USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 83 CYS SG : rot 69:sc= 1.71 USER MOD Set 1.2: A 85 TYR OH : rot 97:sc= 1.43 USER MOD Set 2.1: A 27 CYS SG : rot 110:sc= -0.279 USER MOD Set 2.2: A 77 CYS SG : rot -172:sc= -1.62! USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.878 X(o=-0.88,f=-0.76) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 34:sc= 0.0804 USER MOD Single : A 24 MET CE :methyl -161:sc= -0.211 (180deg=-0.696) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -148:sc= 1.22 (180deg=0.834) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.473 K(o=-0.47,f=-5.3!) USER MOD Single : A 59 HIS : no HE2:sc= -0.636 X(o=-0.64,f=-0.84) USER MOD Single : A 67 THR OG1 : rot 78:sc= 0.184 USER MOD Single : A 68 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.942 K(o=-0.94,f=-5.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.752 -11.669 -3.166 1.00 21.32 N ATOM 51 CA VAL A 4 -10.379 -11.131 -2.984 1.00 13.22 C ATOM 52 C VAL A 4 -10.192 -10.459 -1.593 1.00 22.45 C ATOM 53 O VAL A 4 -10.758 -9.402 -1.293 1.00 23.30 O ATOM 54 CB VAL A 4 -9.965 -10.140 -4.142 1.00 55.43 C ATOM 55 CG1 VAL A 4 -11.032 -9.046 -4.377 1.00 30.24 C ATOM 56 CG2 VAL A 4 -8.563 -9.519 -3.874 1.00 61.12 C ATOM 0 HA VAL A 4 -9.711 -11.991 -3.031 1.00 13.22 H new ATOM 0 HB VAL A 4 -9.902 -10.724 -5.060 1.00 55.43 H new ATOM 0 HG11 VAL A 4 -10.706 -8.387 -5.182 1.00 30.24 H new ATOM 0 HG12 VAL A 4 -11.978 -9.513 -4.651 1.00 30.24 H new ATOM 0 HG13 VAL A 4 -11.165 -8.466 -3.464 1.00 30.24 H new ATOM 0 HG21 VAL A 4 -8.304 -8.841 -4.687 1.00 61.12 H new ATOM 0 HG22 VAL A 4 -8.583 -8.967 -2.934 1.00 61.12 H new ATOM 0 HG23 VAL A 4 -7.819 -10.313 -3.813 1.00 61.12 H new ATOM 66 N HIS A 5 -9.368 -11.100 -0.755 1.00 71.21 N ATOM 67 CA HIS A 5 -9.038 -10.631 0.605 1.00 22.43 C ATOM 68 C HIS A 5 -7.582 -10.105 0.689 1.00 52.43 C ATOM 69 O HIS A 5 -6.772 -10.345 -0.210 1.00 4.30 O ATOM 70 CB HIS A 5 -9.267 -11.791 1.604 1.00 44.45 C ATOM 71 CG HIS A 5 -10.706 -12.233 1.688 1.00 11.31 C ATOM 72 ND1 HIS A 5 -11.189 -13.380 1.087 1.00 11.14 N ATOM 73 CD2 HIS A 5 -11.774 -11.662 2.301 1.00 34.04 C ATOM 74 CE1 HIS A 5 -12.478 -13.489 1.321 1.00 1.40 C ATOM 75 NE2 HIS A 5 -12.857 -12.465 2.051 1.00 75.23 N ATOM 0 H HIS A 5 -8.902 -11.973 -1.003 1.00 71.21 H new ATOM 0 HA HIS A 5 -9.690 -9.795 0.860 1.00 22.43 H new ATOM 0 HB2 HIS A 5 -8.650 -12.640 1.311 1.00 44.45 H new ATOM 0 HB3 HIS A 5 -8.932 -11.480 2.593 1.00 44.45 H new ATOM 0 HD2 HIS A 5 -11.771 -10.748 2.877 1.00 34.04 H new ATOM 0 HE1 HIS A 5 -13.118 -14.286 0.972 1.00 1.40 H new ATOM 0 HE2 HIS A 5 -13.807 -12.294 2.380 1.00 75.23 H new ATOM 84 N ILE A 6 -7.274 -9.373 1.773 1.00 42.32 N ATOM 85 CA ILE A 6 -5.921 -8.830 2.044 1.00 44.21 C ATOM 86 C ILE A 6 -5.272 -9.602 3.219 1.00 3.31 C ATOM 87 O ILE A 6 -5.803 -9.600 4.332 1.00 51.41 O ATOM 88 CB ILE A 6 -5.987 -7.288 2.378 1.00 73.51 C ATOM 89 CG1 ILE A 6 -6.634 -6.500 1.195 1.00 62.31 C ATOM 90 CG2 ILE A 6 -4.586 -6.720 2.718 1.00 2.42 C ATOM 91 CD1 ILE A 6 -6.722 -4.991 1.388 1.00 61.40 C ATOM 0 H ILE A 6 -7.957 -9.137 2.493 1.00 42.32 H new ATOM 0 HA ILE A 6 -5.313 -8.957 1.149 1.00 44.21 H new ATOM 0 HB ILE A 6 -6.614 -7.164 3.261 1.00 73.51 H new ATOM 0 HG12 ILE A 6 -6.061 -6.701 0.290 1.00 62.31 H new ATOM 0 HG13 ILE A 6 -7.639 -6.888 1.029 1.00 62.31 H new ATOM 0 HG21 ILE A 6 -4.669 -5.657 2.943 1.00 2.42 H new ATOM 0 HG22 ILE A 6 -4.182 -7.243 3.584 1.00 2.42 H new ATOM 0 HG23 ILE A 6 -3.920 -6.860 1.866 1.00 2.42 H new ATOM 0 HD11 ILE A 6 -7.186 -4.539 0.512 1.00 61.40 H new ATOM 0 HD12 ILE A 6 -7.323 -4.771 2.271 1.00 61.40 H new ATOM 0 HD13 ILE A 6 -5.720 -4.582 1.520 1.00 61.40 H new ATOM 103 N VAL A 7 -4.130 -10.277 2.962 1.00 11.32 N ATOM 104 CA VAL A 7 -3.388 -11.023 4.014 1.00 11.11 C ATOM 105 C VAL A 7 -2.512 -10.087 4.888 1.00 0.44 C ATOM 106 O VAL A 7 -2.230 -10.406 6.047 1.00 64.32 O ATOM 107 CB VAL A 7 -2.507 -12.191 3.416 1.00 21.14 C ATOM 108 CG1 VAL A 7 -3.394 -13.338 2.878 1.00 54.53 C ATOM 109 CG2 VAL A 7 -1.541 -11.679 2.314 1.00 21.40 C ATOM 0 H VAL A 7 -3.699 -10.323 2.039 1.00 11.32 H new ATOM 0 HA VAL A 7 -4.150 -11.470 4.652 1.00 11.11 H new ATOM 0 HB VAL A 7 -1.897 -12.583 4.230 1.00 21.14 H new ATOM 0 HG11 VAL A 7 -2.761 -14.128 2.473 1.00 54.53 H new ATOM 0 HG12 VAL A 7 -4.001 -13.740 3.689 1.00 54.53 H new ATOM 0 HG13 VAL A 7 -4.046 -12.956 2.092 1.00 54.53 H new ATOM 0 HG21 VAL A 7 -0.954 -12.513 1.929 1.00 21.40 H new ATOM 0 HG22 VAL A 7 -2.118 -11.236 1.502 1.00 21.40 H new ATOM 0 HG23 VAL A 7 -0.873 -10.929 2.736 1.00 21.40 H new ATOM 119 N ASP A 8 -2.088 -8.937 4.331 1.00 54.14 N ATOM 120 CA ASP A 8 -1.275 -7.943 5.065 1.00 31.21 C ATOM 121 C ASP A 8 -1.392 -6.546 4.386 1.00 12.44 C ATOM 122 O ASP A 8 -1.282 -6.472 3.172 1.00 74.41 O ATOM 123 CB ASP A 8 0.206 -8.415 5.116 1.00 61.31 C ATOM 124 CG ASP A 8 1.055 -7.600 6.098 1.00 4.52 C ATOM 125 OD1 ASP A 8 0.777 -7.657 7.316 1.00 41.34 O ATOM 126 OD2 ASP A 8 1.994 -6.888 5.668 1.00 74.45 O ATOM 0 H ASP A 8 -2.296 -8.670 3.369 1.00 54.14 H new ATOM 0 HA ASP A 8 -1.647 -7.854 6.086 1.00 31.21 H new ATOM 0 HB2 ASP A 8 0.238 -9.467 5.401 1.00 61.31 H new ATOM 0 HB3 ASP A 8 0.641 -8.342 4.119 1.00 61.31 H new ATOM 131 N PRO A 9 -1.653 -5.417 5.128 1.00 54.25 N ATOM 132 CA PRO A 9 -1.887 -5.399 6.591 1.00 11.40 C ATOM 133 C PRO A 9 -3.353 -5.726 6.986 1.00 72.44 C ATOM 134 O PRO A 9 -4.271 -5.688 6.162 1.00 5.43 O ATOM 135 CB PRO A 9 -1.519 -3.947 6.964 1.00 63.54 C ATOM 136 CG PRO A 9 -1.957 -3.143 5.776 1.00 74.43 C ATOM 137 CD PRO A 9 -1.731 -4.036 4.561 1.00 51.14 C ATOM 0 HA PRO A 9 -1.306 -6.160 7.112 1.00 11.40 H new ATOM 0 HB2 PRO A 9 -2.030 -3.627 7.872 1.00 63.54 H new ATOM 0 HB3 PRO A 9 -0.449 -3.841 7.145 1.00 63.54 H new ATOM 0 HG2 PRO A 9 -3.006 -2.859 5.862 1.00 74.43 H new ATOM 0 HG3 PRO A 9 -1.382 -2.221 5.695 1.00 74.43 H new ATOM 0 HD2 PRO A 9 -2.547 -3.946 3.844 1.00 51.14 H new ATOM 0 HD3 PRO A 9 -0.814 -3.769 4.036 1.00 51.14 H new ATOM 145 N ARG A 10 -3.536 -6.048 8.271 1.00 44.34 N ATOM 146 CA ARG A 10 -4.861 -6.343 8.870 1.00 42.53 C ATOM 147 C ARG A 10 -5.382 -5.139 9.697 1.00 11.14 C ATOM 148 O ARG A 10 -6.364 -5.266 10.444 1.00 14.42 O ATOM 149 CB ARG A 10 -4.726 -7.593 9.784 1.00 44.22 C ATOM 150 CG ARG A 10 -4.275 -8.888 9.071 1.00 1.12 C ATOM 151 CD ARG A 10 -5.274 -9.353 7.999 1.00 51.44 C ATOM 152 NE ARG A 10 -4.897 -10.666 7.443 1.00 61.25 N ATOM 153 CZ ARG A 10 -5.725 -11.654 7.185 1.00 53.34 C ATOM 154 NH1 ARG A 10 -7.001 -11.549 7.415 1.00 71.34 N ATOM 155 NH2 ARG A 10 -5.268 -12.751 6.685 1.00 64.32 N ATOM 0 H ARG A 10 -2.767 -6.114 8.938 1.00 44.34 H new ATOM 0 HA ARG A 10 -5.578 -6.533 8.071 1.00 42.53 H new ATOM 0 HB2 ARG A 10 -4.013 -7.367 10.577 1.00 44.22 H new ATOM 0 HB3 ARG A 10 -5.687 -7.778 10.263 1.00 44.22 H new ATOM 0 HG2 ARG A 10 -3.302 -8.723 8.608 1.00 1.12 H new ATOM 0 HG3 ARG A 10 -4.147 -9.679 9.810 1.00 1.12 H new ATOM 0 HD2 ARG A 10 -6.272 -9.413 8.432 1.00 51.44 H new ATOM 0 HD3 ARG A 10 -5.318 -8.616 7.197 1.00 51.44 H new ATOM 0 HE ARG A 10 -3.909 -10.821 7.241 1.00 61.25 H new ATOM 0 HH11 ARG A 10 -7.380 -10.686 7.804 1.00 71.34 H new ATOM 0 HH12 ARG A 10 -7.623 -12.330 7.206 1.00 71.34 H new ATOM 0 HH21 ARG A 10 -4.271 -12.847 6.493 1.00 64.32 H new ATOM 0 HH22 ARG A 10 -5.904 -13.523 6.482 1.00 64.32 H new ATOM 169 N GLU A 11 -4.743 -3.966 9.529 1.00 5.43 N ATOM 170 CA GLU A 11 -4.910 -2.820 10.449 1.00 5.34 C ATOM 171 C GLU A 11 -4.767 -1.446 9.745 1.00 2.20 C ATOM 172 O GLU A 11 -4.567 -1.352 8.527 1.00 75.45 O ATOM 173 CB GLU A 11 -3.844 -2.931 11.582 1.00 33.25 C ATOM 174 CG GLU A 11 -2.387 -2.857 11.072 1.00 14.22 C ATOM 175 CD GLU A 11 -1.343 -2.865 12.193 1.00 63.53 C ATOM 176 OE1 GLU A 11 -1.167 -1.818 12.854 1.00 52.13 O ATOM 177 OE2 GLU A 11 -0.717 -3.923 12.438 1.00 63.12 O ATOM 0 H GLU A 11 -4.100 -3.784 8.758 1.00 5.43 H new ATOM 0 HA GLU A 11 -5.923 -2.866 10.848 1.00 5.34 H new ATOM 0 HB2 GLU A 11 -4.008 -2.131 12.303 1.00 33.25 H new ATOM 0 HB3 GLU A 11 -3.987 -3.872 12.112 1.00 33.25 H new ATOM 0 HG2 GLU A 11 -2.200 -3.700 10.407 1.00 14.22 H new ATOM 0 HG3 GLU A 11 -2.264 -1.951 10.479 1.00 14.22 H new ATOM 184 N HIS A 12 -4.885 -0.394 10.576 1.00 5.34 N ATOM 185 CA HIS A 12 -4.624 1.010 10.210 1.00 53.12 C ATOM 186 C HIS A 12 -3.162 1.393 10.591 1.00 11.40 C ATOM 187 O HIS A 12 -2.851 1.664 11.756 1.00 32.05 O ATOM 188 CB HIS A 12 -5.687 1.936 10.888 1.00 74.31 C ATOM 189 CG HIS A 12 -6.007 1.596 12.329 1.00 44.01 C ATOM 190 ND1 HIS A 12 -6.952 0.653 12.681 1.00 61.22 N ATOM 191 CD2 HIS A 12 -5.504 2.062 13.496 1.00 70.44 C ATOM 192 CE1 HIS A 12 -7.011 0.553 13.994 1.00 31.40 C ATOM 193 NE2 HIS A 12 -6.144 1.395 14.513 1.00 51.33 N ATOM 0 H HIS A 12 -5.173 -0.501 11.549 1.00 5.34 H new ATOM 0 HA HIS A 12 -4.719 1.143 9.132 1.00 53.12 H new ATOM 0 HB2 HIS A 12 -5.331 2.965 10.844 1.00 74.31 H new ATOM 0 HB3 HIS A 12 -6.608 1.892 10.307 1.00 74.31 H new ATOM 0 HD2 HIS A 12 -4.741 2.818 13.607 1.00 70.44 H new ATOM 0 HE1 HIS A 12 -7.661 -0.108 14.549 1.00 31.40 H new ATOM 0 HE2 HIS A 12 -5.974 1.531 15.510 1.00 51.33 H new ATOM 202 N VAL A 13 -2.268 1.376 9.584 1.00 52.42 N ATOM 203 CA VAL A 13 -0.811 1.564 9.773 1.00 74.32 C ATOM 204 C VAL A 13 -0.416 3.067 9.752 1.00 33.11 C ATOM 205 O VAL A 13 -0.510 3.735 8.715 1.00 53.51 O ATOM 206 CB VAL A 13 -0.002 0.786 8.665 1.00 31.12 C ATOM 207 CG1 VAL A 13 1.533 0.903 8.870 1.00 11.33 C ATOM 208 CG2 VAL A 13 -0.443 -0.697 8.595 1.00 12.21 C ATOM 0 H VAL A 13 -2.535 1.231 8.610 1.00 52.42 H new ATOM 0 HA VAL A 13 -0.559 1.161 10.754 1.00 74.32 H new ATOM 0 HB VAL A 13 -0.233 1.257 7.709 1.00 31.12 H new ATOM 0 HG11 VAL A 13 2.048 0.352 8.083 1.00 11.33 H new ATOM 0 HG12 VAL A 13 1.827 1.952 8.830 1.00 11.33 H new ATOM 0 HG13 VAL A 13 1.803 0.488 9.841 1.00 11.33 H new ATOM 0 HG21 VAL A 13 0.130 -1.211 7.823 1.00 12.21 H new ATOM 0 HG22 VAL A 13 -0.265 -1.175 9.558 1.00 12.21 H new ATOM 0 HG23 VAL A 13 -1.505 -0.750 8.354 1.00 12.21 H new ATOM 218 N PHE A 14 0.014 3.584 10.915 1.00 31.33 N ATOM 219 CA PHE A 14 0.522 4.969 11.050 1.00 21.35 C ATOM 220 C PHE A 14 2.010 5.058 10.619 1.00 22.42 C ATOM 221 O PHE A 14 2.884 4.434 11.228 1.00 11.31 O ATOM 222 CB PHE A 14 0.350 5.464 12.505 1.00 35.53 C ATOM 223 CG PHE A 14 -1.106 5.664 12.923 1.00 23.00 C ATOM 224 CD1 PHE A 14 -1.848 4.625 13.484 1.00 72.24 C ATOM 225 CD2 PHE A 14 -1.736 6.897 12.740 1.00 44.53 C ATOM 226 CE1 PHE A 14 -3.166 4.817 13.855 1.00 51.24 C ATOM 227 CE2 PHE A 14 -3.053 7.085 13.112 1.00 60.13 C ATOM 228 CZ PHE A 14 -3.768 6.044 13.666 1.00 44.43 C ATOM 0 H PHE A 14 0.021 3.059 11.789 1.00 31.33 H new ATOM 0 HA PHE A 14 -0.060 5.612 10.390 1.00 21.35 H new ATOM 0 HB2 PHE A 14 0.816 4.746 13.180 1.00 35.53 H new ATOM 0 HB3 PHE A 14 0.884 6.407 12.623 1.00 35.53 H new ATOM 0 HD1 PHE A 14 -1.388 3.659 13.630 1.00 72.24 H new ATOM 0 HD2 PHE A 14 -1.185 7.716 12.301 1.00 44.53 H new ATOM 0 HE1 PHE A 14 -3.726 4.004 14.294 1.00 51.24 H new ATOM 0 HE2 PHE A 14 -3.523 8.047 12.969 1.00 60.13 H new ATOM 0 HZ PHE A 14 -4.799 6.189 13.952 1.00 44.43 H new ATOM 238 N VAL A 15 2.273 5.833 9.554 1.00 65.22 N ATOM 239 CA VAL A 15 3.624 6.027 8.974 1.00 53.25 C ATOM 240 C VAL A 15 4.137 7.467 9.256 1.00 33.11 C ATOM 241 O VAL A 15 3.357 8.410 9.293 1.00 63.50 O ATOM 242 CB VAL A 15 3.600 5.754 7.424 1.00 74.11 C ATOM 243 CG1 VAL A 15 5.017 5.837 6.808 1.00 50.44 C ATOM 244 CG2 VAL A 15 2.934 4.387 7.112 1.00 33.14 C ATOM 0 H VAL A 15 1.547 6.352 9.060 1.00 65.22 H new ATOM 0 HA VAL A 15 4.304 5.317 9.444 1.00 53.25 H new ATOM 0 HB VAL A 15 2.999 6.537 6.962 1.00 74.11 H new ATOM 0 HG11 VAL A 15 4.960 5.643 5.737 1.00 50.44 H new ATOM 0 HG12 VAL A 15 5.429 6.832 6.975 1.00 50.44 H new ATOM 0 HG13 VAL A 15 5.662 5.094 7.278 1.00 50.44 H new ATOM 0 HG21 VAL A 15 2.930 4.222 6.035 1.00 33.14 H new ATOM 0 HG22 VAL A 15 3.495 3.589 7.599 1.00 33.14 H new ATOM 0 HG23 VAL A 15 1.909 4.389 7.483 1.00 33.14 H new ATOM 254 N HIS A 16 5.449 7.620 9.497 1.00 11.53 N ATOM 255 CA HIS A 16 6.095 8.937 9.736 1.00 41.14 C ATOM 256 C HIS A 16 7.071 9.286 8.584 1.00 12.23 C ATOM 257 O HIS A 16 7.933 8.472 8.235 1.00 24.20 O ATOM 258 CB HIS A 16 6.843 8.904 11.091 1.00 63.13 C ATOM 259 CG HIS A 16 5.959 8.524 12.254 1.00 23.02 C ATOM 260 ND1 HIS A 16 5.988 7.277 12.852 1.00 33.33 N ATOM 261 CD2 HIS A 16 5.007 9.226 12.915 1.00 41.21 C ATOM 262 CE1 HIS A 16 5.093 7.228 13.817 1.00 23.22 C ATOM 263 NE2 HIS A 16 4.487 8.396 13.877 1.00 42.12 N ATOM 0 H HIS A 16 6.101 6.836 9.533 1.00 11.53 H new ATOM 0 HA HIS A 16 5.327 9.710 9.769 1.00 41.14 H new ATOM 0 HB2 HIS A 16 7.669 8.195 11.025 1.00 63.13 H new ATOM 0 HB3 HIS A 16 7.279 9.885 11.281 1.00 63.13 H new ATOM 0 HD2 HIS A 16 4.713 10.247 12.721 1.00 41.21 H new ATOM 0 HE1 HIS A 16 4.891 6.377 14.450 1.00 23.22 H new ATOM 0 HE2 HIS A 16 3.748 8.645 14.535 1.00 42.12 H new ATOM 272 N ALA A 17 6.932 10.495 8.003 1.00 55.30 N ATOM 273 CA ALA A 17 7.782 10.950 6.877 1.00 4.34 C ATOM 274 C ALA A 17 8.116 12.454 6.987 1.00 53.14 C ATOM 275 O ALA A 17 7.254 13.298 6.794 1.00 62.43 O ATOM 276 CB ALA A 17 7.070 10.667 5.549 1.00 33.14 C ATOM 0 H ALA A 17 6.235 11.180 8.296 1.00 55.30 H new ATOM 0 HA ALA A 17 8.721 10.399 6.917 1.00 4.34 H new ATOM 0 HB1 ALA A 17 7.696 11.002 4.722 1.00 33.14 H new ATOM 0 HB2 ALA A 17 6.887 9.597 5.455 1.00 33.14 H new ATOM 0 HB3 ALA A 17 6.120 11.201 5.524 1.00 33.14 H new ATOM 282 N ILE A 18 9.385 12.787 7.264 1.00 40.25 N ATOM 283 CA ILE A 18 9.847 14.190 7.363 1.00 71.32 C ATOM 284 C ILE A 18 10.267 14.703 5.948 1.00 31.14 C ATOM 285 O ILE A 18 11.457 14.768 5.622 1.00 75.10 O ATOM 286 CB ILE A 18 11.034 14.356 8.408 1.00 73.24 C ATOM 287 CG1 ILE A 18 10.692 13.735 9.818 1.00 54.34 C ATOM 288 CG2 ILE A 18 11.443 15.849 8.566 1.00 42.22 C ATOM 289 CD1 ILE A 18 10.778 12.213 9.927 1.00 60.11 C ATOM 0 H ILE A 18 10.121 12.100 7.426 1.00 40.25 H new ATOM 0 HA ILE A 18 9.020 14.796 7.734 1.00 71.32 H new ATOM 0 HB ILE A 18 11.878 13.800 8.001 1.00 73.24 H new ATOM 0 HG12 ILE A 18 11.367 14.169 10.556 1.00 54.34 H new ATOM 0 HG13 ILE A 18 9.682 14.041 10.091 1.00 54.34 H new ATOM 0 HG21 ILE A 18 12.257 15.929 9.287 1.00 42.22 H new ATOM 0 HG22 ILE A 18 11.772 16.240 7.603 1.00 42.22 H new ATOM 0 HG23 ILE A 18 10.588 16.425 8.919 1.00 42.22 H new ATOM 0 HD11 ILE A 18 10.521 11.906 10.941 1.00 60.11 H new ATOM 0 HD12 ILE A 18 10.082 11.758 9.223 1.00 60.11 H new ATOM 0 HD13 ILE A 18 11.792 11.888 9.695 1.00 60.11 H new ATOM 301 N THR A 19 9.241 14.958 5.104 1.00 70.22 N ATOM 302 CA THR A 19 9.354 15.544 3.724 1.00 52.03 C ATOM 303 C THR A 19 10.286 14.734 2.766 1.00 53.44 C ATOM 304 O THR A 19 9.814 14.016 1.880 1.00 3.42 O ATOM 305 CB THR A 19 9.785 17.058 3.760 1.00 55.34 C ATOM 306 OG1 THR A 19 8.918 17.795 4.646 1.00 42.55 O ATOM 307 CG2 THR A 19 9.741 17.712 2.361 1.00 63.22 C ATOM 0 H THR A 19 8.274 14.759 5.362 1.00 70.22 H new ATOM 0 HA THR A 19 8.348 15.476 3.309 1.00 52.03 H new ATOM 0 HB THR A 19 10.814 17.089 4.118 1.00 55.34 H new ATOM 0 HG1 THR A 19 9.193 18.736 4.665 1.00 42.55 H new ATOM 0 HG21 THR A 19 10.046 18.756 2.437 1.00 63.22 H new ATOM 0 HG22 THR A 19 10.419 17.184 1.691 1.00 63.22 H new ATOM 0 HG23 THR A 19 8.726 17.659 1.966 1.00 63.22 H new ATOM 315 N SER A 20 11.615 14.851 2.974 1.00 74.52 N ATOM 316 CA SER A 20 12.661 14.167 2.164 1.00 44.10 C ATOM 317 C SER A 20 12.609 12.616 2.281 1.00 65.43 C ATOM 318 O SER A 20 13.220 11.908 1.466 1.00 31.51 O ATOM 319 CB SER A 20 14.061 14.656 2.621 1.00 22.44 C ATOM 320 OG SER A 20 14.193 16.065 2.508 1.00 73.21 O ATOM 0 H SER A 20 12.003 15.430 3.719 1.00 74.52 H new ATOM 0 HA SER A 20 12.471 14.421 1.121 1.00 44.10 H new ATOM 0 HB2 SER A 20 14.230 14.357 3.656 1.00 22.44 H new ATOM 0 HB3 SER A 20 14.829 14.170 2.020 1.00 22.44 H new ATOM 0 HG SER A 20 15.087 16.335 2.806 1.00 73.21 H new ATOM 326 N GLU A 21 11.895 12.108 3.304 1.00 61.32 N ATOM 327 CA GLU A 21 11.836 10.667 3.625 1.00 44.54 C ATOM 328 C GLU A 21 11.088 9.833 2.557 1.00 64.22 C ATOM 329 O GLU A 21 9.966 10.166 2.158 1.00 44.40 O ATOM 330 CB GLU A 21 11.189 10.458 5.022 1.00 55.13 C ATOM 331 CG GLU A 21 11.976 11.083 6.190 1.00 32.21 C ATOM 332 CD GLU A 21 13.399 10.522 6.334 1.00 62.03 C ATOM 333 OE1 GLU A 21 13.560 9.434 6.928 1.00 41.22 O ATOM 334 OE2 GLU A 21 14.362 11.153 5.849 1.00 45.02 O ATOM 0 H GLU A 21 11.340 12.687 3.934 1.00 61.32 H new ATOM 0 HA GLU A 21 12.864 10.306 3.635 1.00 44.54 H new ATOM 0 HB2 GLU A 21 10.184 10.881 5.010 1.00 55.13 H new ATOM 0 HB3 GLU A 21 11.083 9.388 5.203 1.00 55.13 H new ATOM 0 HG2 GLU A 21 12.031 12.162 6.045 1.00 32.21 H new ATOM 0 HG3 GLU A 21 11.431 10.913 7.118 1.00 32.21 H new ATOM 341 N CYS A 22 11.744 8.744 2.113 1.00 31.32 N ATOM 342 CA CYS A 22 11.160 7.754 1.192 1.00 55.22 C ATOM 343 C CYS A 22 10.267 6.750 1.962 1.00 1.53 C ATOM 344 O CYS A 22 10.700 6.142 2.946 1.00 1.13 O ATOM 345 CB CYS A 22 12.286 7.020 0.423 1.00 35.31 C ATOM 346 SG CYS A 22 13.536 6.231 1.474 1.00 24.44 S ATOM 0 H CYS A 22 12.702 8.526 2.387 1.00 31.32 H new ATOM 0 HA CYS A 22 10.529 8.273 0.470 1.00 55.22 H new ATOM 0 HB2 CYS A 22 11.835 6.259 -0.214 1.00 35.31 H new ATOM 0 HB3 CYS A 22 12.782 7.734 -0.235 1.00 35.31 H new ATOM 0 HG CYS A 22 12.976 5.801 2.566 1.00 24.44 H new ATOM 352 N VAL A 23 9.004 6.609 1.520 1.00 30.34 N ATOM 353 CA VAL A 23 7.988 5.730 2.155 1.00 51.14 C ATOM 354 C VAL A 23 7.425 4.712 1.137 1.00 52.32 C ATOM 355 O VAL A 23 7.125 5.070 0.001 1.00 10.04 O ATOM 356 CB VAL A 23 6.817 6.603 2.762 1.00 24.12 C ATOM 357 CG1 VAL A 23 5.595 5.748 3.184 1.00 5.32 C ATOM 358 CG2 VAL A 23 7.330 7.443 3.959 1.00 15.10 C ATOM 0 H VAL A 23 8.650 7.105 0.702 1.00 30.34 H new ATOM 0 HA VAL A 23 8.470 5.174 2.959 1.00 51.14 H new ATOM 0 HB VAL A 23 6.479 7.274 1.972 1.00 24.12 H new ATOM 0 HG11 VAL A 23 4.821 6.397 3.594 1.00 5.32 H new ATOM 0 HG12 VAL A 23 5.203 5.220 2.315 1.00 5.32 H new ATOM 0 HG13 VAL A 23 5.900 5.025 3.941 1.00 5.32 H new ATOM 0 HG21 VAL A 23 6.511 8.037 4.364 1.00 15.10 H new ATOM 0 HG22 VAL A 23 7.713 6.778 4.733 1.00 15.10 H new ATOM 0 HG23 VAL A 23 8.128 8.106 3.623 1.00 15.10 H new ATOM 368 N MET A 24 7.279 3.436 1.558 1.00 51.43 N ATOM 369 CA MET A 24 6.669 2.378 0.725 1.00 11.54 C ATOM 370 C MET A 24 5.529 1.667 1.506 1.00 45.54 C ATOM 371 O MET A 24 5.780 0.871 2.414 1.00 1.11 O ATOM 372 CB MET A 24 7.752 1.368 0.255 1.00 10.20 C ATOM 373 CG MET A 24 7.261 0.350 -0.786 1.00 22.14 C ATOM 374 SD MET A 24 8.565 -0.762 -1.362 1.00 0.15 S ATOM 375 CE MET A 24 9.766 0.381 -2.054 1.00 11.23 C ATOM 0 H MET A 24 7.579 3.113 2.478 1.00 51.43 H new ATOM 0 HA MET A 24 6.231 2.834 -0.163 1.00 11.54 H new ATOM 0 HB2 MET A 24 8.591 1.923 -0.165 1.00 10.20 H new ATOM 0 HB3 MET A 24 8.129 0.828 1.123 1.00 10.20 H new ATOM 0 HG2 MET A 24 6.453 -0.241 -0.355 1.00 22.14 H new ATOM 0 HG3 MET A 24 6.845 0.885 -1.640 1.00 22.14 H new ATOM 0 HE1 MET A 24 10.434 -0.156 -2.727 1.00 11.23 H new ATOM 0 HE2 MET A 24 9.247 1.164 -2.607 1.00 11.23 H new ATOM 0 HE3 MET A 24 10.347 0.830 -1.248 1.00 11.23 H new ATOM 385 N LEU A 25 4.278 2.010 1.152 1.00 63.12 N ATOM 386 CA LEU A 25 3.058 1.445 1.769 1.00 13.03 C ATOM 387 C LEU A 25 2.763 0.039 1.193 1.00 41.53 C ATOM 388 O LEU A 25 2.274 -0.076 0.070 1.00 62.13 O ATOM 389 CB LEU A 25 1.861 2.390 1.485 1.00 32.21 C ATOM 390 CG LEU A 25 2.067 3.892 1.853 1.00 22.15 C ATOM 391 CD1 LEU A 25 0.889 4.746 1.357 1.00 15.31 C ATOM 392 CD2 LEU A 25 2.292 4.084 3.370 1.00 2.14 C ATOM 0 H LEU A 25 4.080 2.694 0.422 1.00 63.12 H new ATOM 0 HA LEU A 25 3.210 1.354 2.844 1.00 13.03 H new ATOM 0 HB2 LEU A 25 1.619 2.327 0.424 1.00 32.21 H new ATOM 0 HB3 LEU A 25 0.994 2.019 2.032 1.00 32.21 H new ATOM 0 HG LEU A 25 2.970 4.231 1.346 1.00 22.15 H new ATOM 0 HD11 LEU A 25 1.057 5.789 1.626 1.00 15.31 H new ATOM 0 HD12 LEU A 25 0.808 4.659 0.273 1.00 15.31 H new ATOM 0 HD13 LEU A 25 -0.034 4.396 1.819 1.00 15.31 H new ATOM 0 HD21 LEU A 25 2.431 5.143 3.586 1.00 2.14 H new ATOM 0 HD22 LEU A 25 1.425 3.713 3.916 1.00 2.14 H new ATOM 0 HD23 LEU A 25 3.179 3.531 3.679 1.00 2.14 H new ATOM 404 N ALA A 26 3.073 -1.018 1.958 1.00 15.14 N ATOM 405 CA ALA A 26 2.923 -2.418 1.491 1.00 20.40 C ATOM 406 C ALA A 26 1.499 -2.969 1.763 1.00 11.12 C ATOM 407 O ALA A 26 1.002 -2.883 2.889 1.00 4.43 O ATOM 408 CB ALA A 26 3.987 -3.308 2.162 1.00 11.20 C ATOM 0 H ALA A 26 3.432 -0.936 2.909 1.00 15.14 H new ATOM 0 HA ALA A 26 3.071 -2.431 0.411 1.00 20.40 H new ATOM 0 HB1 ALA A 26 3.873 -4.335 1.816 1.00 11.20 H new ATOM 0 HB2 ALA A 26 4.981 -2.946 1.901 1.00 11.20 H new ATOM 0 HB3 ALA A 26 3.860 -3.273 3.244 1.00 11.20 H new ATOM 414 N CYS A 27 0.846 -3.492 0.708 1.00 44.34 N ATOM 415 CA CYS A 27 -0.408 -4.284 0.814 1.00 64.24 C ATOM 416 C CYS A 27 -0.300 -5.565 -0.045 1.00 0.24 C ATOM 417 O CYS A 27 -0.259 -5.498 -1.258 1.00 71.44 O ATOM 418 CB CYS A 27 -1.621 -3.444 0.341 1.00 21.13 C ATOM 419 SG CYS A 27 -1.891 -1.945 1.302 1.00 5.21 S ATOM 0 H CYS A 27 1.171 -3.379 -0.252 1.00 44.34 H new ATOM 0 HA CYS A 27 -0.554 -4.560 1.858 1.00 64.24 H new ATOM 0 HB2 CYS A 27 -1.476 -3.172 -0.705 1.00 21.13 H new ATOM 0 HB3 CYS A 27 -2.518 -4.061 0.389 1.00 21.13 H new ATOM 0 HG CYS A 27 -1.594 -0.906 0.579 1.00 5.21 H new ATOM 425 N GLU A 28 -0.272 -6.731 0.595 1.00 53.32 N ATOM 426 CA GLU A 28 -0.236 -8.041 -0.088 1.00 74.10 C ATOM 427 C GLU A 28 -1.626 -8.707 -0.053 1.00 13.24 C ATOM 428 O GLU A 28 -2.258 -8.809 1.006 1.00 13.24 O ATOM 429 CB GLU A 28 0.856 -8.929 0.572 1.00 13.21 C ATOM 430 CG GLU A 28 2.294 -8.376 0.367 1.00 13.12 C ATOM 431 CD GLU A 28 3.373 -8.920 1.325 1.00 12.20 C ATOM 432 OE1 GLU A 28 3.060 -9.706 2.242 1.00 24.24 O ATOM 433 OE2 GLU A 28 4.551 -8.528 1.168 1.00 41.20 O ATOM 0 H GLU A 28 -0.273 -6.804 1.612 1.00 53.32 H new ATOM 0 HA GLU A 28 0.022 -7.906 -1.138 1.00 74.10 H new ATOM 0 HB2 GLU A 28 0.653 -9.011 1.640 1.00 13.21 H new ATOM 0 HB3 GLU A 28 0.797 -9.936 0.158 1.00 13.21 H new ATOM 0 HG2 GLU A 28 2.602 -8.593 -0.656 1.00 13.12 H new ATOM 0 HG3 GLU A 28 2.262 -7.291 0.467 1.00 13.12 H new ATOM 440 N VAL A 29 -2.098 -9.131 -1.231 1.00 21.01 N ATOM 441 CA VAL A 29 -3.422 -9.758 -1.409 1.00 62.40 C ATOM 442 C VAL A 29 -3.326 -11.303 -1.370 1.00 5.33 C ATOM 443 O VAL A 29 -2.319 -11.891 -1.781 1.00 62.32 O ATOM 444 CB VAL A 29 -4.093 -9.286 -2.761 1.00 11.11 C ATOM 445 CG1 VAL A 29 -4.442 -7.779 -2.712 1.00 41.41 C ATOM 446 CG2 VAL A 29 -3.187 -9.596 -3.985 1.00 41.44 C ATOM 0 H VAL A 29 -1.569 -9.050 -2.100 1.00 21.01 H new ATOM 0 HA VAL A 29 -4.049 -9.436 -0.578 1.00 62.40 H new ATOM 0 HB VAL A 29 -5.019 -9.849 -2.878 1.00 11.11 H new ATOM 0 HG11 VAL A 29 -4.902 -7.481 -3.654 1.00 41.41 H new ATOM 0 HG12 VAL A 29 -5.138 -7.593 -1.894 1.00 41.41 H new ATOM 0 HG13 VAL A 29 -3.532 -7.200 -2.553 1.00 41.41 H new ATOM 0 HG21 VAL A 29 -3.679 -9.258 -4.897 1.00 41.44 H new ATOM 0 HG22 VAL A 29 -2.235 -9.078 -3.873 1.00 41.44 H new ATOM 0 HG23 VAL A 29 -3.011 -10.670 -4.044 1.00 41.44 H new ATOM 456 N ASP A 30 -4.381 -11.940 -0.840 1.00 32.34 N ATOM 457 CA ASP A 30 -4.542 -13.409 -0.859 1.00 62.01 C ATOM 458 C ASP A 30 -4.753 -13.914 -2.314 1.00 13.14 C ATOM 459 O ASP A 30 -4.102 -14.865 -2.762 1.00 24.23 O ATOM 460 CB ASP A 30 -5.745 -13.796 0.040 1.00 45.40 C ATOM 461 CG ASP A 30 -5.962 -15.320 0.163 1.00 40.31 C ATOM 462 OD1 ASP A 30 -5.376 -15.943 1.074 1.00 52.54 O ATOM 463 OD2 ASP A 30 -6.734 -15.896 -0.643 1.00 14.11 O ATOM 0 H ASP A 30 -5.152 -11.452 -0.383 1.00 32.34 H new ATOM 0 HA ASP A 30 -3.639 -13.881 -0.472 1.00 62.01 H new ATOM 0 HB2 ASP A 30 -5.593 -13.378 1.035 1.00 45.40 H new ATOM 0 HB3 ASP A 30 -6.650 -13.340 -0.363 1.00 45.40 H new ATOM 468 N ARG A 31 -5.672 -13.244 -3.036 1.00 1.34 N ATOM 469 CA ARG A 31 -5.990 -13.539 -4.450 1.00 43.25 C ATOM 470 C ARG A 31 -4.997 -12.745 -5.343 1.00 12.33 C ATOM 471 O ARG A 31 -5.220 -11.560 -5.606 1.00 52.53 O ATOM 472 CB ARG A 31 -7.481 -13.143 -4.738 1.00 11.03 C ATOM 473 CG ARG A 31 -8.192 -13.827 -5.942 1.00 72.34 C ATOM 474 CD ARG A 31 -7.547 -13.545 -7.315 1.00 12.34 C ATOM 475 NE ARG A 31 -8.454 -13.837 -8.438 1.00 11.54 N ATOM 476 CZ ARG A 31 -8.332 -14.810 -9.314 1.00 21.51 C ATOM 477 NH1 ARG A 31 -7.407 -15.710 -9.212 1.00 54.31 N ATOM 478 NH2 ARG A 31 -9.168 -14.884 -10.291 1.00 61.32 N ATOM 0 H ARG A 31 -6.221 -12.475 -2.652 1.00 1.34 H new ATOM 0 HA ARG A 31 -5.884 -14.602 -4.668 1.00 43.25 H new ATOM 0 HB2 ARG A 31 -8.063 -13.354 -3.841 1.00 11.03 H new ATOM 0 HB3 ARG A 31 -7.517 -12.065 -4.895 1.00 11.03 H new ATOM 0 HG2 ARG A 31 -8.204 -14.904 -5.776 1.00 72.34 H new ATOM 0 HG3 ARG A 31 -9.231 -13.497 -5.969 1.00 72.34 H new ATOM 0 HD2 ARG A 31 -7.243 -12.499 -7.361 1.00 12.34 H new ATOM 0 HD3 ARG A 31 -6.643 -14.145 -7.418 1.00 12.34 H new ATOM 0 HE ARG A 31 -9.260 -13.221 -8.547 1.00 11.54 H new ATOM 0 HH11 ARG A 31 -6.747 -15.677 -8.435 1.00 54.31 H new ATOM 0 HH12 ARG A 31 -7.339 -16.452 -9.908 1.00 54.31 H new ATOM 0 HH21 ARG A 31 -9.913 -14.193 -10.378 1.00 61.32 H new ATOM 0 HH22 ARG A 31 -9.085 -15.634 -10.978 1.00 61.32 H new ATOM 492 N GLU A 32 -3.907 -13.414 -5.771 1.00 63.31 N ATOM 493 CA GLU A 32 -2.808 -12.809 -6.582 1.00 42.43 C ATOM 494 C GLU A 32 -3.318 -12.029 -7.822 1.00 55.41 C ATOM 495 O GLU A 32 -2.985 -10.853 -8.016 1.00 50.34 O ATOM 496 CB GLU A 32 -1.837 -13.927 -7.051 1.00 61.40 C ATOM 497 CG GLU A 32 -0.712 -13.465 -8.010 1.00 35.22 C ATOM 498 CD GLU A 32 0.138 -14.626 -8.541 1.00 62.34 C ATOM 499 OE1 GLU A 32 -0.251 -15.246 -9.555 1.00 44.33 O ATOM 500 OE2 GLU A 32 1.192 -14.932 -7.947 1.00 61.03 O ATOM 0 H GLU A 32 -3.755 -14.401 -5.566 1.00 63.31 H new ATOM 0 HA GLU A 32 -2.301 -12.091 -5.937 1.00 42.43 H new ATOM 0 HB2 GLU A 32 -1.379 -14.381 -6.172 1.00 61.40 H new ATOM 0 HB3 GLU A 32 -2.417 -14.706 -7.546 1.00 61.40 H new ATOM 0 HG2 GLU A 32 -1.155 -12.932 -8.851 1.00 35.22 H new ATOM 0 HG3 GLU A 32 -0.066 -12.758 -7.490 1.00 35.22 H new ATOM 507 N ASP A 33 -4.139 -12.705 -8.642 1.00 31.23 N ATOM 508 CA ASP A 33 -4.593 -12.202 -9.963 1.00 63.51 C ATOM 509 C ASP A 33 -5.530 -10.968 -9.874 1.00 33.43 C ATOM 510 O ASP A 33 -5.856 -10.362 -10.899 1.00 21.22 O ATOM 511 CB ASP A 33 -5.304 -13.342 -10.723 1.00 34.30 C ATOM 512 CG ASP A 33 -4.457 -14.621 -10.782 1.00 55.43 C ATOM 513 OD1 ASP A 33 -4.546 -15.449 -9.843 1.00 72.11 O ATOM 514 OD2 ASP A 33 -3.684 -14.798 -11.745 1.00 12.31 O ATOM 0 H ASP A 33 -4.514 -13.625 -8.411 1.00 31.23 H new ATOM 0 HA ASP A 33 -3.702 -11.871 -10.497 1.00 63.51 H new ATOM 0 HB2 ASP A 33 -6.255 -13.561 -10.238 1.00 34.30 H new ATOM 0 HB3 ASP A 33 -5.532 -13.013 -11.737 1.00 34.30 H new ATOM 519 N ALA A 34 -5.982 -10.613 -8.655 1.00 12.13 N ATOM 520 CA ALA A 34 -6.830 -9.422 -8.424 1.00 40.23 C ATOM 521 C ALA A 34 -5.966 -8.214 -7.951 1.00 1.24 C ATOM 522 O ALA A 34 -5.131 -8.369 -7.048 1.00 44.25 O ATOM 523 CB ALA A 34 -7.921 -9.753 -7.403 1.00 30.42 C ATOM 0 H ALA A 34 -5.772 -11.139 -7.806 1.00 12.13 H new ATOM 0 HA ALA A 34 -7.307 -9.139 -9.362 1.00 40.23 H new ATOM 0 HB1 ALA A 34 -8.542 -8.873 -7.236 1.00 30.42 H new ATOM 0 HB2 ALA A 34 -8.539 -10.567 -7.782 1.00 30.42 H new ATOM 0 HB3 ALA A 34 -7.460 -10.055 -6.463 1.00 30.42 H new ATOM 529 N PRO A 35 -6.131 -6.996 -8.570 1.00 60.13 N ATOM 530 CA PRO A 35 -5.339 -5.786 -8.205 1.00 22.11 C ATOM 531 C PRO A 35 -5.896 -5.010 -6.978 1.00 5.42 C ATOM 532 O PRO A 35 -6.903 -5.399 -6.378 1.00 10.24 O ATOM 533 CB PRO A 35 -5.441 -4.947 -9.500 1.00 32.33 C ATOM 534 CG PRO A 35 -6.819 -5.236 -10.016 1.00 73.50 C ATOM 535 CD PRO A 35 -7.082 -6.697 -9.684 1.00 33.23 C ATOM 0 HA PRO A 35 -4.324 -6.031 -7.893 1.00 22.11 H new ATOM 0 HB2 PRO A 35 -5.306 -3.884 -9.298 1.00 32.33 H new ATOM 0 HB3 PRO A 35 -4.677 -5.234 -10.222 1.00 32.33 H new ATOM 0 HG2 PRO A 35 -7.558 -4.588 -9.545 1.00 73.50 H new ATOM 0 HG3 PRO A 35 -6.880 -5.061 -11.090 1.00 73.50 H new ATOM 0 HD2 PRO A 35 -8.116 -6.856 -9.379 1.00 33.23 H new ATOM 0 HD3 PRO A 35 -6.901 -7.340 -10.545 1.00 33.23 H new ATOM 543 N VAL A 36 -5.210 -3.908 -6.614 1.00 72.13 N ATOM 544 CA VAL A 36 -5.655 -2.991 -5.536 1.00 64.04 C ATOM 545 C VAL A 36 -6.054 -1.600 -6.093 1.00 21.03 C ATOM 546 O VAL A 36 -5.774 -1.255 -7.248 1.00 73.02 O ATOM 547 CB VAL A 36 -4.561 -2.805 -4.418 1.00 35.44 C ATOM 548 CG1 VAL A 36 -4.347 -4.106 -3.611 1.00 24.14 C ATOM 549 CG2 VAL A 36 -3.230 -2.286 -5.017 1.00 52.42 C ATOM 0 H VAL A 36 -4.335 -3.626 -7.055 1.00 72.13 H new ATOM 0 HA VAL A 36 -6.530 -3.463 -5.089 1.00 64.04 H new ATOM 0 HB VAL A 36 -4.928 -2.049 -3.723 1.00 35.44 H new ATOM 0 HG11 VAL A 36 -3.586 -3.940 -2.849 1.00 24.14 H new ATOM 0 HG12 VAL A 36 -5.283 -4.395 -3.132 1.00 24.14 H new ATOM 0 HG13 VAL A 36 -4.022 -4.901 -4.282 1.00 24.14 H new ATOM 0 HG21 VAL A 36 -2.495 -2.168 -4.221 1.00 52.42 H new ATOM 0 HG22 VAL A 36 -2.858 -3.001 -5.751 1.00 52.42 H new ATOM 0 HG23 VAL A 36 -3.399 -1.324 -5.501 1.00 52.42 H new ATOM 559 N ARG A 37 -6.704 -0.813 -5.226 1.00 52.23 N ATOM 560 CA ARG A 37 -7.212 0.541 -5.531 1.00 62.30 C ATOM 561 C ARG A 37 -6.778 1.507 -4.408 1.00 53.41 C ATOM 562 O ARG A 37 -7.338 1.472 -3.320 1.00 62.45 O ATOM 563 CB ARG A 37 -8.768 0.505 -5.632 1.00 21.15 C ATOM 564 CG ARG A 37 -9.343 -0.392 -6.753 1.00 31.23 C ATOM 565 CD ARG A 37 -9.149 0.208 -8.157 1.00 71.21 C ATOM 566 NE ARG A 37 -9.767 1.544 -8.268 1.00 13.44 N ATOM 567 CZ ARG A 37 -10.998 1.797 -8.674 1.00 74.03 C ATOM 568 NH1 ARG A 37 -11.836 0.840 -8.939 1.00 30.41 N ATOM 569 NH2 ARG A 37 -11.383 3.019 -8.789 1.00 22.41 N ATOM 0 H ARG A 37 -6.899 -1.103 -4.268 1.00 52.23 H new ATOM 0 HA ARG A 37 -6.804 0.884 -6.482 1.00 62.30 H new ATOM 0 HB2 ARG A 37 -9.169 0.165 -4.677 1.00 21.15 H new ATOM 0 HB3 ARG A 37 -9.128 1.522 -5.784 1.00 21.15 H new ATOM 0 HG2 ARG A 37 -8.863 -1.370 -6.711 1.00 31.23 H new ATOM 0 HG3 ARG A 37 -10.407 -0.551 -6.575 1.00 31.23 H new ATOM 0 HD2 ARG A 37 -8.084 0.280 -8.379 1.00 71.21 H new ATOM 0 HD3 ARG A 37 -9.585 -0.458 -8.901 1.00 71.21 H new ATOM 0 HE ARG A 37 -9.191 2.344 -8.007 1.00 13.44 H new ATOM 0 HH11 ARG A 37 -11.548 -0.133 -8.835 1.00 30.41 H new ATOM 0 HH12 ARG A 37 -12.781 1.062 -9.251 1.00 30.41 H new ATOM 0 HH21 ARG A 37 -10.740 3.779 -8.568 1.00 22.41 H new ATOM 0 HH22 ARG A 37 -12.331 3.228 -9.102 1.00 22.41 H new ATOM 583 N TRP A 38 -5.780 2.357 -4.674 1.00 1.22 N ATOM 584 CA TRP A 38 -5.272 3.337 -3.684 1.00 51.12 C ATOM 585 C TRP A 38 -6.118 4.624 -3.749 1.00 1.31 C ATOM 586 O TRP A 38 -6.510 5.032 -4.830 1.00 63.14 O ATOM 587 CB TRP A 38 -3.776 3.653 -3.957 1.00 53.02 C ATOM 588 CG TRP A 38 -2.867 2.445 -3.880 1.00 24.45 C ATOM 589 CD1 TRP A 38 -2.501 1.616 -4.906 1.00 31.20 C ATOM 590 CD2 TRP A 38 -2.217 1.936 -2.707 1.00 40.21 C ATOM 591 NE1 TRP A 38 -1.666 0.633 -4.442 1.00 11.21 N ATOM 592 CE2 TRP A 38 -1.481 0.802 -3.094 1.00 74.24 C ATOM 593 CE3 TRP A 38 -2.190 2.331 -1.366 1.00 71.31 C ATOM 594 CZ2 TRP A 38 -0.723 0.060 -2.193 1.00 61.52 C ATOM 595 CZ3 TRP A 38 -1.438 1.596 -0.470 1.00 71.05 C ATOM 596 CH2 TRP A 38 -0.717 0.467 -0.887 1.00 61.43 C ATOM 0 H TRP A 38 -5.299 2.392 -5.573 1.00 1.22 H new ATOM 0 HA TRP A 38 -5.353 2.911 -2.684 1.00 51.12 H new ATOM 0 HB2 TRP A 38 -3.685 4.101 -4.946 1.00 53.02 H new ATOM 0 HB3 TRP A 38 -3.435 4.398 -3.237 1.00 53.02 H new ATOM 0 HD1 TRP A 38 -2.823 1.721 -5.931 1.00 31.20 H new ATOM 0 HE1 TRP A 38 -1.249 -0.106 -5.009 1.00 11.21 H new ATOM 0 HE3 TRP A 38 -2.747 3.195 -1.036 1.00 71.31 H new ATOM 0 HZ2 TRP A 38 -0.161 -0.805 -2.513 1.00 61.52 H new ATOM 0 HZ3 TRP A 38 -1.405 1.895 0.567 1.00 71.05 H new ATOM 0 HH2 TRP A 38 -0.145 -0.093 -0.162 1.00 61.43 H new ATOM 607 N TYR A 39 -6.421 5.232 -2.586 1.00 21.13 N ATOM 608 CA TYR A 39 -7.297 6.437 -2.481 1.00 22.12 C ATOM 609 C TYR A 39 -6.666 7.511 -1.575 1.00 64.11 C ATOM 610 O TYR A 39 -5.892 7.187 -0.667 1.00 61.21 O ATOM 611 CB TYR A 39 -8.706 6.069 -1.929 1.00 22.55 C ATOM 612 CG TYR A 39 -9.552 5.178 -2.854 1.00 42.33 C ATOM 613 CD1 TYR A 39 -10.320 5.731 -3.884 1.00 74.54 C ATOM 614 CD2 TYR A 39 -9.571 3.790 -2.710 1.00 43.42 C ATOM 615 CE1 TYR A 39 -11.079 4.934 -4.723 1.00 63.33 C ATOM 616 CE2 TYR A 39 -10.326 2.996 -3.548 1.00 73.33 C ATOM 617 CZ TYR A 39 -11.072 3.570 -4.555 1.00 52.41 C ATOM 618 OH TYR A 39 -11.828 2.773 -5.389 1.00 42.41 O ATOM 0 H TYR A 39 -6.069 4.908 -1.685 1.00 21.13 H new ATOM 0 HA TYR A 39 -7.403 6.837 -3.489 1.00 22.12 H new ATOM 0 HB2 TYR A 39 -8.584 5.562 -0.972 1.00 22.55 H new ATOM 0 HB3 TYR A 39 -9.255 6.990 -1.734 1.00 22.55 H new ATOM 0 HD1 TYR A 39 -10.321 6.801 -4.027 1.00 74.54 H new ATOM 0 HD2 TYR A 39 -8.984 3.330 -1.929 1.00 43.42 H new ATOM 0 HE1 TYR A 39 -11.674 5.382 -5.506 1.00 63.33 H new ATOM 0 HE2 TYR A 39 -10.333 1.924 -3.415 1.00 73.33 H new ATOM 0 HH TYR A 39 -11.711 1.833 -5.138 1.00 42.41 H new ATOM 628 N LYS A 40 -7.032 8.788 -1.825 1.00 3.51 N ATOM 629 CA LYS A 40 -6.514 9.947 -1.069 1.00 32.23 C ATOM 630 C LYS A 40 -7.302 11.243 -1.409 1.00 23.53 C ATOM 631 O LYS A 40 -7.373 11.644 -2.579 1.00 53.41 O ATOM 632 CB LYS A 40 -5.000 10.152 -1.356 1.00 45.11 C ATOM 633 CG LYS A 40 -4.367 11.378 -0.673 1.00 61.34 C ATOM 634 CD LYS A 40 -2.847 11.473 -0.927 1.00 23.31 C ATOM 635 CE LYS A 40 -2.231 12.729 -0.309 1.00 63.50 C ATOM 636 NZ LYS A 40 -2.768 13.965 -0.926 1.00 42.23 N ATOM 0 H LYS A 40 -7.695 9.043 -2.557 1.00 3.51 H new ATOM 0 HA LYS A 40 -6.649 9.737 -0.008 1.00 32.23 H new ATOM 0 HB2 LYS A 40 -4.461 9.259 -1.038 1.00 45.11 H new ATOM 0 HB3 LYS A 40 -4.859 10.242 -2.433 1.00 45.11 H new ATOM 0 HG2 LYS A 40 -4.851 12.284 -1.038 1.00 61.34 H new ATOM 0 HG3 LYS A 40 -4.551 11.328 0.400 1.00 61.34 H new ATOM 0 HD2 LYS A 40 -2.357 10.591 -0.516 1.00 23.31 H new ATOM 0 HD3 LYS A 40 -2.660 11.470 -2.001 1.00 23.31 H new ATOM 0 HE2 LYS A 40 -2.429 12.742 0.763 1.00 63.50 H new ATOM 0 HE3 LYS A 40 -1.148 12.702 -0.432 1.00 63.50 H new ATOM 0 HZ1 LYS A 40 -2.033 14.701 -0.925 1.00 42.23 H new ATOM 0 HZ2 LYS A 40 -3.058 13.767 -1.905 1.00 42.23 H new ATOM 0 HZ3 LYS A 40 -3.590 14.296 -0.382 1.00 42.23 H new ATOM 650 N ASP A 41 -7.894 11.863 -0.362 1.00 63.52 N ATOM 651 CA ASP A 41 -8.533 13.208 -0.407 1.00 42.22 C ATOM 652 C ASP A 41 -9.596 13.339 -1.540 1.00 21.02 C ATOM 653 O ASP A 41 -9.429 14.106 -2.504 1.00 2.11 O ATOM 654 CB ASP A 41 -7.435 14.316 -0.490 1.00 23.41 C ATOM 655 CG ASP A 41 -7.952 15.731 -0.150 1.00 53.31 C ATOM 656 OD1 ASP A 41 -8.101 16.038 1.054 1.00 51.53 O ATOM 657 OD2 ASP A 41 -8.176 16.553 -1.073 1.00 64.20 O ATOM 0 H ASP A 41 -7.944 11.435 0.562 1.00 63.52 H new ATOM 0 HA ASP A 41 -9.090 13.343 0.520 1.00 42.22 H new ATOM 0 HB2 ASP A 41 -6.623 14.062 0.192 1.00 23.41 H new ATOM 0 HB3 ASP A 41 -7.015 14.324 -1.496 1.00 23.41 H new ATOM 662 N GLY A 42 -10.654 12.513 -1.454 1.00 61.11 N ATOM 663 CA GLY A 42 -11.760 12.523 -2.432 1.00 71.20 C ATOM 664 C GLY A 42 -11.479 11.771 -3.752 1.00 3.34 C ATOM 665 O GLY A 42 -12.412 11.281 -4.400 1.00 41.33 O ATOM 0 H GLY A 42 -10.768 11.824 -0.711 1.00 61.11 H new ATOM 0 HA2 GLY A 42 -12.641 12.085 -1.964 1.00 71.20 H new ATOM 0 HA3 GLY A 42 -12.006 13.558 -2.668 1.00 71.20 H new ATOM 669 N GLN A 43 -10.195 11.686 -4.152 1.00 54.11 N ATOM 670 CA GLN A 43 -9.763 11.034 -5.413 1.00 41.10 C ATOM 671 C GLN A 43 -9.117 9.663 -5.120 1.00 74.22 C ATOM 672 O GLN A 43 -9.097 9.206 -3.974 1.00 14.35 O ATOM 673 CB GLN A 43 -8.748 11.945 -6.161 1.00 54.20 C ATOM 674 CG GLN A 43 -9.245 13.378 -6.453 1.00 44.31 C ATOM 675 CD GLN A 43 -8.289 14.193 -7.334 1.00 2.23 C ATOM 676 OE1 GLN A 43 -7.589 13.655 -8.189 1.00 55.24 O ATOM 677 NE2 GLN A 43 -8.240 15.495 -7.122 1.00 61.12 N ATOM 0 H GLN A 43 -9.421 12.069 -3.609 1.00 54.11 H new ATOM 0 HA GLN A 43 -10.640 10.880 -6.041 1.00 41.10 H new ATOM 0 HB2 GLN A 43 -7.835 12.007 -5.569 1.00 54.20 H new ATOM 0 HB3 GLN A 43 -8.484 11.469 -7.105 1.00 54.20 H new ATOM 0 HG2 GLN A 43 -10.218 13.324 -6.941 1.00 44.31 H new ATOM 0 HG3 GLN A 43 -9.391 13.902 -5.509 1.00 44.31 H new ATOM 0 HE21 GLN A 43 -8.831 15.918 -6.406 1.00 61.12 H new ATOM 0 HE22 GLN A 43 -7.611 16.078 -7.674 1.00 61.12 H new ATOM 686 N GLU A 44 -8.626 8.991 -6.176 1.00 10.34 N ATOM 687 CA GLU A 44 -7.770 7.799 -6.032 1.00 41.24 C ATOM 688 C GLU A 44 -6.329 8.115 -6.487 1.00 12.12 C ATOM 689 O GLU A 44 -6.112 8.971 -7.355 1.00 11.23 O ATOM 690 CB GLU A 44 -8.364 6.582 -6.791 1.00 14.11 C ATOM 691 CG GLU A 44 -8.337 6.641 -8.330 1.00 34.00 C ATOM 692 CD GLU A 44 -8.992 5.399 -8.965 1.00 74.35 C ATOM 693 OE1 GLU A 44 -8.428 4.284 -8.840 1.00 14.11 O ATOM 694 OE2 GLU A 44 -10.085 5.520 -9.558 1.00 13.04 O ATOM 0 H GLU A 44 -8.809 9.255 -7.144 1.00 10.34 H new ATOM 0 HA GLU A 44 -7.734 7.525 -4.978 1.00 41.24 H new ATOM 0 HB2 GLU A 44 -7.824 5.689 -6.476 1.00 14.11 H new ATOM 0 HB3 GLU A 44 -9.399 6.457 -6.474 1.00 14.11 H new ATOM 0 HG2 GLU A 44 -8.856 7.538 -8.668 1.00 34.00 H new ATOM 0 HG3 GLU A 44 -7.305 6.722 -8.672 1.00 34.00 H new ATOM 701 N VAL A 45 -5.348 7.436 -5.876 1.00 13.21 N ATOM 702 CA VAL A 45 -3.921 7.687 -6.138 1.00 71.24 C ATOM 703 C VAL A 45 -3.486 7.045 -7.478 1.00 70.34 C ATOM 704 O VAL A 45 -3.570 5.825 -7.656 1.00 53.51 O ATOM 705 CB VAL A 45 -3.000 7.149 -4.979 1.00 45.30 C ATOM 706 CG1 VAL A 45 -1.509 7.506 -5.223 1.00 51.15 C ATOM 707 CG2 VAL A 45 -3.478 7.650 -3.594 1.00 25.31 C ATOM 0 H VAL A 45 -5.518 6.701 -5.190 1.00 13.21 H new ATOM 0 HA VAL A 45 -3.800 8.769 -6.194 1.00 71.24 H new ATOM 0 HB VAL A 45 -3.081 6.062 -4.981 1.00 45.30 H new ATOM 0 HG11 VAL A 45 -0.903 7.119 -4.403 1.00 51.15 H new ATOM 0 HG12 VAL A 45 -1.177 7.061 -6.161 1.00 51.15 H new ATOM 0 HG13 VAL A 45 -1.398 8.589 -5.276 1.00 51.15 H new ATOM 0 HG21 VAL A 45 -2.819 7.259 -2.818 1.00 25.31 H new ATOM 0 HG22 VAL A 45 -3.456 8.740 -3.574 1.00 25.31 H new ATOM 0 HG23 VAL A 45 -4.496 7.304 -3.413 1.00 25.31 H new ATOM 717 N GLU A 46 -3.055 7.897 -8.414 1.00 14.43 N ATOM 718 CA GLU A 46 -2.406 7.488 -9.673 1.00 63.41 C ATOM 719 C GLU A 46 -0.932 7.951 -9.666 1.00 3.24 C ATOM 720 O GLU A 46 -0.517 8.719 -8.783 1.00 71.23 O ATOM 721 CB GLU A 46 -3.164 8.098 -10.884 1.00 14.22 C ATOM 722 CG GLU A 46 -4.635 7.632 -11.021 1.00 60.40 C ATOM 723 CD GLU A 46 -5.368 8.291 -12.207 1.00 62.33 C ATOM 724 OE1 GLU A 46 -5.127 7.882 -13.368 1.00 64.41 O ATOM 725 OE2 GLU A 46 -6.163 9.236 -11.992 1.00 52.42 O ATOM 0 H GLU A 46 -3.147 8.909 -8.320 1.00 14.43 H new ATOM 0 HA GLU A 46 -2.435 6.402 -9.761 1.00 63.41 H new ATOM 0 HB2 GLU A 46 -3.147 9.184 -10.798 1.00 14.22 H new ATOM 0 HB3 GLU A 46 -2.628 7.842 -11.798 1.00 14.22 H new ATOM 0 HG2 GLU A 46 -4.657 6.549 -11.144 1.00 60.40 H new ATOM 0 HG3 GLU A 46 -5.170 7.859 -10.099 1.00 60.40 H new ATOM 732 N GLU A 47 -0.139 7.486 -10.644 1.00 33.11 N ATOM 733 CA GLU A 47 1.282 7.879 -10.754 1.00 52.11 C ATOM 734 C GLU A 47 1.415 9.354 -11.213 1.00 72.43 C ATOM 735 O GLU A 47 0.898 9.730 -12.271 1.00 33.24 O ATOM 736 CB GLU A 47 2.040 6.928 -11.703 1.00 55.53 C ATOM 737 CG GLU A 47 1.944 5.442 -11.293 1.00 20.20 C ATOM 738 CD GLU A 47 2.897 4.533 -12.081 1.00 3.00 C ATOM 739 OE1 GLU A 47 2.707 4.370 -13.305 1.00 4.43 O ATOM 740 OE2 GLU A 47 3.840 3.969 -11.483 1.00 70.12 O ATOM 0 H GLU A 47 -0.452 6.840 -11.369 1.00 33.11 H new ATOM 0 HA GLU A 47 1.735 7.798 -9.766 1.00 52.11 H new ATOM 0 HB2 GLU A 47 1.645 7.044 -12.712 1.00 55.53 H new ATOM 0 HB3 GLU A 47 3.090 7.221 -11.735 1.00 55.53 H new ATOM 0 HG2 GLU A 47 2.163 5.351 -10.229 1.00 20.20 H new ATOM 0 HG3 GLU A 47 0.920 5.097 -11.439 1.00 20.20 H new ATOM 747 N SER A 48 2.104 10.175 -10.394 1.00 11.24 N ATOM 748 CA SER A 48 2.214 11.649 -10.582 1.00 21.11 C ATOM 749 C SER A 48 3.606 12.159 -10.108 1.00 53.31 C ATOM 750 O SER A 48 4.573 11.387 -10.106 1.00 21.42 O ATOM 751 CB SER A 48 1.062 12.350 -9.806 1.00 53.10 C ATOM 752 OG SER A 48 -0.218 11.966 -10.301 1.00 63.43 O ATOM 0 H SER A 48 2.607 9.837 -9.574 1.00 11.24 H new ATOM 0 HA SER A 48 2.123 11.889 -11.641 1.00 21.11 H new ATOM 0 HB2 SER A 48 1.132 12.101 -8.747 1.00 53.10 H new ATOM 0 HB3 SER A 48 1.174 13.431 -9.887 1.00 53.10 H new ATOM 0 HG SER A 48 -0.917 12.424 -9.790 1.00 63.43 H new ATOM 758 N ASP A 49 3.705 13.467 -9.743 1.00 42.24 N ATOM 759 CA ASP A 49 4.949 14.095 -9.226 1.00 0.35 C ATOM 760 C ASP A 49 5.529 13.343 -7.999 1.00 63.41 C ATOM 761 O ASP A 49 5.016 13.469 -6.881 1.00 3.50 O ATOM 762 CB ASP A 49 4.668 15.574 -8.859 1.00 51.24 C ATOM 763 CG ASP A 49 4.213 16.408 -10.071 1.00 14.30 C ATOM 764 OD1 ASP A 49 3.065 16.223 -10.537 1.00 20.22 O ATOM 765 OD2 ASP A 49 5.002 17.239 -10.577 1.00 54.12 O ATOM 0 H ASP A 49 2.920 14.116 -9.800 1.00 42.24 H new ATOM 0 HA ASP A 49 5.698 14.040 -10.016 1.00 0.35 H new ATOM 0 HB2 ASP A 49 3.900 15.613 -8.087 1.00 51.24 H new ATOM 0 HB3 ASP A 49 5.569 16.017 -8.435 1.00 51.24 H new ATOM 770 N PHE A 50 6.581 12.527 -8.258 1.00 3.54 N ATOM 771 CA PHE A 50 7.292 11.704 -7.238 1.00 31.34 C ATOM 772 C PHE A 50 6.391 10.590 -6.636 1.00 53.30 C ATOM 773 O PHE A 50 6.749 9.959 -5.650 1.00 31.30 O ATOM 774 CB PHE A 50 7.937 12.597 -6.127 1.00 14.31 C ATOM 775 CG PHE A 50 8.973 13.590 -6.665 1.00 64.43 C ATOM 776 CD1 PHE A 50 10.312 13.224 -6.814 1.00 71.33 C ATOM 777 CD2 PHE A 50 8.603 14.884 -7.038 1.00 3.04 C ATOM 778 CE1 PHE A 50 11.240 14.119 -7.320 1.00 24.13 C ATOM 779 CE2 PHE A 50 9.531 15.776 -7.540 1.00 24.41 C ATOM 780 CZ PHE A 50 10.849 15.394 -7.680 1.00 4.14 C ATOM 0 H PHE A 50 6.968 12.418 -9.195 1.00 3.54 H new ATOM 0 HA PHE A 50 8.103 11.193 -7.758 1.00 31.34 H new ATOM 0 HB2 PHE A 50 7.150 13.148 -5.613 1.00 14.31 H new ATOM 0 HB3 PHE A 50 8.412 11.954 -5.386 1.00 14.31 H new ATOM 0 HD1 PHE A 50 10.628 12.231 -6.531 1.00 71.33 H new ATOM 0 HD2 PHE A 50 7.574 15.193 -6.932 1.00 3.04 H new ATOM 0 HE1 PHE A 50 12.271 13.819 -7.433 1.00 24.13 H new ATOM 0 HE2 PHE A 50 9.224 16.772 -7.823 1.00 24.41 H new ATOM 0 HZ PHE A 50 11.575 16.092 -8.071 1.00 4.14 H new ATOM 790 N VAL A 51 5.238 10.331 -7.274 1.00 12.20 N ATOM 791 CA VAL A 51 4.293 9.268 -6.873 1.00 32.20 C ATOM 792 C VAL A 51 4.313 8.138 -7.923 1.00 12.53 C ATOM 793 O VAL A 51 4.047 8.391 -9.102 1.00 71.30 O ATOM 794 CB VAL A 51 2.822 9.823 -6.743 1.00 50.50 C ATOM 795 CG1 VAL A 51 1.843 8.728 -6.248 1.00 30.23 C ATOM 796 CG2 VAL A 51 2.774 11.071 -5.830 1.00 0.20 C ATOM 0 H VAL A 51 4.930 10.857 -8.091 1.00 12.20 H new ATOM 0 HA VAL A 51 4.606 8.889 -5.900 1.00 32.20 H new ATOM 0 HB VAL A 51 2.497 10.126 -7.738 1.00 50.50 H new ATOM 0 HG11 VAL A 51 0.839 9.146 -6.170 1.00 30.23 H new ATOM 0 HG12 VAL A 51 1.837 7.899 -6.955 1.00 30.23 H new ATOM 0 HG13 VAL A 51 2.163 8.369 -5.270 1.00 30.23 H new ATOM 0 HG21 VAL A 51 1.748 11.431 -5.759 1.00 0.20 H new ATOM 0 HG22 VAL A 51 3.136 10.809 -4.836 1.00 0.20 H new ATOM 0 HG23 VAL A 51 3.405 11.854 -6.251 1.00 0.20 H new ATOM 806 N VAL A 52 4.648 6.905 -7.502 1.00 33.24 N ATOM 807 CA VAL A 52 4.645 5.710 -8.386 1.00 41.01 C ATOM 808 C VAL A 52 4.001 4.500 -7.669 1.00 71.02 C ATOM 809 O VAL A 52 4.151 4.327 -6.457 1.00 61.42 O ATOM 810 CB VAL A 52 6.097 5.330 -8.890 1.00 32.43 C ATOM 811 CG1 VAL A 52 6.651 6.392 -9.871 1.00 41.32 C ATOM 812 CG2 VAL A 52 7.072 5.112 -7.705 1.00 11.44 C ATOM 0 H VAL A 52 4.929 6.702 -6.543 1.00 33.24 H new ATOM 0 HA VAL A 52 4.050 5.968 -9.262 1.00 41.01 H new ATOM 0 HB VAL A 52 6.013 4.387 -9.430 1.00 32.43 H new ATOM 0 HG11 VAL A 52 7.649 6.100 -10.197 1.00 41.32 H new ATOM 0 HG12 VAL A 52 5.993 6.466 -10.737 1.00 41.32 H new ATOM 0 HG13 VAL A 52 6.701 7.359 -9.370 1.00 41.32 H new ATOM 0 HG21 VAL A 52 8.059 4.853 -8.089 1.00 11.44 H new ATOM 0 HG22 VAL A 52 7.140 6.027 -7.117 1.00 11.44 H new ATOM 0 HG23 VAL A 52 6.704 4.303 -7.075 1.00 11.44 H new ATOM 822 N LEU A 53 3.269 3.676 -8.433 1.00 30.23 N ATOM 823 CA LEU A 53 2.611 2.456 -7.918 1.00 32.13 C ATOM 824 C LEU A 53 3.324 1.208 -8.482 1.00 61.44 C ATOM 825 O LEU A 53 3.027 0.758 -9.596 1.00 71.13 O ATOM 826 CB LEU A 53 1.101 2.452 -8.301 1.00 62.43 C ATOM 827 CG LEU A 53 0.255 3.666 -7.789 1.00 3.22 C ATOM 828 CD1 LEU A 53 -1.211 3.579 -8.268 1.00 54.23 C ATOM 829 CD2 LEU A 53 0.327 3.789 -6.251 1.00 62.24 C ATOM 0 H LEU A 53 3.113 3.833 -9.429 1.00 30.23 H new ATOM 0 HA LEU A 53 2.682 2.440 -6.830 1.00 32.13 H new ATOM 0 HB2 LEU A 53 1.023 2.414 -9.388 1.00 62.43 H new ATOM 0 HB3 LEU A 53 0.653 1.536 -7.917 1.00 62.43 H new ATOM 0 HG LEU A 53 0.689 4.568 -8.219 1.00 3.22 H new ATOM 0 HD11 LEU A 53 -1.768 4.438 -7.894 1.00 54.23 H new ATOM 0 HD12 LEU A 53 -1.238 3.576 -9.358 1.00 54.23 H new ATOM 0 HD13 LEU A 53 -1.663 2.661 -7.891 1.00 54.23 H new ATOM 0 HD21 LEU A 53 -0.270 4.641 -5.926 1.00 62.24 H new ATOM 0 HD22 LEU A 53 -0.061 2.878 -5.795 1.00 62.24 H new ATOM 0 HD23 LEU A 53 1.363 3.935 -5.946 1.00 62.24 H new ATOM 841 N GLU A 54 4.292 0.676 -7.718 1.00 34.53 N ATOM 842 CA GLU A 54 5.101 -0.498 -8.130 1.00 51.52 C ATOM 843 C GLU A 54 4.544 -1.785 -7.479 1.00 32.01 C ATOM 844 O GLU A 54 4.620 -1.958 -6.265 1.00 70.11 O ATOM 845 CB GLU A 54 6.592 -0.285 -7.749 1.00 34.24 C ATOM 846 CG GLU A 54 7.275 0.920 -8.438 1.00 74.44 C ATOM 847 CD GLU A 54 8.779 1.014 -8.121 1.00 21.24 C ATOM 848 OE1 GLU A 54 9.584 0.314 -8.784 1.00 43.43 O ATOM 849 OE2 GLU A 54 9.165 1.759 -7.193 1.00 45.13 O ATOM 0 H GLU A 54 4.540 1.042 -6.799 1.00 34.53 H new ATOM 0 HA GLU A 54 5.039 -0.608 -9.213 1.00 51.52 H new ATOM 0 HB2 GLU A 54 6.661 -0.154 -6.669 1.00 34.24 H new ATOM 0 HB3 GLU A 54 7.148 -1.189 -7.997 1.00 34.24 H new ATOM 0 HG2 GLU A 54 7.140 0.841 -9.517 1.00 74.44 H new ATOM 0 HG3 GLU A 54 6.783 1.840 -8.122 1.00 74.44 H new ATOM 856 N ASN A 55 3.972 -2.676 -8.306 1.00 35.12 N ATOM 857 CA ASN A 55 3.227 -3.869 -7.842 1.00 35.14 C ATOM 858 C ASN A 55 3.665 -5.103 -8.665 1.00 23.22 C ATOM 859 O ASN A 55 3.616 -5.067 -9.901 1.00 33.42 O ATOM 860 CB ASN A 55 1.695 -3.640 -8.011 1.00 13.15 C ATOM 861 CG ASN A 55 1.199 -2.313 -7.420 1.00 14.44 C ATOM 862 OD1 ASN A 55 0.781 -2.235 -6.277 1.00 42.21 O ATOM 863 ND2 ASN A 55 1.271 -1.252 -8.190 1.00 33.12 N ATOM 0 H ASN A 55 4.011 -2.593 -9.322 1.00 35.12 H new ATOM 0 HA ASN A 55 3.445 -4.040 -6.788 1.00 35.14 H new ATOM 0 HB2 ASN A 55 1.447 -3.670 -9.072 1.00 13.15 H new ATOM 0 HB3 ASN A 55 1.159 -4.462 -7.536 1.00 13.15 H new ATOM 0 HD21 ASN A 55 0.975 -0.343 -7.835 1.00 33.12 H new ATOM 0 HD22 ASN A 55 1.623 -1.337 -9.143 1.00 33.12 H new ATOM 870 N GLU A 56 4.091 -6.191 -7.991 1.00 75.51 N ATOM 871 CA GLU A 56 4.497 -7.451 -8.667 1.00 21.33 C ATOM 872 C GLU A 56 4.006 -8.703 -7.886 1.00 44.43 C ATOM 873 O GLU A 56 4.172 -8.795 -6.665 1.00 43.10 O ATOM 874 CB GLU A 56 6.045 -7.464 -8.953 1.00 54.23 C ATOM 875 CG GLU A 56 6.958 -6.749 -7.911 1.00 5.31 C ATOM 876 CD GLU A 56 7.029 -7.422 -6.529 1.00 12.54 C ATOM 877 OE1 GLU A 56 7.719 -8.462 -6.396 1.00 13.14 O ATOM 878 OE2 GLU A 56 6.423 -6.907 -5.565 1.00 42.13 O ATOM 0 H GLU A 56 4.165 -6.227 -6.974 1.00 75.51 H new ATOM 0 HA GLU A 56 4.003 -7.494 -9.638 1.00 21.33 H new ATOM 0 HB2 GLU A 56 6.367 -8.502 -9.031 1.00 54.23 H new ATOM 0 HB3 GLU A 56 6.215 -7.003 -9.926 1.00 54.23 H new ATOM 0 HG2 GLU A 56 7.967 -6.686 -8.319 1.00 5.31 H new ATOM 0 HG3 GLU A 56 6.602 -5.727 -7.781 1.00 5.31 H new ATOM 885 N GLY A 57 3.390 -9.660 -8.617 1.00 12.03 N ATOM 886 CA GLY A 57 2.774 -10.853 -8.009 1.00 73.24 C ATOM 887 C GLY A 57 1.573 -10.519 -7.106 1.00 42.12 C ATOM 888 O GLY A 57 0.739 -9.679 -7.476 1.00 71.44 O ATOM 0 H GLY A 57 3.308 -9.625 -9.633 1.00 12.03 H new ATOM 0 HA2 GLY A 57 2.449 -11.530 -8.799 1.00 73.24 H new ATOM 0 HA3 GLY A 57 3.525 -11.384 -7.423 1.00 73.24 H new ATOM 892 N PRO A 58 1.436 -11.178 -5.908 1.00 62.04 N ATOM 893 CA PRO A 58 0.451 -10.768 -4.873 1.00 10.43 C ATOM 894 C PRO A 58 0.896 -9.498 -4.099 1.00 44.04 C ATOM 895 O PRO A 58 0.084 -8.858 -3.418 1.00 43.43 O ATOM 896 CB PRO A 58 0.367 -12.008 -3.927 1.00 14.21 C ATOM 897 CG PRO A 58 1.176 -13.090 -4.595 1.00 4.41 C ATOM 898 CD PRO A 58 2.178 -12.386 -5.481 1.00 53.53 C ATOM 0 HA PRO A 58 -0.510 -10.498 -5.311 1.00 10.43 H new ATOM 0 HB2 PRO A 58 0.766 -11.774 -2.940 1.00 14.21 H new ATOM 0 HB3 PRO A 58 -0.667 -12.323 -3.786 1.00 14.21 H new ATOM 0 HG2 PRO A 58 1.681 -13.711 -3.855 1.00 4.41 H new ATOM 0 HG3 PRO A 58 0.535 -13.749 -5.181 1.00 4.41 H new ATOM 0 HD2 PRO A 58 3.090 -12.132 -4.940 1.00 53.53 H new ATOM 0 HD3 PRO A 58 2.472 -13.003 -6.330 1.00 53.53 H new ATOM 906 N HIS A 59 2.193 -9.144 -4.219 1.00 11.33 N ATOM 907 CA HIS A 59 2.805 -8.032 -3.463 1.00 13.45 C ATOM 908 C HIS A 59 2.516 -6.679 -4.156 1.00 13.44 C ATOM 909 O HIS A 59 3.146 -6.332 -5.157 1.00 70.42 O ATOM 910 CB HIS A 59 4.337 -8.244 -3.324 1.00 70.01 C ATOM 911 CG HIS A 59 4.750 -9.562 -2.723 1.00 22.41 C ATOM 912 ND1 HIS A 59 5.242 -9.692 -1.445 1.00 3.22 N ATOM 913 CD2 HIS A 59 4.769 -10.810 -3.247 1.00 51.11 C ATOM 914 CE1 HIS A 59 5.542 -10.948 -1.209 1.00 33.23 C ATOM 915 NE2 HIS A 59 5.265 -11.648 -2.284 1.00 63.30 N ATOM 0 H HIS A 59 2.844 -9.621 -4.842 1.00 11.33 H new ATOM 0 HA HIS A 59 2.363 -8.015 -2.467 1.00 13.45 H new ATOM 0 HB2 HIS A 59 4.791 -8.155 -4.311 1.00 70.01 H new ATOM 0 HB3 HIS A 59 4.745 -7.440 -2.712 1.00 70.01 H new ATOM 0 HD1 HIS A 59 5.357 -8.927 -0.780 1.00 3.22 H new ATOM 0 HD2 HIS A 59 4.452 -11.092 -4.240 1.00 51.11 H new ATOM 0 HE1 HIS A 59 5.948 -11.339 -0.287 1.00 33.23 H new ATOM 924 N ARG A 60 1.527 -5.949 -3.635 1.00 11.10 N ATOM 925 CA ARG A 60 1.171 -4.599 -4.119 1.00 73.24 C ATOM 926 C ARG A 60 1.802 -3.552 -3.167 1.00 43.15 C ATOM 927 O ARG A 60 1.909 -3.817 -1.965 1.00 64.21 O ATOM 928 CB ARG A 60 -0.378 -4.441 -4.138 1.00 72.13 C ATOM 929 CG ARG A 60 -1.159 -5.616 -4.778 1.00 64.05 C ATOM 930 CD ARG A 60 -0.894 -5.787 -6.281 1.00 72.10 C ATOM 931 NE ARG A 60 -1.736 -6.845 -6.874 1.00 74.01 N ATOM 932 CZ ARG A 60 -1.806 -7.130 -8.156 1.00 61.43 C ATOM 933 NH1 ARG A 60 -1.096 -6.486 -9.032 1.00 22.51 N ATOM 934 NH2 ARG A 60 -2.601 -8.062 -8.558 1.00 61.33 N ATOM 0 H ARG A 60 0.944 -6.272 -2.863 1.00 11.10 H new ATOM 0 HA ARG A 60 1.548 -4.451 -5.131 1.00 73.24 H new ATOM 0 HB2 ARG A 60 -0.725 -4.312 -3.113 1.00 72.13 H new ATOM 0 HB3 ARG A 60 -0.626 -3.526 -4.676 1.00 72.13 H new ATOM 0 HG2 ARG A 60 -0.894 -6.540 -4.264 1.00 64.05 H new ATOM 0 HG3 ARG A 60 -2.226 -5.459 -4.622 1.00 64.05 H new ATOM 0 HD2 ARG A 60 -1.084 -4.843 -6.792 1.00 72.10 H new ATOM 0 HD3 ARG A 60 0.157 -6.029 -6.439 1.00 72.10 H new ATOM 0 HE ARG A 60 -2.309 -7.399 -6.238 1.00 74.01 H new ATOM 0 HH11 ARG A 60 -0.467 -5.741 -8.731 1.00 22.51 H new ATOM 0 HH12 ARG A 60 -1.167 -6.725 -10.021 1.00 22.51 H new ATOM 0 HH21 ARG A 60 -3.170 -8.573 -7.883 1.00 61.33 H new ATOM 0 HH22 ARG A 60 -2.661 -8.288 -9.551 1.00 61.33 H new ATOM 948 N ARG A 61 2.267 -2.395 -3.694 1.00 32.03 N ATOM 949 CA ARG A 61 2.789 -1.296 -2.835 1.00 24.24 C ATOM 950 C ARG A 61 2.850 0.082 -3.537 1.00 70.43 C ATOM 951 O ARG A 61 3.141 0.194 -4.731 1.00 31.21 O ATOM 952 CB ARG A 61 4.163 -1.680 -2.196 1.00 32.14 C ATOM 953 CG ARG A 61 5.212 -2.276 -3.168 1.00 21.04 C ATOM 954 CD ARG A 61 6.229 -3.177 -2.440 1.00 72.24 C ATOM 955 NE ARG A 61 5.558 -4.268 -1.695 1.00 70.25 N ATOM 956 CZ ARG A 61 6.153 -5.315 -1.166 1.00 20.31 C ATOM 957 NH1 ARG A 61 7.421 -5.533 -1.339 1.00 3.53 N ATOM 958 NH2 ARG A 61 5.458 -6.160 -0.475 1.00 52.20 N ATOM 0 H ARG A 61 2.293 -2.196 -4.694 1.00 32.03 H new ATOM 0 HA ARG A 61 2.058 -1.176 -2.035 1.00 24.24 H new ATOM 0 HB2 ARG A 61 4.589 -0.790 -1.732 1.00 32.14 H new ATOM 0 HB3 ARG A 61 3.983 -2.400 -1.398 1.00 32.14 H new ATOM 0 HG2 ARG A 61 4.704 -2.854 -3.940 1.00 21.04 H new ATOM 0 HG3 ARG A 61 5.740 -1.467 -3.672 1.00 21.04 H new ATOM 0 HD2 ARG A 61 6.922 -3.604 -3.165 1.00 72.24 H new ATOM 0 HD3 ARG A 61 6.820 -2.575 -1.750 1.00 72.24 H new ATOM 0 HE ARG A 61 4.546 -4.201 -1.583 1.00 70.25 H new ATOM 0 HH11 ARG A 61 7.979 -4.885 -1.895 1.00 3.53 H new ATOM 0 HH12 ARG A 61 7.860 -6.352 -0.918 1.00 3.53 H new ATOM 0 HH21 ARG A 61 4.457 -6.011 -0.344 1.00 52.20 H new ATOM 0 HH22 ARG A 61 5.911 -6.975 -0.061 1.00 52.20 H new ATOM 972 N LEU A 62 2.551 1.123 -2.739 1.00 61.41 N ATOM 973 CA LEU A 62 2.650 2.542 -3.126 1.00 14.31 C ATOM 974 C LEU A 62 4.035 3.075 -2.708 1.00 70.13 C ATOM 975 O LEU A 62 4.385 3.041 -1.527 1.00 74.32 O ATOM 976 CB LEU A 62 1.490 3.331 -2.439 1.00 40.41 C ATOM 977 CG LEU A 62 1.271 4.841 -2.842 1.00 11.44 C ATOM 978 CD1 LEU A 62 -0.194 5.260 -2.584 1.00 43.53 C ATOM 979 CD2 LEU A 62 2.230 5.806 -2.098 1.00 75.44 C ATOM 0 H LEU A 62 2.225 0.997 -1.781 1.00 61.41 H new ATOM 0 HA LEU A 62 2.552 2.666 -4.204 1.00 14.31 H new ATOM 0 HB2 LEU A 62 0.561 2.796 -2.637 1.00 40.41 H new ATOM 0 HB3 LEU A 62 1.655 3.295 -1.362 1.00 40.41 H new ATOM 0 HG LEU A 62 1.496 4.916 -3.906 1.00 11.44 H new ATOM 0 HD11 LEU A 62 -0.329 6.304 -2.867 1.00 43.53 H new ATOM 0 HD12 LEU A 62 -0.861 4.634 -3.177 1.00 43.53 H new ATOM 0 HD13 LEU A 62 -0.426 5.138 -1.526 1.00 43.53 H new ATOM 0 HD21 LEU A 62 2.034 6.830 -2.415 1.00 75.44 H new ATOM 0 HD22 LEU A 62 2.069 5.722 -1.023 1.00 75.44 H new ATOM 0 HD23 LEU A 62 3.262 5.545 -2.332 1.00 75.44 H new ATOM 991 N VAL A 63 4.821 3.559 -3.676 1.00 3.41 N ATOM 992 CA VAL A 63 6.192 4.055 -3.426 1.00 70.41 C ATOM 993 C VAL A 63 6.250 5.599 -3.565 1.00 0.54 C ATOM 994 O VAL A 63 5.722 6.177 -4.529 1.00 42.40 O ATOM 995 CB VAL A 63 7.221 3.379 -4.408 1.00 73.31 C ATOM 996 CG1 VAL A 63 8.688 3.729 -4.045 1.00 50.02 C ATOM 997 CG2 VAL A 63 7.008 1.843 -4.462 1.00 23.44 C ATOM 0 H VAL A 63 4.533 3.621 -4.652 1.00 3.41 H new ATOM 0 HA VAL A 63 6.465 3.788 -2.405 1.00 70.41 H new ATOM 0 HB VAL A 63 7.034 3.784 -5.402 1.00 73.31 H new ATOM 0 HG11 VAL A 63 9.363 3.241 -4.748 1.00 50.02 H new ATOM 0 HG12 VAL A 63 8.828 4.809 -4.097 1.00 50.02 H new ATOM 0 HG13 VAL A 63 8.905 3.383 -3.034 1.00 50.02 H new ATOM 0 HG21 VAL A 63 7.731 1.399 -5.147 1.00 23.44 H new ATOM 0 HG22 VAL A 63 7.145 1.421 -3.466 1.00 23.44 H new ATOM 0 HG23 VAL A 63 5.998 1.628 -4.811 1.00 23.44 H new ATOM 1007 N LEU A 64 6.906 6.253 -2.592 1.00 12.15 N ATOM 1008 CA LEU A 64 7.054 7.721 -2.539 1.00 14.32 C ATOM 1009 C LEU A 64 8.536 8.073 -2.206 1.00 74.44 C ATOM 1010 O LEU A 64 8.892 8.134 -1.031 1.00 53.24 O ATOM 1011 CB LEU A 64 6.054 8.341 -1.482 1.00 54.40 C ATOM 1012 CG LEU A 64 5.151 9.522 -1.977 1.00 24.03 C ATOM 1013 CD1 LEU A 64 5.980 10.643 -2.630 1.00 4.21 C ATOM 1014 CD2 LEU A 64 4.035 9.022 -2.915 1.00 54.11 C ATOM 0 H LEU A 64 7.354 5.774 -1.811 1.00 12.15 H new ATOM 0 HA LEU A 64 6.804 8.152 -3.508 1.00 14.32 H new ATOM 0 HB2 LEU A 64 5.404 7.544 -1.120 1.00 54.40 H new ATOM 0 HB3 LEU A 64 6.635 8.691 -0.629 1.00 54.40 H new ATOM 0 HG LEU A 64 4.672 9.952 -1.097 1.00 24.03 H new ATOM 0 HD11 LEU A 64 5.316 11.442 -2.959 1.00 4.21 H new ATOM 0 HD12 LEU A 64 6.692 11.038 -1.905 1.00 4.21 H new ATOM 0 HD13 LEU A 64 6.520 10.243 -3.488 1.00 4.21 H new ATOM 0 HD21 LEU A 64 3.427 9.866 -3.240 1.00 54.11 H new ATOM 0 HD22 LEU A 64 4.480 8.539 -3.785 1.00 54.11 H new ATOM 0 HD23 LEU A 64 3.407 8.306 -2.384 1.00 54.11 H new ATOM 1026 N PRO A 65 9.423 8.270 -3.246 1.00 44.24 N ATOM 1027 CA PRO A 65 10.874 8.612 -3.054 1.00 32.23 C ATOM 1028 C PRO A 65 11.125 9.851 -2.144 1.00 41.10 C ATOM 1029 O PRO A 65 12.131 9.909 -1.425 1.00 61.41 O ATOM 1030 CB PRO A 65 11.371 8.858 -4.515 1.00 12.21 C ATOM 1031 CG PRO A 65 10.119 9.064 -5.318 1.00 45.14 C ATOM 1032 CD PRO A 65 9.104 8.146 -4.692 1.00 44.30 C ATOM 0 HA PRO A 65 11.406 7.818 -2.530 1.00 32.23 H new ATOM 0 HB2 PRO A 65 12.023 9.730 -4.569 1.00 12.21 H new ATOM 0 HB3 PRO A 65 11.943 8.008 -4.886 1.00 12.21 H new ATOM 0 HG2 PRO A 65 9.790 10.103 -5.278 1.00 45.14 H new ATOM 0 HG3 PRO A 65 10.278 8.820 -6.368 1.00 45.14 H new ATOM 0 HD2 PRO A 65 8.083 8.457 -4.912 1.00 44.30 H new ATOM 0 HD3 PRO A 65 9.209 7.120 -5.046 1.00 44.30 H new ATOM 1040 N ALA A 66 10.209 10.831 -2.197 1.00 33.23 N ATOM 1041 CA ALA A 66 10.227 12.019 -1.315 1.00 62.32 C ATOM 1042 C ALA A 66 8.782 12.400 -0.942 1.00 11.33 C ATOM 1043 O ALA A 66 8.081 13.037 -1.737 1.00 72.21 O ATOM 1044 CB ALA A 66 10.953 13.192 -1.998 1.00 63.12 C ATOM 0 H ALA A 66 9.429 10.826 -2.855 1.00 33.23 H new ATOM 0 HA ALA A 66 10.775 11.783 -0.403 1.00 62.32 H new ATOM 0 HB1 ALA A 66 10.955 14.055 -1.333 1.00 63.12 H new ATOM 0 HB2 ALA A 66 11.980 12.904 -2.221 1.00 63.12 H new ATOM 0 HB3 ALA A 66 10.439 13.449 -2.924 1.00 63.12 H new ATOM 1050 N THR A 67 8.329 11.969 0.249 1.00 3.33 N ATOM 1051 CA THR A 67 6.919 12.132 0.674 1.00 74.51 C ATOM 1052 C THR A 67 6.613 13.598 1.077 1.00 65.13 C ATOM 1053 O THR A 67 6.818 14.005 2.225 1.00 63.23 O ATOM 1054 CB THR A 67 6.547 11.146 1.835 1.00 71.22 C ATOM 1055 OG1 THR A 67 7.007 9.820 1.512 1.00 43.34 O ATOM 1056 CG2 THR A 67 5.023 11.093 2.088 1.00 52.31 C ATOM 0 H THR A 67 8.918 11.503 0.939 1.00 3.33 H new ATOM 0 HA THR A 67 6.296 11.883 -0.185 1.00 74.51 H new ATOM 0 HB THR A 67 7.032 11.514 2.739 1.00 71.22 H new ATOM 0 HG1 THR A 67 7.973 9.762 1.668 1.00 43.34 H new ATOM 0 HG21 THR A 67 4.813 10.397 2.900 1.00 52.31 H new ATOM 0 HG22 THR A 67 4.664 12.086 2.359 1.00 52.31 H new ATOM 0 HG23 THR A 67 4.515 10.758 1.183 1.00 52.31 H new ATOM 1064 N GLN A 68 6.151 14.380 0.080 1.00 72.22 N ATOM 1065 CA GLN A 68 5.788 15.812 0.235 1.00 44.14 C ATOM 1066 C GLN A 68 4.627 16.001 1.261 1.00 4.12 C ATOM 1067 O GLN A 68 3.773 15.118 1.363 1.00 21.10 O ATOM 1068 CB GLN A 68 5.410 16.370 -1.177 1.00 43.31 C ATOM 1069 CG GLN A 68 4.865 17.813 -1.213 1.00 14.12 C ATOM 1070 CD GLN A 68 4.769 18.412 -2.624 1.00 35.40 C ATOM 1071 OE1 GLN A 68 5.706 19.039 -3.106 1.00 51.04 O ATOM 1072 NE2 GLN A 68 3.657 18.208 -3.300 1.00 33.44 N ATOM 0 H GLN A 68 6.016 14.034 -0.870 1.00 72.22 H new ATOM 0 HA GLN A 68 6.636 16.368 0.635 1.00 44.14 H new ATOM 0 HB2 GLN A 68 6.294 16.321 -1.813 1.00 43.31 H new ATOM 0 HB3 GLN A 68 4.663 15.710 -1.618 1.00 43.31 H new ATOM 0 HG2 GLN A 68 3.876 17.828 -0.756 1.00 14.12 H new ATOM 0 HG3 GLN A 68 5.508 18.448 -0.603 1.00 14.12 H new ATOM 0 HE21 GLN A 68 2.892 17.683 -2.877 1.00 33.44 H new ATOM 0 HE22 GLN A 68 3.561 18.575 -4.247 1.00 33.44 H new ATOM 1081 N PRO A 69 4.609 17.131 2.070 1.00 5.20 N ATOM 1082 CA PRO A 69 3.473 17.475 2.975 1.00 34.12 C ATOM 1083 C PRO A 69 2.071 17.278 2.338 1.00 53.32 C ATOM 1084 O PRO A 69 1.174 16.677 2.943 1.00 41.11 O ATOM 1085 CB PRO A 69 3.726 18.962 3.304 1.00 75.45 C ATOM 1086 CG PRO A 69 5.214 19.117 3.248 1.00 34.33 C ATOM 1087 CD PRO A 69 5.722 18.114 2.222 1.00 61.30 C ATOM 0 HA PRO A 69 3.449 16.819 3.845 1.00 34.12 H new ATOM 0 HB2 PRO A 69 3.233 19.616 2.585 1.00 75.45 H new ATOM 0 HB3 PRO A 69 3.338 19.221 4.289 1.00 75.45 H new ATOM 0 HG2 PRO A 69 5.486 20.133 2.963 1.00 34.33 H new ATOM 0 HG3 PRO A 69 5.659 18.930 4.225 1.00 34.33 H new ATOM 0 HD2 PRO A 69 5.953 18.600 1.274 1.00 61.30 H new ATOM 0 HD3 PRO A 69 6.636 17.628 2.562 1.00 61.30 H new ATOM 1095 N SER A 70 1.915 17.767 1.098 1.00 52.10 N ATOM 1096 CA SER A 70 0.665 17.619 0.314 1.00 4.11 C ATOM 1097 C SER A 70 0.403 16.153 -0.119 1.00 34.32 C ATOM 1098 O SER A 70 -0.750 15.748 -0.262 1.00 34.31 O ATOM 1099 CB SER A 70 0.715 18.545 -0.922 1.00 44.23 C ATOM 1100 OG SER A 70 0.662 19.912 -0.540 1.00 62.12 O ATOM 0 H SER A 70 2.648 18.277 0.605 1.00 52.10 H new ATOM 0 HA SER A 70 -0.164 17.908 0.960 1.00 4.11 H new ATOM 0 HB2 SER A 70 1.630 18.357 -1.484 1.00 44.23 H new ATOM 0 HB3 SER A 70 -0.120 18.317 -1.585 1.00 44.23 H new ATOM 0 HG SER A 70 0.697 20.477 -1.340 1.00 62.12 H new ATOM 1106 N ASP A 71 1.478 15.366 -0.324 1.00 71.44 N ATOM 1107 CA ASP A 71 1.379 13.924 -0.698 1.00 54.51 C ATOM 1108 C ASP A 71 1.397 12.987 0.538 1.00 42.21 C ATOM 1109 O ASP A 71 1.495 11.767 0.400 1.00 25.31 O ATOM 1110 CB ASP A 71 2.514 13.567 -1.687 1.00 3.04 C ATOM 1111 CG ASP A 71 2.357 14.315 -3.022 1.00 65.12 C ATOM 1112 OD1 ASP A 71 2.802 15.473 -3.123 1.00 33.31 O ATOM 1113 OD2 ASP A 71 1.736 13.767 -3.957 1.00 54.52 O ATOM 0 H ASP A 71 2.438 15.701 -0.238 1.00 71.44 H new ATOM 0 HA ASP A 71 0.415 13.768 -1.183 1.00 54.51 H new ATOM 0 HB2 ASP A 71 3.477 13.815 -1.241 1.00 3.04 H new ATOM 0 HB3 ASP A 71 2.514 12.492 -1.869 1.00 3.04 H new ATOM 1118 N GLY A 72 1.294 13.567 1.743 1.00 33.51 N ATOM 1119 CA GLY A 72 1.083 12.791 2.978 1.00 31.42 C ATOM 1120 C GLY A 72 -0.353 12.895 3.505 1.00 52.43 C ATOM 1121 O GLY A 72 -1.262 13.335 2.788 1.00 45.24 O ATOM 0 H GLY A 72 1.353 14.575 1.890 1.00 33.51 H new ATOM 0 HA2 GLY A 72 1.321 11.744 2.789 1.00 31.42 H new ATOM 0 HA3 GLY A 72 1.773 13.142 3.745 1.00 31.42 H new ATOM 1125 N GLY A 73 -0.558 12.474 4.765 1.00 44.35 N ATOM 1126 CA GLY A 73 -1.865 12.593 5.439 1.00 41.11 C ATOM 1127 C GLY A 73 -2.657 11.280 5.477 1.00 42.03 C ATOM 1128 O GLY A 73 -2.631 10.568 6.482 1.00 11.31 O ATOM 0 H GLY A 73 0.168 12.046 5.340 1.00 44.35 H new ATOM 0 HA2 GLY A 73 -1.708 12.943 6.459 1.00 41.11 H new ATOM 0 HA3 GLY A 73 -2.459 13.352 4.930 1.00 41.11 H new ATOM 1132 N GLU A 74 -3.344 10.948 4.365 1.00 54.22 N ATOM 1133 CA GLU A 74 -4.288 9.794 4.300 1.00 2.44 C ATOM 1134 C GLU A 74 -4.075 8.923 3.034 1.00 11.14 C ATOM 1135 O GLU A 74 -3.834 9.449 1.943 1.00 13.11 O ATOM 1136 CB GLU A 74 -5.756 10.313 4.331 1.00 30.23 C ATOM 1137 CG GLU A 74 -6.106 11.332 3.214 1.00 51.14 C ATOM 1138 CD GLU A 74 -7.611 11.624 3.105 1.00 41.54 C ATOM 1139 OE1 GLU A 74 -8.330 10.805 2.491 1.00 51.11 O ATOM 1140 OE2 GLU A 74 -8.088 12.658 3.626 1.00 60.24 O ATOM 0 H GLU A 74 -3.267 11.463 3.488 1.00 54.22 H new ATOM 0 HA GLU A 74 -4.089 9.165 5.168 1.00 2.44 H new ATOM 0 HB2 GLU A 74 -6.430 9.460 4.251 1.00 30.23 H new ATOM 0 HB3 GLU A 74 -5.943 10.777 5.299 1.00 30.23 H new ATOM 0 HG2 GLU A 74 -5.575 12.265 3.404 1.00 51.14 H new ATOM 0 HG3 GLU A 74 -5.747 10.950 2.258 1.00 51.14 H new ATOM 1147 N PHE A 75 -4.142 7.584 3.208 1.00 70.50 N ATOM 1148 CA PHE A 75 -4.129 6.592 2.098 1.00 74.54 C ATOM 1149 C PHE A 75 -5.068 5.403 2.435 1.00 54.43 C ATOM 1150 O PHE A 75 -5.125 4.959 3.583 1.00 40.45 O ATOM 1151 CB PHE A 75 -2.692 6.075 1.809 1.00 75.23 C ATOM 1152 CG PHE A 75 -1.740 7.126 1.231 1.00 64.12 C ATOM 1153 CD1 PHE A 75 -1.735 7.404 -0.135 1.00 21.44 C ATOM 1154 CD2 PHE A 75 -0.849 7.827 2.047 1.00 31.33 C ATOM 1155 CE1 PHE A 75 -0.873 8.344 -0.666 1.00 54.42 C ATOM 1156 CE2 PHE A 75 0.010 8.769 1.512 1.00 44.21 C ATOM 1157 CZ PHE A 75 -0.001 9.023 0.155 1.00 34.43 C ATOM 0 H PHE A 75 -4.207 7.153 4.130 1.00 70.50 H new ATOM 0 HA PHE A 75 -4.489 7.092 1.199 1.00 74.54 H new ATOM 0 HB2 PHE A 75 -2.266 5.688 2.735 1.00 75.23 H new ATOM 0 HB3 PHE A 75 -2.754 5.238 1.113 1.00 75.23 H new ATOM 0 HD1 PHE A 75 -2.415 6.877 -0.788 1.00 21.44 H new ATOM 0 HD2 PHE A 75 -0.831 7.631 3.109 1.00 31.33 H new ATOM 0 HE1 PHE A 75 -0.883 8.547 -1.727 1.00 54.42 H new ATOM 0 HE2 PHE A 75 0.690 9.307 2.156 1.00 44.21 H new ATOM 0 HZ PHE A 75 0.675 9.755 -0.263 1.00 34.43 H new ATOM 1167 N GLN A 76 -5.791 4.892 1.419 1.00 53.02 N ATOM 1168 CA GLN A 76 -6.801 3.813 1.597 1.00 20.13 C ATOM 1169 C GLN A 76 -6.747 2.844 0.385 1.00 54.41 C ATOM 1170 O GLN A 76 -6.915 3.272 -0.746 1.00 3.44 O ATOM 1171 CB GLN A 76 -8.201 4.489 1.771 1.00 1.13 C ATOM 1172 CG GLN A 76 -9.351 3.597 2.301 1.00 2.44 C ATOM 1173 CD GLN A 76 -9.971 2.674 1.252 1.00 53.24 C ATOM 1174 OE1 GLN A 76 -9.555 1.534 1.087 1.00 62.52 O ATOM 1175 NE2 GLN A 76 -10.945 3.176 0.517 1.00 23.42 N ATOM 0 H GLN A 76 -5.697 5.209 0.454 1.00 53.02 H new ATOM 0 HA GLN A 76 -6.597 3.214 2.484 1.00 20.13 H new ATOM 0 HB2 GLN A 76 -8.087 5.334 2.450 1.00 1.13 H new ATOM 0 HB3 GLN A 76 -8.504 4.894 0.806 1.00 1.13 H new ATOM 0 HG2 GLN A 76 -8.973 2.990 3.124 1.00 2.44 H new ATOM 0 HG3 GLN A 76 -10.132 4.238 2.710 1.00 2.44 H new ATOM 0 HE21 GLN A 76 -11.268 4.130 0.681 1.00 23.42 H new ATOM 0 HE22 GLN A 76 -11.375 2.610 -0.215 1.00 23.42 H new ATOM 1184 N CYS A 77 -6.547 1.533 0.635 1.00 73.11 N ATOM 1185 CA CYS A 77 -6.234 0.540 -0.433 1.00 43.10 C ATOM 1186 C CYS A 77 -7.279 -0.606 -0.518 1.00 3.42 C ATOM 1187 O CYS A 77 -7.200 -1.590 0.219 1.00 63.32 O ATOM 1188 CB CYS A 77 -4.821 -0.038 -0.181 1.00 64.02 C ATOM 1189 SG CYS A 77 -4.279 -1.262 -1.394 1.00 44.15 S ATOM 0 H CYS A 77 -6.596 1.129 1.570 1.00 73.11 H new ATOM 0 HA CYS A 77 -6.270 1.058 -1.391 1.00 43.10 H new ATOM 0 HB2 CYS A 77 -4.104 0.783 -0.168 1.00 64.02 H new ATOM 0 HB3 CYS A 77 -4.801 -0.494 0.809 1.00 64.02 H new ATOM 0 HG CYS A 77 -3.163 -1.799 -1.000 1.00 44.15 H new ATOM 1195 N VAL A 78 -8.249 -0.484 -1.446 1.00 73.34 N ATOM 1196 CA VAL A 78 -9.293 -1.517 -1.683 1.00 22.04 C ATOM 1197 C VAL A 78 -8.793 -2.617 -2.652 1.00 71.21 C ATOM 1198 O VAL A 78 -8.548 -2.344 -3.824 1.00 5.22 O ATOM 1199 CB VAL A 78 -10.611 -0.876 -2.278 1.00 22.52 C ATOM 1200 CG1 VAL A 78 -11.698 -1.948 -2.568 1.00 5.42 C ATOM 1201 CG2 VAL A 78 -11.166 0.219 -1.346 1.00 41.51 C ATOM 0 H VAL A 78 -8.336 0.330 -2.055 1.00 73.34 H new ATOM 0 HA VAL A 78 -9.513 -1.965 -0.714 1.00 22.04 H new ATOM 0 HB VAL A 78 -10.340 -0.416 -3.228 1.00 22.52 H new ATOM 0 HG11 VAL A 78 -12.586 -1.465 -2.975 1.00 5.42 H new ATOM 0 HG12 VAL A 78 -11.314 -2.669 -3.289 1.00 5.42 H new ATOM 0 HG13 VAL A 78 -11.957 -2.463 -1.643 1.00 5.42 H new ATOM 0 HG21 VAL A 78 -12.072 0.642 -1.780 1.00 41.51 H new ATOM 0 HG22 VAL A 78 -11.398 -0.215 -0.373 1.00 41.51 H new ATOM 0 HG23 VAL A 78 -10.421 1.005 -1.224 1.00 41.51 H new ATOM 1211 N ALA A 79 -8.655 -3.858 -2.160 1.00 20.31 N ATOM 1212 CA ALA A 79 -8.402 -5.036 -3.030 1.00 31.33 C ATOM 1213 C ALA A 79 -9.702 -5.481 -3.743 1.00 53.31 C ATOM 1214 O ALA A 79 -9.682 -5.938 -4.894 1.00 1.12 O ATOM 1215 CB ALA A 79 -7.818 -6.189 -2.206 1.00 2.33 C ATOM 0 H ALA A 79 -8.713 -4.080 -1.166 1.00 20.31 H new ATOM 0 HA ALA A 79 -7.677 -4.751 -3.793 1.00 31.33 H new ATOM 0 HB1 ALA A 79 -7.637 -7.045 -2.856 1.00 2.33 H new ATOM 0 HB2 ALA A 79 -6.878 -5.873 -1.753 1.00 2.33 H new ATOM 0 HB3 ALA A 79 -8.522 -6.470 -1.423 1.00 2.33 H new ATOM 1221 N GLY A 80 -10.828 -5.330 -3.028 1.00 14.13 N ATOM 1222 CA GLY A 80 -12.162 -5.669 -3.538 1.00 11.54 C ATOM 1223 C GLY A 80 -13.157 -5.884 -2.397 1.00 63.32 C ATOM 1224 O GLY A 80 -14.113 -5.109 -2.231 1.00 2.04 O ATOM 0 H GLY A 80 -10.836 -4.967 -2.075 1.00 14.13 H new ATOM 0 HA2 GLY A 80 -12.519 -4.870 -4.188 1.00 11.54 H new ATOM 0 HA3 GLY A 80 -12.102 -6.572 -4.146 1.00 11.54 H new ATOM 1228 N ASP A 81 -12.927 -6.943 -1.605 1.00 13.42 N ATOM 1229 CA ASP A 81 -13.686 -7.207 -0.364 1.00 23.33 C ATOM 1230 C ASP A 81 -13.174 -6.327 0.796 1.00 2.32 C ATOM 1231 O ASP A 81 -13.936 -5.556 1.394 1.00 21.01 O ATOM 1232 CB ASP A 81 -13.575 -8.697 0.023 1.00 34.34 C ATOM 1233 CG ASP A 81 -14.329 -9.608 -0.947 1.00 30.14 C ATOM 1234 OD1 ASP A 81 -13.876 -9.775 -2.102 1.00 54.42 O ATOM 1235 OD2 ASP A 81 -15.396 -10.139 -0.565 1.00 4.44 O ATOM 0 H ASP A 81 -12.211 -7.642 -1.803 1.00 13.42 H new ATOM 0 HA ASP A 81 -14.731 -6.960 -0.550 1.00 23.33 H new ATOM 0 HB2 ASP A 81 -12.524 -8.986 0.047 1.00 34.34 H new ATOM 0 HB3 ASP A 81 -13.968 -8.838 1.030 1.00 34.34 H new ATOM 1240 N GLU A 82 -11.875 -6.466 1.112 1.00 54.02 N ATOM 1241 CA GLU A 82 -11.236 -5.765 2.251 1.00 23.33 C ATOM 1242 C GLU A 82 -10.425 -4.530 1.785 1.00 3.44 C ATOM 1243 O GLU A 82 -10.123 -4.370 0.593 1.00 30.00 O ATOM 1244 CB GLU A 82 -10.348 -6.759 3.057 1.00 55.23 C ATOM 1245 CG GLU A 82 -11.116 -7.993 3.580 1.00 44.20 C ATOM 1246 CD GLU A 82 -10.293 -8.892 4.521 1.00 2.54 C ATOM 1247 OE1 GLU A 82 -9.295 -9.482 4.062 1.00 5.33 O ATOM 1248 OE2 GLU A 82 -10.651 -9.022 5.720 1.00 14.12 O ATOM 0 H GLU A 82 -11.236 -7.065 0.590 1.00 54.02 H new ATOM 0 HA GLU A 82 -12.023 -5.392 2.906 1.00 23.33 H new ATOM 0 HB2 GLU A 82 -9.527 -7.095 2.424 1.00 55.23 H new ATOM 0 HB3 GLU A 82 -9.904 -6.233 3.902 1.00 55.23 H new ATOM 0 HG2 GLU A 82 -12.009 -7.656 4.106 1.00 44.20 H new ATOM 0 HG3 GLU A 82 -11.452 -8.586 2.729 1.00 44.20 H new ATOM 1255 N CYS A 83 -10.071 -3.669 2.757 1.00 3.51 N ATOM 1256 CA CYS A 83 -9.394 -2.376 2.509 1.00 51.11 C ATOM 1257 C CYS A 83 -8.324 -2.079 3.593 1.00 32.21 C ATOM 1258 O CYS A 83 -8.599 -2.163 4.795 1.00 14.43 O ATOM 1259 CB CYS A 83 -10.450 -1.250 2.456 1.00 50.44 C ATOM 1260 SG CYS A 83 -11.545 -1.199 3.896 1.00 32.15 S ATOM 0 H CYS A 83 -10.247 -3.850 3.745 1.00 3.51 H new ATOM 0 HA CYS A 83 -8.875 -2.430 1.552 1.00 51.11 H new ATOM 0 HB2 CYS A 83 -9.939 -0.291 2.367 1.00 50.44 H new ATOM 0 HB3 CYS A 83 -11.054 -1.375 1.557 1.00 50.44 H new ATOM 0 HG CYS A 83 -10.871 -0.817 4.940 1.00 32.15 H new ATOM 1266 N ALA A 84 -7.103 -1.740 3.144 1.00 34.22 N ATOM 1267 CA ALA A 84 -5.949 -1.450 4.021 1.00 53.11 C ATOM 1268 C ALA A 84 -5.807 0.070 4.271 1.00 50.21 C ATOM 1269 O ALA A 84 -5.760 0.855 3.324 1.00 25.20 O ATOM 1270 CB ALA A 84 -4.677 -2.009 3.373 1.00 13.43 C ATOM 0 H ALA A 84 -6.885 -1.658 2.151 1.00 34.22 H new ATOM 0 HA ALA A 84 -6.108 -1.927 4.988 1.00 53.11 H new ATOM 0 HB1 ALA A 84 -3.820 -1.800 4.013 1.00 13.43 H new ATOM 0 HB2 ALA A 84 -4.778 -3.087 3.243 1.00 13.43 H new ATOM 0 HB3 ALA A 84 -4.527 -1.539 2.401 1.00 13.43 H new ATOM 1276 N TYR A 85 -5.728 0.475 5.549 1.00 24.23 N ATOM 1277 CA TYR A 85 -5.686 1.906 5.941 1.00 73.43 C ATOM 1278 C TYR A 85 -4.252 2.361 6.301 1.00 34.51 C ATOM 1279 O TYR A 85 -3.491 1.614 6.917 1.00 3.30 O ATOM 1280 CB TYR A 85 -6.645 2.148 7.130 1.00 72.21 C ATOM 1281 CG TYR A 85 -8.117 1.838 6.804 1.00 15.03 C ATOM 1282 CD1 TYR A 85 -8.910 2.768 6.125 1.00 5.52 C ATOM 1283 CD2 TYR A 85 -8.708 0.622 7.167 1.00 52.34 C ATOM 1284 CE1 TYR A 85 -10.228 2.495 5.815 1.00 54.53 C ATOM 1285 CE2 TYR A 85 -10.028 0.348 6.853 1.00 45.35 C ATOM 1286 CZ TYR A 85 -10.783 1.292 6.185 1.00 20.40 C ATOM 1287 OH TYR A 85 -12.101 1.026 5.877 1.00 61.31 O ATOM 0 H TYR A 85 -5.691 -0.169 6.339 1.00 24.23 H new ATOM 0 HA TYR A 85 -6.009 2.501 5.087 1.00 73.43 H new ATOM 0 HB2 TYR A 85 -6.330 1.532 7.972 1.00 72.21 H new ATOM 0 HB3 TYR A 85 -6.562 3.187 7.447 1.00 72.21 H new ATOM 0 HD1 TYR A 85 -8.484 3.718 5.837 1.00 5.52 H new ATOM 0 HD2 TYR A 85 -8.125 -0.114 7.700 1.00 52.34 H new ATOM 0 HE1 TYR A 85 -10.821 3.224 5.283 1.00 54.53 H new ATOM 0 HE2 TYR A 85 -10.466 -0.600 7.129 1.00 45.35 H new ATOM 0 HH TYR A 85 -12.144 0.498 5.053 1.00 61.31 H new ATOM 1297 N PHE A 86 -3.900 3.594 5.884 1.00 64.22 N ATOM 1298 CA PHE A 86 -2.591 4.234 6.178 1.00 0.43 C ATOM 1299 C PHE A 86 -2.795 5.724 6.544 1.00 20.34 C ATOM 1300 O PHE A 86 -3.639 6.406 5.957 1.00 12.15 O ATOM 1301 CB PHE A 86 -1.625 4.136 4.958 1.00 22.54 C ATOM 1302 CG PHE A 86 -1.269 2.710 4.533 1.00 71.40 C ATOM 1303 CD1 PHE A 86 -0.232 2.016 5.158 1.00 65.31 C ATOM 1304 CD2 PHE A 86 -1.972 2.064 3.515 1.00 2.43 C ATOM 1305 CE1 PHE A 86 0.090 0.726 4.778 1.00 0.35 C ATOM 1306 CE2 PHE A 86 -1.650 0.774 3.141 1.00 0.12 C ATOM 1307 CZ PHE A 86 -0.618 0.106 3.772 1.00 51.14 C ATOM 0 H PHE A 86 -4.519 4.184 5.328 1.00 64.22 H new ATOM 0 HA PHE A 86 -2.146 3.703 7.020 1.00 0.43 H new ATOM 0 HB2 PHE A 86 -2.079 4.650 4.111 1.00 22.54 H new ATOM 0 HB3 PHE A 86 -0.705 4.669 5.198 1.00 22.54 H new ATOM 0 HD1 PHE A 86 0.327 2.493 5.950 1.00 65.31 H new ATOM 0 HD2 PHE A 86 -2.778 2.579 3.013 1.00 2.43 H new ATOM 0 HE1 PHE A 86 0.897 0.204 5.270 1.00 0.35 H new ATOM 0 HE2 PHE A 86 -2.206 0.286 2.354 1.00 0.12 H new ATOM 0 HZ PHE A 86 -0.367 -0.902 3.477 1.00 51.14 H new ATOM 1317 N THR A 87 -2.011 6.220 7.518 1.00 14.13 N ATOM 1318 CA THR A 87 -2.001 7.654 7.905 1.00 24.24 C ATOM 1319 C THR A 87 -0.547 8.140 8.064 1.00 55.25 C ATOM 1320 O THR A 87 0.134 7.786 9.030 1.00 4.11 O ATOM 1321 CB THR A 87 -2.818 7.910 9.224 1.00 30.34 C ATOM 1322 OG1 THR A 87 -4.192 7.517 9.030 1.00 65.31 O ATOM 1323 CG2 THR A 87 -2.778 9.389 9.677 1.00 73.00 C ATOM 0 H THR A 87 -1.366 5.645 8.061 1.00 14.13 H new ATOM 0 HA THR A 87 -2.487 8.222 7.111 1.00 24.24 H new ATOM 0 HB THR A 87 -2.350 7.312 10.006 1.00 30.34 H new ATOM 0 HG1 THR A 87 -4.697 7.676 9.854 1.00 65.31 H new ATOM 0 HG21 THR A 87 -3.359 9.505 10.592 1.00 73.00 H new ATOM 0 HG22 THR A 87 -1.745 9.685 9.863 1.00 73.00 H new ATOM 0 HG23 THR A 87 -3.201 10.020 8.896 1.00 73.00 H new ATOM 1331 N VAL A 88 -0.069 8.939 7.094 1.00 31.23 N ATOM 1332 CA VAL A 88 1.334 9.402 7.046 1.00 14.55 C ATOM 1333 C VAL A 88 1.472 10.821 7.660 1.00 41.12 C ATOM 1334 O VAL A 88 1.116 11.813 7.023 1.00 1.11 O ATOM 1335 CB VAL A 88 1.884 9.393 5.564 1.00 42.43 C ATOM 1336 CG1 VAL A 88 3.384 9.783 5.506 1.00 5.55 C ATOM 1337 CG2 VAL A 88 1.643 8.018 4.888 1.00 51.14 C ATOM 0 H VAL A 88 -0.640 9.283 6.322 1.00 31.23 H new ATOM 0 HA VAL A 88 1.931 8.709 7.639 1.00 14.55 H new ATOM 0 HB VAL A 88 1.328 10.147 5.007 1.00 42.43 H new ATOM 0 HG11 VAL A 88 3.725 9.765 4.471 1.00 5.55 H new ATOM 0 HG12 VAL A 88 3.515 10.785 5.914 1.00 5.55 H new ATOM 0 HG13 VAL A 88 3.967 9.073 6.092 1.00 5.55 H new ATOM 0 HG21 VAL A 88 2.031 8.040 3.870 1.00 51.14 H new ATOM 0 HG22 VAL A 88 2.154 7.240 5.454 1.00 51.14 H new ATOM 0 HG23 VAL A 88 0.574 7.807 4.864 1.00 51.14 H new ATOM 1347 N THR A 89 1.973 10.913 8.911 1.00 53.23 N ATOM 1348 CA THR A 89 2.265 12.212 9.570 1.00 24.23 C ATOM 1349 C THR A 89 3.581 12.800 9.020 1.00 31.22 C ATOM 1350 O THR A 89 4.655 12.206 9.197 1.00 12.24 O ATOM 1351 CB THR A 89 2.372 12.083 11.133 1.00 61.14 C ATOM 1352 OG1 THR A 89 1.149 11.548 11.663 1.00 3.33 O ATOM 1353 CG2 THR A 89 2.672 13.436 11.827 1.00 65.31 C ATOM 0 H THR A 89 2.186 10.101 9.490 1.00 53.23 H new ATOM 0 HA THR A 89 1.430 12.875 9.346 1.00 24.23 H new ATOM 0 HB THR A 89 3.207 11.413 11.337 1.00 61.14 H new ATOM 0 HG1 THR A 89 1.222 11.468 12.637 1.00 3.33 H new ATOM 0 HG21 THR A 89 2.735 13.286 12.905 1.00 65.31 H new ATOM 0 HG22 THR A 89 3.619 13.831 11.460 1.00 65.31 H new ATOM 0 HG23 THR A 89 1.873 14.144 11.605 1.00 65.31 H new ATOM 1361 N ILE A 90 3.491 13.961 8.341 1.00 73.14 N ATOM 1362 CA ILE A 90 4.669 14.658 7.774 1.00 33.51 C ATOM 1363 C ILE A 90 5.329 15.575 8.822 1.00 61.30 C ATOM 1364 O ILE A 90 4.659 16.362 9.495 1.00 2.35 O ATOM 1365 CB ILE A 90 4.303 15.486 6.484 1.00 61.53 C ATOM 1366 CG1 ILE A 90 3.583 14.590 5.423 1.00 32.22 C ATOM 1367 CG2 ILE A 90 5.561 16.172 5.874 1.00 14.40 C ATOM 1368 CD1 ILE A 90 4.430 13.468 4.841 1.00 24.31 C ATOM 0 H ILE A 90 2.608 14.441 8.170 1.00 73.14 H new ATOM 0 HA ILE A 90 5.381 13.885 7.484 1.00 33.51 H new ATOM 0 HB ILE A 90 3.610 16.272 6.784 1.00 61.53 H new ATOM 0 HG12 ILE A 90 2.696 14.153 5.882 1.00 32.22 H new ATOM 0 HG13 ILE A 90 3.240 15.226 4.607 1.00 32.22 H new ATOM 0 HG21 ILE A 90 5.274 16.735 4.986 1.00 14.40 H new ATOM 0 HG22 ILE A 90 5.998 16.850 6.608 1.00 14.40 H new ATOM 0 HG23 ILE A 90 6.293 15.412 5.601 1.00 14.40 H new ATOM 0 HD11 ILE A 90 3.841 12.906 4.117 1.00 24.31 H new ATOM 0 HD12 ILE A 90 5.305 13.891 4.347 1.00 24.31 H new ATOM 0 HD13 ILE A 90 4.752 12.802 5.642 1.00 24.31 H new