOM 0 HZ2 LYS A 45 11.265 10.756 6.101 1.00 41.13 H new ATOM 0 HZ3 LYS A 45 11.333 11.104 7.761 1.00 41.13 H new ATOM 735 N GLU A 46 5.044 11.041 4.169 1.00 23.20 N ATOM 736 CA GLU A 46 3.894 10.199 4.504 1.00 61.12 C ATOM 737 C GLU A 46 4.055 8.838 3.805 1.00 51.14 C ATOM 738 O GLU A 46 3.746 7.784 4.373 1.00 63.01 O ATOM 739 CB GLU A 46 2.577 10.891 4.046 1.00 3.15 C ATOM 740 CG GLU A 46 1.284 10.299 4.644 1.00 3.25 C ATOM 741 CD GLU A 46 1.145 10.587 6.150 1.00 21.23 C ATOM 742 OE1 GLU A 46 1.808 9.913 6.970 1.00 32.52 O ATOM 743 OE2 GLU A 46 0.378 11.504 6.521 1.00 21.44 O ATOM 0 H GLU A 46 4.857 11.706 3.418 1.00 23.20 H new ATOM 0 HA GLU A 46 3.845 10.050 5.583 1.00 61.12 H new ATOM 0 HB2 GLU A 46 2.630 11.948 4.309 1.00 3.15 H new ATOM 0 HB3 GLU A 46 2.515 10.836 2.959 1.00 3.15 H new ATOM 0 HG2 GLU A 46 0.423 10.710 4.118 1.00 3.25 H new ATOM 0 HG3 GLU A 46 1.272 9.221 4.481 1.00 3.25 H new ATOM 750 N ALA A 47 4.566 8.902 2.558 1.00 24.11 N ATOM 751 CA ALA A 47 4.825 7.733 1.701 1.00 64.22 C ATOM 752 C ALA A 47 5.861 6.777 2.311 1.00 2.41 C ATOM 753 O ALA A 47 5.756 5.565 2.121 1.00 23.44 O ATOM 754 CB ALA A 47 5.280 8.209 0.316 1.00 71.41 C ATOM 0 H ALA A 47 4.814 9.786 2.113 1.00 24.11 H new ATOM 0 HA ALA A 47 3.896 7.170 1.612 1.00 64.22 H new ATOM 0 HB1 ALA A 47 5.472 7.345 -0.320 1.00 71.41 H new ATOM 0 HB2 ALA A 47 4.499 8.823 -0.132 1.00 71.41 H new ATOM 0 HB3 ALA A 47 6.192 8.797 0.415 1.00 71.41 H new ATOM 760 N GLU A 48 6.853 7.343 3.031 1.00 41.23 N ATOM 761 CA GLU A 48 7.916 6.567 3.712 1.00 60.11 C ATOM 762 C GLU A 48 7.339 5.624 4.782 1.00 21.32 C ATOM 763 O GLU A 48 7.891 4.546 5.043 1.00 62.25 O ATOM 764 CB GLU A 48 8.961 7.524 4.342 1.00 1.04 C ATOM 765 CG GLU A 48 9.787 8.297 3.299 1.00 61.00 C ATOM 766 CD GLU A 48 10.781 9.277 3.929 1.00 44.40 C ATOM 767 OE1 GLU A 48 11.825 8.827 4.448 1.00 40.03 O ATOM 768 OE2 GLU A 48 10.517 10.498 3.939 1.00 54.15 O ATOM 0 H GLU A 48 6.941 8.351 3.158 1.00 41.23 H new ATOM 0 HA GLU A 48 8.406 5.949 2.960 1.00 60.11 H new ATOM 0 HB2 GLU A 48 8.448 8.236 4.989 1.00 1.04 H new ATOM 0 HB3 GLU A 48 9.636 6.948 4.975 1.00 1.04 H new ATOM 0 HG2 GLU A 48 10.331 7.587 2.676 1.00 61.00 H new ATOM 0 HG3 GLU A 48 9.111 8.845 2.642 1.00 61.00 H new ATOM 775 N LYS A 49 6.242 6.061 5.410 1.00 60.11 N ATOM 776 CA LYS A 49 5.513 5.269 6.406 1.00 31.42 C ATOM 777 C LYS A 49 4.601 4.232 5.701 1.00 75.21 C ATOM 778 O LYS A 49 4.563 3.069 6.080 1.00 31.04 O ATOM 779 CB LYS A 49 4.657 6.214 7.277 1.00 41.35 C ATOM 780 CG LYS A 49 5.424 7.384 7.929 1.00 53.11 C ATOM 781 CD LYS A 49 4.480 8.330 8.702 1.00 45.22 C ATOM 782 CE LYS A 49 5.210 9.555 9.282 1.00 0.24 C ATOM 783 NZ LYS A 49 6.251 9.170 10.273 1.00 21.13 N ATOM 0 H LYS A 49 5.833 6.980 5.240 1.00 60.11 H new ATOM 0 HA LYS A 49 6.226 4.736 7.035 1.00 31.42 H new ATOM 0 HB2 LYS A 49 3.857 6.624 6.661 1.00 41.35 H new ATOM 0 HB3 LYS A 49 4.184 5.627 8.065 1.00 41.35 H new ATOM 0 HG2 LYS A 49 6.179 6.989 8.609 1.00 53.11 H new ATOM 0 HG3 LYS A 49 5.951 7.947 7.159 1.00 53.11 H new ATOM 0 HD2 LYS A 49 3.686 8.667 8.036 1.00 45.22 H new ATOM 0 HD3 LYS A 49 4.004 7.779 9.513 1.00 45.22 H new ATOM 0 HE2 LYS A 49 5.673 10.118 8.471 1.00 0.24 H new ATOM 0 HE3 LYS A 49 4.486 10.217 9.757 1.00 0.24 H new ATOM 0 HZ1 LYS A 49 6.670 10.027 10.687 1.00 21.13 H new ATOM 0 HZ2 LYS A 49 5.819 8.597 11.026 1.00 21.13 H new ATOM 0 HZ3 LYS A 49 6.993 8.616 9.800 1.00 21.13 H new ATOM 797 N MET A 50 3.826 4.727 4.720 1.00 2.12 N ATOM 798 CA MET A 50 2.899 3.905 3.901 1.00 40.25 C ATOM 799 C MET A 50 3.579 2.646 3.298 1.00 13.14 C ATOM 800 O MET A 50 3.104 1.525 3.520 1.00 5.14 O ATOM 801 CB MET A 50 2.219 4.758 2.804 1.00 14.42 C ATOM 802 CG MET A 50 1.252 5.814 3.344 1.00 14.45 C ATOM 803 SD MET A 50 0.302 6.597 2.038 1.00 52.43 S ATOM 804 CE MET A 50 -0.723 7.705 2.987 1.00 51.00 C ATOM 0 H MET A 50 3.821 5.715 4.466 1.00 2.12 H new ATOM 0 HA MET A 50 2.127 3.540 4.578 1.00 40.25 H new ATOM 0 HB2 MET A 50 2.990 5.254 2.215 1.00 14.42 H new ATOM 0 HB3 MET A 50 1.677 4.096 2.128 1.00 14.42 H new ATOM 0 HG2 MET A 50 0.571 5.349 4.057 1.00 14.45 H new ATOM 0 HG3 MET A 50 1.813 6.574 3.888 1.00 14.45 H new ATOM 0 HE1 MET A 50 -1.685 7.826 2.490 1.00 51.00 H new ATOM 0 HE2 MET A 50 -0.879 7.292 3.984 1.00 51.00 H new ATOM 0 HE3 MET A 50 -0.232 8.675 3.069 1.00 51.00 H new ATOM 814 N GLU A 51 4.678 2.847 2.541 1.00 3.14 N ATOM 815 CA GLU A 51 5.491 1.745 1.961 1.00 61.12 C ATOM 816 C GLU A 51 6.016 0.763 3.051 1.00 22.42 C ATOM 817 O GLU A 51 6.171 -0.438 2.800 1.00 5.23 O ATOM 818 CB GLU A 51 6.686 2.337 1.165 1.00 30.34 C ATOM 819 CG GLU A 51 7.793 2.971 2.032 1.00 11.23 C ATOM 820 CD GLU A 51 9.006 3.462 1.233 1.00 71.32 C ATOM 821 OE1 GLU A 51 9.682 2.623 0.600 1.00 45.31 O ATOM 822 OE2 GLU A 51 9.292 4.688 1.219 1.00 1.30 O ATOM 0 H GLU A 51 5.031 3.776 2.312 1.00 3.14 H new ATOM 0 HA GLU A 51 4.844 1.176 1.294 1.00 61.12 H new ATOM 0 HB2 GLU A 51 7.128 1.546 0.559 1.00 30.34 H new ATOM 0 HB3 GLU A 51 6.307 3.092 0.476 1.00 30.34 H new ATOM 0 HG2 GLU A 51 7.371 3.810 2.585 1.00 11.23 H new ATOM 0 HG3 GLU A 51 8.127 2.240 2.768 1.00 11.23 H new ATOM 829 N LYS A 52 6.291 1.314 4.251 1.00 33.20 N ATOM 830 CA LYS A 52 6.814 0.561 5.402 1.00 14.21 C ATOM 831 C LYS A 52 5.701 -0.334 5.988 1.00 71.23 C ATOM 832 O LYS A 52 5.942 -1.485 6.386 1.00 33.20 O ATOM 833 CB LYS A 52 7.350 1.554 6.471 1.00 21.22 C ATOM 834 CG LYS A 52 8.220 0.933 7.590 1.00 44.11 C ATOM 835 CD LYS A 52 9.634 0.512 7.123 1.00 52.40 C ATOM 836 CE LYS A 52 10.578 1.697 6.805 1.00 53.15 C ATOM 837 NZ LYS A 52 10.185 2.472 5.590 1.00 33.10 N ATOM 0 H LYS A 52 6.154 2.306 4.447 1.00 33.20 H new ATOM 0 HA LYS A 52 7.635 -0.080 5.082 1.00 14.21 H new ATOM 0 HB2 LYS A 52 7.935 2.322 5.965 1.00 21.22 H new ATOM 0 HB3 LYS A 52 6.499 2.055 6.934 1.00 21.22 H new ATOM 0 HG2 LYS A 52 8.316 1.652 8.404 1.00 44.11 H new ATOM 0 HG3 LYS A 52 7.707 0.061 7.994 1.00 44.11 H new ATOM 0 HD2 LYS A 52 10.091 -0.104 7.897 1.00 52.40 H new ATOM 0 HD3 LYS A 52 9.540 -0.111 6.234 1.00 52.40 H new ATOM 0 HE2 LYS A 52 10.602 2.370 7.662 1.00 53.15 H new ATOM 0 HE3 LYS A 52 11.591 1.317 6.670 1.00 53.15 H new ATOM 0 HZ1 LYS A 52 11.038 2.744 5.061 1.00 33.10 H new ATOM 0 HZ2 LYS A 52 9.575 1.885 4.986 1.00 33.10 H new ATOM 0 HZ3 LYS A 52 9.668 3.328 5.876 1.00 33.10 H new ATOM 851 N ALA A 53 4.472 0.223 6.002 1.00 42.43 N ATOM 852 CA ALA A 53 3.260 -0.457 6.484 1.00 24.54 C ATOM 853 C ALA A 53 2.866 -1.607 5.547 1.00 62.13 C ATOM 854 O ALA A 53 2.225 -2.565 5.972 1.00 41.11 O ATOM 855 CB ALA A 53 2.111 0.552 6.637 1.00 22.01 C ATOM 0 H ALA A 53 4.295 1.172 5.673 1.00 42.43 H new ATOM 0 HA ALA A 53 3.471 -0.888 7.463 1.00 24.54 H new ATOM 0 HB1 ALA A 53 1.219 0.037 6.994 1.00 22.01 H new ATOM 0 HB2 ALA A 53 2.396 1.323 7.353 1.00 22.01 H new ATOM 0 HB3 ALA A 53 1.901 1.013 5.672 1.00 22.01 H new ATOM 861 N VAL A 54 3.225 -1.491 4.263 1.00 5.22 N ATOM 862 CA VAL A 54 3.107 -2.594 3.306 1.00 71.52 C ATOM 863 C VAL A 54 4.088 -3.739 3.650 1.00 53.02 C ATOM 864 O VAL A 54 3.673 -4.893 3.788 1.00 53.22 O ATOM 865 CB VAL A 54 3.367 -2.088 1.840 1.00 74.20 C ATOM 866 CG1 VAL A 54 3.374 -3.260 0.839 1.00 3.14 C ATOM 867 CG2 VAL A 54 2.338 -1.001 1.434 1.00 12.13 C ATOM 0 H VAL A 54 3.604 -0.633 3.861 1.00 5.22 H new ATOM 0 HA VAL A 54 2.090 -2.980 3.371 1.00 71.52 H new ATOM 0 HB VAL A 54 4.356 -1.631 1.815 1.00 74.20 H new ATOM 0 HG11 VAL A 54 3.556 -2.879 -0.166 1.00 3.14 H new ATOM 0 HG12 VAL A 54 4.161 -3.964 1.108 1.00 3.14 H new ATOM 0 HG13 VAL A 54 2.409 -3.767 0.866 1.00 3.14 H new ATOM 0 HG21 VAL A 54 2.542 -0.669 0.416 1.00 12.13 H new ATOM 0 HG22 VAL A 54 1.331 -1.415 1.486 1.00 12.13 H new ATOM 0 HG23 VAL A 54 2.417 -0.153 2.114 1.00 12.13 H new ATOM 877 N LYS A 55 5.392 -3.403 3.777 1.00 3.41 N ATOM 878 CA LYS A 55 6.465 -4.406 3.977 1.00 15.33 C ATOM 879 C LYS A 55 6.374 -5.175 5.317 1.00 24.33 C ATOM 880 O LYS A 55 6.929 -6.274 5.419 1.00 40.15 O ATOM 881 CB LYS A 55 7.883 -3.787 3.806 1.00 11.24 C ATOM 882 CG LYS A 55 8.251 -3.414 2.348 1.00 3.42 C ATOM 883 CD LYS A 55 9.750 -3.053 2.208 1.00 4.34 C ATOM 884 CE LYS A 55 10.173 -2.719 0.769 1.00 60.12 C ATOM 885 NZ LYS A 55 9.951 -3.853 -0.162 1.00 50.30 N ATOM 0 H LYS A 55 5.728 -2.441 3.744 1.00 3.41 H new ATOM 0 HA LYS A 55 6.302 -5.140 3.188 1.00 15.33 H new ATOM 0 HB2 LYS A 55 7.952 -2.892 4.425 1.00 11.24 H new ATOM 0 HB3 LYS A 55 8.622 -4.494 4.184 1.00 11.24 H new ATOM 0 HG2 LYS A 55 8.015 -4.249 1.689 1.00 3.42 H new ATOM 0 HG3 LYS A 55 7.642 -2.570 2.024 1.00 3.42 H new ATOM 0 HD2 LYS A 55 9.971 -2.200 2.849 1.00 4.34 H new ATOM 0 HD3 LYS A 55 10.351 -3.887 2.570 1.00 4.34 H new ATOM 0 HE2 LYS A 55 9.613 -1.851 0.421 1.00 60.12 H new ATOM 0 HE3 LYS A 55 11.228 -2.444 0.757 1.00 60.12 H new ATOM 0 HZ1 LYS A 55 10.828 -4.048 -0.687 1.00 50.30 H new ATOM 0 HZ2 LYS A 55 9.676 -4.698 0.379 1.00 50.30 H new ATOM 0 HZ3 LYS A 55 9.194 -3.609 -0.832 1.00 50.30 H new ATOM 899 N LYS A 56 5.682 -4.614 6.331 1.00 73.05 N ATOM 900 CA LYS A 56 5.461 -5.323 7.624 1.00 52.14 C ATOM 901 C LYS A 56 4.403 -6.440 7.465 1.00 11.34 C ATOM 902 O LYS A 56 4.344 -7.370 8.273 1.00 24.50 O ATOM 903 CB LYS A 56 5.048 -4.331 8.743 1.00 4.31 C ATOM 904 CG LYS A 56 3.688 -3.636 8.518 1.00 10.24 C ATOM 905 CD LYS A 56 3.344 -2.590 9.601 1.00 25.33 C ATOM 906 CE LYS A 56 3.008 -3.212 10.967 1.00 10.42 C ATOM 907 NZ LYS A 56 1.777 -4.045 10.899 1.00 5.24 N ATOM 0 H LYS A 56 5.268 -3.683 6.288 1.00 73.05 H new ATOM 0 HA LYS A 56 6.404 -5.785 7.916 1.00 52.14 H new ATOM 0 HB2 LYS A 56 5.014 -4.867 9.691 1.00 4.31 H new ATOM 0 HB3 LYS A 56 5.820 -3.567 8.836 1.00 4.31 H new ATOM 0 HG2 LYS A 56 3.695 -3.149 7.543 1.00 10.24 H new ATOM 0 HG3 LYS A 56 2.903 -4.392 8.491 1.00 10.24 H new ATOM 0 HD2 LYS A 56 4.187 -1.909 9.718 1.00 25.33 H new ATOM 0 HD3 LYS A 56 2.496 -1.994 9.263 1.00 25.33 H new ATOM 0 HE2 LYS A 56 3.844 -3.824 11.305 1.00 10.42 H new ATOM 0 HE3 LYS A 56 2.873 -2.421 11.705 1.00 10.42 H new ATOM 0 HZ1 LYS A 56 1.217 -3.909 11.765 1.00 5.24 H new ATOM 0 HZ2 LYS A 56 1.212 -3.762 10.073 1.00 5.24 H new ATOM 0 HZ3 LYS A 56 2.040 -5.047 10.811 1.00 5.24 H new ATOM 921 N VAL A 57 3.567 -6.309 6.422 1.00 33.54 N ATOM 922 CA VAL A 57 2.548 -7.304 6.046 1.00 42.32 C ATOM 923 C VAL A 57 3.157 -8.349 5.075 1.00 52.31 C ATOM 924 O VAL A 57 2.755 -9.520 5.068 1.00 51.32 O ATOM 925 CB VAL A 57 1.317 -6.593 5.356 1.00 52.43 C ATOM 926 CG1 VAL A 57 0.185 -7.589 5.032 1.00 12.52 C ATOM 927 CG2 VAL A 57 0.793 -5.418 6.216 1.00 4.23 C ATOM 0 H VAL A 57 3.580 -5.496 5.806 1.00 33.54 H new ATOM 0 HA VAL A 57 2.206 -7.809 6.949 1.00 42.32 H new ATOM 0 HB VAL A 57 1.672 -6.186 4.409 1.00 52.43 H new ATOM 0 HG11 VAL A 57 -0.642 -7.059 4.559 1.00 12.52 H new ATOM 0 HG12 VAL A 57 0.559 -8.357 4.355 1.00 12.52 H new ATOM 0 HG13 VAL A 57 -0.163 -8.056 5.953 1.00 12.52 H new ATOM 0 HG21 VAL A 57 -0.054 -4.949 5.714 1.00 4.23 H new ATOM 0 HG22 VAL A 57 0.476 -5.793 7.189 1.00 4.23 H new ATOM 0 HG23 VAL A 57 1.587 -4.683 6.351 1.00 4.23 H new ATOM 937 N LYS A 58 4.157 -7.906 4.286 1.00 40.31 N ATOM 938 CA LYS A 58 4.746 -8.707 3.196 1.00 55.23 C ATOM 939 C LYS A 58 6.207 -8.244 2.903 1.00 62.30 C ATOM 940 O LYS A 58 6.415 -7.147 2.366 1.00 11.11 O ATOM 941 CB LYS A 58 3.839 -8.655 1.938 1.00 12.41 C ATOM 942 CG LYS A 58 3.503 -7.238 1.418 1.00 44.13 C ATOM 943 CD LYS A 58 2.569 -7.217 0.184 1.00 14.11 C ATOM 944 CE LYS A 58 3.088 -8.002 -1.041 1.00 62.23 C ATOM 945 NZ LYS A 58 2.964 -9.479 -0.891 1.00 55.32 N ATOM 0 H LYS A 58 4.578 -6.983 4.387 1.00 40.31 H new ATOM 0 HA LYS A 58 4.803 -9.750 3.506 1.00 55.23 H new ATOM 0 HB2 LYS A 58 4.326 -9.211 1.137 1.00 12.41 H new ATOM 0 HB3 LYS A 58 2.906 -9.171 2.163 1.00 12.41 H new ATOM 0 HG2 LYS A 58 3.036 -6.670 2.222 1.00 44.13 H new ATOM 0 HG3 LYS A 58 4.432 -6.727 1.165 1.00 44.13 H new ATOM 0 HD2 LYS A 58 1.600 -7.624 0.474 1.00 14.11 H new ATOM 0 HD3 LYS A 58 2.404 -6.181 -0.111 1.00 14.11 H new ATOM 0 HE2 LYS A 58 2.536 -7.686 -1.926 1.00 62.23 H new ATOM 0 HE3 LYS A 58 4.134 -7.748 -1.210 1.00 62.23 H new ATOM 0 HZ1 LYS A 58 3.910 -9.898 -0.783 1.00 55.32 H new ATOM 0 HZ2 LYS A 58 2.392 -9.696 -0.050 1.00 55.32 H new ATOM 0 HZ3 LYS A 58 2.504 -9.876 -1.735 1.00 55.32 H new ATOM 959 N PRO A 59 7.251 -9.078 3.240 1.00 3.52 N ATOM 960 CA PRO A 59 8.676 -8.638 3.187 1.00 52.20 C ATOM 961 C PRO A 59 9.191 -8.394 1.747 1.00 12.21 C ATOM 962 O PRO A 59 9.925 -7.432 1.497 1.00 44.04 O ATOM 963 CB PRO A 59 9.423 -9.811 3.882 1.00 15.35 C ATOM 964 CG PRO A 59 8.553 -11.016 3.647 1.00 54.32 C ATOM 965 CD PRO A 59 7.125 -10.502 3.675 1.00 24.43 C ATOM 0 HA PRO A 59 8.829 -7.673 3.671 1.00 52.20 H new ATOM 0 HB2 PRO A 59 10.417 -9.953 3.458 1.00 15.35 H new ATOM 0 HB3 PRO A 59 9.555 -9.620 4.947 1.00 15.35 H new ATOM 0 HG2 PRO A 59 8.782 -11.484 2.690 1.00 54.32 H new ATOM 0 HG3 PRO A 59 8.713 -11.771 4.417 1.00 54.32 H new ATOM 0 HD2 PRO A 59 6.482 -11.070 3.003 1.00 24.43 H new ATOM 0 HD3 PRO A 59 6.691 -10.579 4.672 1.00 24.43 H new ATOM 973 N ASN A 60 8.753 -9.248 0.806 1.00 5.12 N ATOM 974 CA ASN A 60 9.253 -9.267 -0.592 1.00 50.54 C ATOM 975 C ASN A 60 8.431 -8.341 -1.518 1.00 11.43 C ATOM 976 O ASN A 60 8.506 -8.480 -2.745 1.00 44.23 O ATOM 977 CB ASN A 60 9.221 -10.724 -1.136 1.00 5.12 C ATOM 978 CG ASN A 60 10.187 -11.673 -0.424 1.00 62.13 C ATOM 979 OD1 ASN A 60 9.841 -12.296 0.580 1.00 72.41 O ATOM 980 ND2 ASN A 60 11.403 -11.794 -0.936 1.00 23.32 N ATOM 0 H ASN A 60 8.038 -9.952 0.989 1.00 5.12 H new ATOM 0 HA ASN A 60 10.277 -8.893 -0.584 1.00 50.54 H new ATOM 0 HB2 ASN A 60 8.208 -11.115 -1.041 1.00 5.12 H new ATOM 0 HB3 ASN A 60 9.459 -10.710 -2.200 1.00 5.12 H new ATOM 0 HD21 ASN A 60 12.082 -12.416 -0.497 1.00 23.32 H new ATOM 0 HD22 ASN A 60 11.661 -11.265 -1.769 1.00 23.32 H new ATOM 987 N ALA A 61 7.668 -7.397 -0.929 1.00 71.33 N ATOM 988 CA ALA A 61 6.838 -6.438 -1.692 1.00 10.42 C ATOM 989 C ALA A 61 7.683 -5.582 -2.659 1.00 3.44 C ATOM 990 O ALA A 61 8.512 -4.782 -2.213 1.00 30.31 O ATOM 991 CB ALA A 61 6.068 -5.521 -0.724 1.00 14.31 C ATOM 0 H ALA A 61 7.609 -7.277 0.082 1.00 71.33 H new ATOM 0 HA ALA A 61 6.135 -7.018 -2.290 1.00 10.42 H new ATOM 0 HB1 ALA A 61 5.460 -4.819 -1.294 1.00 14.31 H new ATOM 0 HB2 ALA A 61 5.423 -6.125 -0.086 1.00 14.31 H new ATOM 0 HB3 ALA A 61 6.776 -4.969 -0.105 1.00 14.31 H new ATOM 997 N THR A 62 7.463 -5.760 -3.969 1.00 32.04 N ATOM 998 CA THR A 62 8.063 -4.905 -4.995 1.00 21.43 C ATOM 999 C THR A 62 7.244 -3.605 -5.072 1.00 50.45 C ATOM 1000 O THR A 62 6.113 -3.595 -5.583 1.00 2.31 O ATOM 1001 CB THR A 62 8.106 -5.617 -6.388 1.00 31.22 C ATOM 1002 OG1 THR A 62 8.759 -6.894 -6.263 1.00 55.35 O ATOM 1003 CG2 THR A 62 8.838 -4.775 -7.447 1.00 63.25 C ATOM 0 H THR A 62 6.866 -6.498 -4.343 1.00 32.04 H new ATOM 0 HA THR A 62 9.096 -4.686 -4.725 1.00 21.43 H new ATOM 0 HB THR A 62 7.075 -5.749 -6.718 1.00 31.22 H new ATOM 0 HG1 THR A 62 8.782 -7.337 -7.137 1.00 55.35 H new ATOM 0 HG21 THR A 62 8.843 -5.309 -8.397 1.00 63.25 H new ATOM 0 HG22 THR A 62 8.326 -3.820 -7.570 1.00 63.25 H new ATOM 0 HG23 THR A 62 9.864 -4.598 -7.125 1.00 63.25 H new ATOM 1011 N ILE A 63 7.785 -2.521 -4.491 1.00 21.43 N ATOM 1012 CA ILE A 63 7.135 -1.215 -4.436 1.00 71.52 C ATOM 1013 C ILE A 63 7.585 -0.368 -5.633 1.00 72.40 C ATOM 1014 O ILE A 63 8.777 -0.058 -5.771 1.00 43.52 O ATOM 1015 CB ILE A 63 7.482 -0.487 -3.076 1.00 74.33 C ATOM 1016 CG1 ILE A 63 7.009 -1.368 -1.873 1.00 42.14 C ATOM 1017 CG2 ILE A 63 6.883 0.946 -3.004 1.00 21.35 C ATOM 1018 CD1 ILE A 63 7.356 -0.842 -0.498 1.00 21.24 C ATOM 0 H ILE A 63 8.700 -2.535 -4.041 1.00 21.43 H new ATOM 0 HA ILE A 63 6.054 -1.348 -4.483 1.00 71.52 H new ATOM 0 HB ILE A 63 8.564 -0.365 -3.023 1.00 74.33 H new ATOM 0 HG12 ILE A 63 5.927 -1.484 -1.935 1.00 42.14 H new ATOM 0 HG13 ILE A 63 7.443 -2.362 -1.982 1.00 42.14 H new ATOM 0 HG21 ILE A 63 7.149 1.404 -2.051 1.00 21.35 H new ATOM 0 HG22 ILE A 63 7.282 1.548 -3.820 1.00 21.35 H new ATOM 0 HG23 ILE A 63 5.798 0.891 -3.090 1.00 21.35 H new ATOM 0 HD11 ILE A 63 6.981 -1.530 0.260 1.00 21.24 H new ATOM 0 HD12 ILE A 63 8.438 -0.754 -0.405 1.00 21.24 H new ATOM 0 HD13 ILE A 63 6.899 0.137 -0.357 1.00 21.24 H new ATOM 1030 N ARG A 64 6.627 -0.012 -6.501 1.00 71.30 N ATOM 1031 CA ARG A 64 6.863 0.911 -7.614 1.00 12.25 C ATOM 1032 C ARG A 64 6.533 2.310 -7.106 1.00 13.01 C ATOM 1033 O ARG A 64 5.363 2.690 -6.991 1.00 41.32 O ATOM 1034 CB ARG A 64 6.017 0.519 -8.856 1.00 44.51 C ATOM 1035 CG ARG A 64 6.374 -0.868 -9.428 1.00 13.50 C ATOM 1036 CD ARG A 64 7.861 -0.985 -9.827 1.00 25.44 C ATOM 1037 NE ARG A 64 8.228 -2.342 -10.263 1.00 42.33 N ATOM 1038 CZ ARG A 64 9.421 -2.693 -10.769 1.00 71.15 C ATOM 1039 NH1 ARG A 64 10.398 -1.793 -10.925 1.00 64.31 N ATOM 1040 NH2 ARG A 64 9.649 -3.950 -11.100 1.00 42.12 N ATOM 0 H ARG A 64 5.669 -0.357 -6.449 1.00 71.30 H new ATOM 0 HA ARG A 64 7.901 0.871 -7.944 1.00 12.25 H new ATOM 0 HB2 ARG A 64 4.961 0.531 -8.586 1.00 44.51 H new ATOM 0 HB3 ARG A 64 6.156 1.271 -9.633 1.00 44.51 H new ATOM 0 HG2 ARG A 64 6.140 -1.633 -8.687 1.00 13.50 H new ATOM 0 HG3 ARG A 64 5.752 -1.068 -10.300 1.00 13.50 H new ATOM 0 HD2 ARG A 64 8.074 -0.280 -10.631 1.00 25.44 H new ATOM 0 HD3 ARG A 64 8.484 -0.700 -8.979 1.00 25.44 H new ATOM 0 HE ARG A 64 7.521 -3.072 -10.174 1.00 42.33 H new ATOM 0 HH11 ARG A 64 10.243 -0.821 -10.658 1.00 64.31 H new ATOM 0 HH12 ARG A 64 11.298 -2.079 -11.311 1.00 64.31 H new ATOM 0 HH21 ARG A 64 8.920 -4.652 -10.971 1.00 42.12 H new ATOM 0 HH22 ARG A 64 10.554 -4.220 -11.485 1.00 42.12 H new ATOM 1054 N LYS A 65 7.585 3.039 -6.746 1.00 63.10 N ATOM 1055 CA LYS A 65 7.488 4.351 -6.127 1.00 72.12 C ATOM 1056 C LYS A 65 7.603 5.424 -7.206 1.00 62.00 C ATOM 1057 O LYS A 65 8.685 5.623 -7.774 1.00 13.25 O ATOM 1058 CB LYS A 65 8.616 4.486 -5.076 1.00 3.15 C ATOM 1059 CG LYS A 65 8.583 5.785 -4.230 1.00 33.13 C ATOM 1060 CD LYS A 65 9.722 5.832 -3.180 1.00 31.14 C ATOM 1061 CE LYS A 65 9.730 4.591 -2.270 1.00 42.11 C ATOM 1062 NZ LYS A 65 10.786 4.654 -1.230 1.00 41.14 N ATOM 0 H LYS A 65 8.546 2.726 -6.880 1.00 63.10 H new ATOM 0 HA LYS A 65 6.528 4.475 -5.627 1.00 72.12 H new ATOM 0 HB2 LYS A 65 8.565 3.631 -4.401 1.00 3.15 H new ATOM 0 HB3 LYS A 65 9.576 4.431 -5.589 1.00 3.15 H new ATOM 0 HG2 LYS A 65 8.665 6.648 -4.890 1.00 33.13 H new ATOM 0 HG3 LYS A 65 7.621 5.862 -3.723 1.00 33.13 H new ATOM 0 HD2 LYS A 65 10.681 5.911 -3.691 1.00 31.14 H new ATOM 0 HD3 LYS A 65 9.612 6.727 -2.568 1.00 31.14 H new ATOM 0 HE2 LYS A 65 8.757 4.491 -1.789 1.00 42.11 H new ATOM 0 HE3 LYS A 65 9.878 3.699 -2.879 1.00 42.11 H new ATOM 0 HZ1 LYS A 65 11.253 3.728 -1.152 1.00 41.14 H new ATOM 0 HZ2 LYS A 65 11.489 5.375 -1.492 1.00 41.14 H new ATOM 0 HZ3 LYS A 65 10.358 4.904 -0.316 1.00 41.14 H new ATOM 1076 N THR A 66 6.483 6.066 -7.522 1.00 15.04 N ATOM 1077 CA THR A 66 6.437 7.185 -8.460 1.00 12.12 C ATOM 1078 C THR A 66 6.042 8.449 -7.704 1.00 13.54 C ATOM 1079 O THR A 66 5.081 8.443 -6.939 1.00 71.02 O ATOM 1080 CB THR A 66 5.417 6.927 -9.612 1.00 43.33 C ATOM 1081 OG1 THR A 66 5.732 5.687 -10.273 1.00 71.22 O ATOM 1082 CG2 THR A 66 5.397 8.072 -10.659 1.00 51.21 C ATOM 0 H THR A 66 5.573 5.823 -7.131 1.00 15.04 H new ATOM 0 HA THR A 66 7.424 7.300 -8.907 1.00 12.12 H new ATOM 0 HB THR A 66 4.428 6.878 -9.157 1.00 43.33 H new ATOM 0 HG1 THR A 66 5.088 5.528 -10.994 1.00 71.22 H new ATOM 0 HG21 THR A 66 4.670 7.840 -11.438 1.00 51.21 H new ATOM 0 HG22 THR A 66 5.121 9.007 -10.171 1.00 51.21 H new ATOM 0 HG23 THR A 66 6.386 8.174 -11.105 1.00 51.21 H new ATOM 1090 N GLY A 67 6.822 9.500 -7.879 1.00 51.32 N ATOM 1091 CA GLY A 67 6.429 10.843 -7.480 1.00 1.32 C ATOM 1092 C GLY A 67 6.399 11.754 -8.686 1.00 70.40 C ATOM 1093 O GLY A 67 6.745 11.327 -9.799 1.00 34.40 O ATOM 0 H GLY A 67 7.748 9.448 -8.303 1.00 51.32 H new ATOM 0 HA2 GLY A 67 5.447 10.818 -7.009 1.00 1.32 H new ATOM 0 HA3 GLY A 67 7.128 11.230 -6.739 1.00 1.32 H new ATOM 1097 N GLY A 68 5.954 12.998 -8.490 1.00 43.54 N ATOM 1098 CA GLY A 68 6.091 14.034 -9.509 1.00 54.33 C ATOM 1099 C GLY A 68 7.556 14.382 -9.706 1.00 2.52 C ATOM 1100 O GLY A 68 8.099 14.205 -10.803 1.00 31.34 O ATOM 0 H GLY A 68 5.496 13.309 -7.633 1.00 43.54 H new ATOM 0 HA2 GLY A 68 5.662 13.689 -10.450 1.00 54.33 H new ATOM 0 HA3 GLY A 68 5.535 14.923 -9.212 1.00 54.33 H new ATOM 1104 N SER A 69 8.177 14.873 -8.603 1.00 73.10 N ATOM 1105 CA SER A 69 9.637 15.066 -8.460 1.00 63.23 C ATOM 1106 C SER A 69 10.221 16.063 -9.487 1.00 51.42 C ATOM 1107 O SER A 69 11.438 16.138 -9.653 1.00 32.51 O ATOM 1108 CB SER A 69 10.359 13.686 -8.520 1.00 34.13 C ATOM 1109 OG SER A 69 11.716 13.789 -8.112 1.00 52.33 O ATOM 0 H SER A 69 7.660 15.152 -7.769 1.00 73.10 H new ATOM 0 HA SER A 69 9.815 15.519 -7.484 1.00 63.23 H new ATOM 0 HB2 SER A 69 9.839 12.974 -7.879 1.00 34.13 H new ATOM 0 HB3 SER A 69 10.312 13.294 -9.536 1.00 34.13 H new ATOM 0 HG SER A 69 12.103 14.616 -8.468 1.00 52.33 H new ATOM 1115 N LEU A 70 9.348 16.857 -10.136 1.00 44.10 N ATOM 1116 CA LEU A 70 9.737 17.784 -11.216 1.00 40.44 C ATOM 1117 C LEU A 70 10.341 19.064 -10.580 1.00 11.03 C ATOM 1118 O LEU A 70 9.684 20.106 -10.477 1.00 15.52 O ATOM 1119 CB LEU A 70 8.489 18.092 -12.128 1.00 70.32 C ATOM 1120 CG LEU A 70 8.750 18.426 -13.643 1.00 44.43 C ATOM 1121 CD1 LEU A 70 7.421 18.639 -14.400 1.00 64.43 C ATOM 1122 CD2 LEU A 70 9.683 19.639 -13.830 1.00 34.22 C ATOM 0 H LEU A 70 8.350 16.874 -9.925 1.00 44.10 H new ATOM 0 HA LEU A 70 10.496 17.337 -11.858 1.00 40.44 H new ATOM 0 HB2 LEU A 70 7.823 17.230 -12.085 1.00 70.32 H new ATOM 0 HB3 LEU A 70 7.952 18.932 -11.688 1.00 70.32 H new ATOM 0 HG LEU A 70 9.261 17.562 -14.069 1.00 44.43 H new ATOM 0 HD11 LEU A 70 7.630 18.868 -15.445 1.00 64.43 H new ATOM 0 HD12 LEU A 70 6.819 17.732 -14.341 1.00 64.43 H new ATOM 0 HD13 LEU A 70 6.874 19.467 -13.949 1.00 64.43 H new ATOM 0 HD21 LEU A 70 9.829 19.825 -14.894 1.00 34.22 H new ATOM 0 HD22 LEU A 70 9.235 20.518 -13.366 1.00 34.22 H new ATOM 0 HD23 LEU A 70 10.646 19.433 -13.362 1.00 34.22 H new ATOM 1134 N GLU A 71 11.596 18.949 -10.121 1.00 42.53 N ATOM 1135 CA GLU A 71 12.321 20.046 -9.452 1.00 32.24 C ATOM 1136 C GLU A 71 13.310 20.703 -10.428 1.00 13.11 C ATOM 1137 O GLU A 71 14.531 20.720 -10.201 1.00 72.53 O ATOM 1138 CB GLU A 71 13.042 19.519 -8.181 1.00 60.33 C ATOM 1139 CG GLU A 71 12.112 18.853 -7.148 1.00 11.51 C ATOM 1140 CD GLU A 71 12.839 18.481 -5.849 1.00 53.13 C ATOM 1141 OE1 GLU A 71 13.408 17.372 -5.768 1.00 75.31 O ATOM 1142 OE2 GLU A 71 12.872 19.309 -4.913 1.00 42.53 O ATOM 0 H GLU A 71 12.141 18.091 -10.202 1.00 42.53 H new ATOM 0 HA GLU A 71 11.606 20.807 -9.138 1.00 32.24 H new ATOM 0 HB2 GLU A 71 13.803 18.800 -8.483 1.00 60.33 H new ATOM 0 HB3 GLU A 71 13.560 20.350 -7.702 1.00 60.33 H new ATOM 0 HG2 GLU A 71 11.289 19.529 -6.918 1.00 11.51 H new ATOM 0 HG3 GLU A 71 11.675 17.955 -7.585 1.00 11.51 H new ATOM 1149 N HIS A 72 12.778 21.199 -11.546 1.00 70.12 N ATOM 1150 CA HIS A 72 13.529 22.068 -12.476 1.00 21.55 C ATOM 1151 C HIS A 72 13.549 23.496 -11.887 1.00 22.34 C ATOM 1152 O HIS A 72 12.743 23.799 -10.994 1.00 13.33 O ATOM 1153 CB HIS A 72 12.872 22.052 -13.887 1.00 11.13 C ATOM 1154 CG HIS A 72 13.638 22.814 -14.937 1.00 64.51 C ATOM 1155 ND1 HIS A 72 13.450 24.158 -15.182 1.00 22.24 N ATOM 1156 CD2 HIS A 72 14.625 22.424 -15.776 1.00 1.22 C ATOM 1157 CE1 HIS A 72 14.288 24.557 -16.110 1.00 2.34 C ATOM 1158 NE2 HIS A 72 15.007 23.523 -16.489 1.00 35.32 N ATOM 0 H HIS A 72 11.818 21.015 -11.839 1.00 70.12 H new ATOM 0 HA HIS A 72 14.550 21.705 -12.592 1.00 21.55 H new ATOM 0 HB2 HIS A 72 12.764 21.017 -14.213 1.00 11.13 H new ATOM 0 HB3 HIS A 72 11.868 22.470 -13.812 1.00 11.13 H new ATOM 0 HD1 HIS A 72 12.765 24.751 -14.714 1.00 22.24 H new ATOM 0 HD2 HIS A 72 15.034 21.429 -15.865 1.00 1.22 H new ATOM 0 HE1 HIS A 72 14.373 25.562 -16.496 1.00 2.34 H new ATOM 1167 N HIS A 73 14.474 24.362 -12.357 1.00 12.50 N ATOM 1168 CA HIS A 73 14.495 25.779 -11.956 1.00 63.34 C ATOM 1169 C HIS A 73 13.203 26.467 -12.444 1.00 54.05 C ATOM 1170 O HIS A 73 13.017 26.656 -13.658 1.00 4.42 O ATOM 1171 CB HIS A 73 15.745 26.516 -12.507 1.00 51.40 C ATOM 1172 CG HIS A 73 15.846 27.961 -12.061 1.00 10.33 C ATOM 1173 ND1 HIS A 73 16.320 28.327 -10.822 1.00 44.45 N ATOM 1174 CD2 HIS A 73 15.509 29.121 -12.677 1.00 50.32 C ATOM 1175 CE1 HIS A 73 16.258 29.635 -10.696 1.00 34.41 C ATOM 1176 NE2 HIS A 73 15.778 30.145 -11.809 1.00 63.13 N ATOM 0 H HIS A 73 15.212 24.102 -13.012 1.00 12.50 H new ATOM 0 HA HIS A 73 14.548 25.827 -10.868 1.00 63.34 H new ATOM 0 HB2 HIS A 73 16.640 25.983 -12.187 1.00 51.40 H new ATOM 0 HB3 HIS A 73 15.725 26.482 -13.596 1.00 51.40 H new ATOM 0 HD2 HIS A 73 15.102 29.219 -13.672 1.00 50.32 H new ATOM 0 HE1 HIS A 73 16.553 30.197 -9.822 1.00 34.41 H new ATOM 0 HE2 HIS A 73 15.631 31.137 -11.995 1.00 63.13 H new ATOM 1185 N HIS A 74 12.315 26.786 -11.479 1.00 12.41 N ATOM 1186 CA HIS A 74 11.026 27.453 -11.725 1.00 24.11 C ATOM 1187 C HIS A 74 11.234 28.792 -12.457 1.00 24.12 C ATOM 1188 O HIS A 74 12.145 29.559 -12.122 1.00 11.02 O ATOM 1189 CB HIS A 74 10.250 27.658 -10.392 1.00 54.40 C ATOM 1190 CG HIS A 74 10.891 28.610 -9.403 1.00 45.55 C ATOM 1191 ND1 HIS A 74 10.242 29.706 -8.885 1.00 23.02 N ATOM 1192 CD2 HIS A 74 12.124 28.616 -8.835 1.00 51.25 C ATOM 1193 CE1 HIS A 74 11.045 30.340 -8.061 1.00 75.41 C ATOM 1194 NE2 HIS A 74 12.184 29.695 -8.011 1.00 71.34 N ATOM 0 H HIS A 74 12.479 26.583 -10.493 1.00 12.41 H new ATOM 0 HA HIS A 74 10.425 26.810 -12.368 1.00 24.11 H new ATOM 0 HB2 HIS A 74 9.251 28.024 -10.627 1.00 54.40 H new ATOM 0 HB3 HIS A 74 10.129 26.688 -9.910 1.00 54.40 H new ATOM 0 HD2 HIS A 74 12.911 27.897 -9.006 1.00 51.25 H new ATOM 0 HE1 HIS A 74 10.806 31.242 -7.516 1.00 75.41 H new ATOM 0 HE2 HIS A 74 12.989 29.961 -7.443 1.00 71.34 H new ATOM 1203 N HIS A 75 10.402 29.032 -13.468 1.00 54.10 N ATOM 1204 CA HIS A 75 10.472 30.212 -14.333 1.00 0.42 C ATOM 1205 C HIS A 75 9.057 30.574 -14.809 1.00 0.24 C ATOM 1206 O HIS A 75 8.113 29.783 -14.637 1.00 74.40 O ATOM 1207 CB HIS A 75 11.398 29.937 -15.554 1.00 50.11 C ATOM 1208 CG HIS A 75 10.870 28.877 -16.500 1.00 63.34 C ATOM 1209 ND1 HIS A 75 10.140 29.179 -17.633 1.00 63.30 N ATOM 1210 CD2 HIS A 75 10.952 27.525 -16.462 1.00 74.11 C ATOM 1211 CE1 HIS A 75 9.795 28.065 -18.240 1.00 42.35 C ATOM 1212 NE2 HIS A 75 10.275 27.047 -17.554 1.00 35.04 N ATOM 0 H HIS A 75 9.642 28.398 -13.716 1.00 54.10 H new ATOM 0 HA HIS A 75 10.890 31.046 -13.770 1.00 0.42 H new ATOM 0 HB2 HIS A 75 11.539 30.866 -16.107 1.00 50.11 H new ATOM 0 HB3 HIS A 75 12.379 29.630 -15.191 1.00 50.11 H new ATOM 0 HD2 HIS A 75 11.456 26.934 -15.712 1.00 74.11 H new ATOM 0 HE1 HIS A 75 9.215 27.996 -19.149 1.00 42.35 H new ATOM 0 HE2 HIS A 75 10.161 26.063 -17.796 1.00 35.04 H new ATOM 1221 N HIS A 76 8.927 31.754 -15.434 1.00 12.11 N ATOM 1222 CA HIS A 76 7.659 32.210 -16.023 1.00 22.41 C ATOM 1223 C HIS A 76 7.404 31.462 -17.355 1.00 54.13 C ATOM 1224 O HIS A 76 8.050 31.729 -18.376 1.00 22.34 O ATOM 1225 CB HIS A 76 7.648 33.759 -16.190 1.00 12.50 C ATOM 1226 CG HIS A 76 8.715 34.341 -17.087 1.00 54.10 C ATOM 1227 ND1 HIS A 76 10.035 34.440 -16.717 1.00 2.44 N ATOM 1228 CD2 HIS A 76 8.642 34.852 -18.342 1.00 43.05 C ATOM 1229 CE1 HIS A 76 10.723 34.983 -17.700 1.00 55.41 C ATOM 1230 NE2 HIS A 76 9.903 35.240 -18.693 1.00 23.42 N ATOM 0 H HIS A 76 9.695 32.417 -15.545 1.00 12.11 H new ATOM 0 HA HIS A 76 6.837 31.971 -15.348 1.00 22.41 H new ATOM 0 HB2 HIS A 76 6.674 34.055 -16.580 1.00 12.50 H new ATOM 0 HB3 HIS A 76 7.747 34.211 -15.203 1.00 12.50 H new ATOM 0 HD2 HIS A 76 7.753 34.936 -18.949 1.00 43.05 H new ATOM 0 HE1 HIS A 76 11.784 35.183 -17.691 1.00 55.41 H new ATOM 0 HE2 HIS A 76 10.166 35.662 -19.584 1.00 23.42 H new ATOM 1239 N HIS A 77 6.531 30.448 -17.290 1.00 75.21 N ATOM 1240 CA HIS A 77 6.067 29.704 -18.468 1.00 60.45 C ATOM 1241 C HIS A 77 4.918 30.501 -19.137 1.00 32.54 C ATOM 1242 O HIS A 77 3.794 30.528 -18.585 1.00 4.22 O ATOM 1243 CB HIS A 77 5.626 28.263 -18.072 1.00 12.03 C ATOM 1244 CG HIS A 77 4.983 27.491 -19.200 1.00 3.33 C ATOM 1245 ND1 HIS A 77 3.618 27.345 -19.317 1.00 14.02 N ATOM 1246 CD2 HIS A 77 5.519 26.847 -20.264 1.00 32.13 C ATOM 1247 CE1 HIS A 77 3.345 26.657 -20.401 1.00 4.44 C ATOM 1248 NE2 HIS A 77 4.479 26.342 -20.991 1.00 23.04 N ATOM 1249 OXT HIS A 77 5.148 31.116 -20.195 1.00 37.57 O ATOM 0 H HIS A 77 6.125 30.119 -16.414 1.00 75.21 H new ATOM 0 HA HIS A 77 6.880 29.594 -19.185 1.00 60.45 H new ATOM 0 HB2 HIS A 77 6.496 27.711 -17.716 1.00 12.03 H new ATOM 0 HB3 HIS A 77 4.925 28.323 -17.240 1.00 12.03 H new ATOM 0 HD2 HIS A 77 6.570 26.751 -20.494 1.00 32.13 H new ATOM 0 HE1 HIS A 77 2.357 26.394 -20.750 1.00 4.44 H new ATOM 0 HE2 HIS A 77 4.567 25.806 -21.854 1.00 23.04 H new TER 1258 HIS A 77