USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 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 35:sc= 1.09 USER MOD Set 1.2: A 85 TYR OH : rot 122:sc= 1.32 USER MOD Set 2.1: A 27 CYS SG : rot 97:sc= -1.38 USER MOD Set 2.2: A 77 CYS SG : rot 120:sc= -2.28 USER MOD Single : A 5 HIS : no HE2:sc= 0.042 X(o=0.042,f=-0.32) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -36:sc= 0.381 USER MOD Single : A 22 CYS SG : rot 30:sc= 0.143 USER MOD Single : A 24 MET CE :methyl 170:sc= -0.576 (180deg=-0.672) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.68 (180deg=0.614) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 48 SER OG : rot 180:sc= 0.226 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.0352 F(o=-1.5!,f=-0.035) USER MOD Single : A 67 THR OG1 : rot 80:sc= -0.333 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 63:sc= 0.139 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.81 F(o=4e-05,f=0.81) 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 -12.196 -11.966 -2.508 1.00 10.41 N ATOM 51 CA VAL A 4 -10.898 -11.308 -2.173 1.00 64.12 C ATOM 52 C VAL A 4 -10.912 -10.690 -0.740 1.00 3.33 C ATOM 53 O VAL A 4 -11.894 -10.067 -0.316 1.00 64.24 O ATOM 54 CB VAL A 4 -10.496 -10.210 -3.249 1.00 61.04 C ATOM 55 CG1 VAL A 4 -11.557 -9.082 -3.360 1.00 11.41 C ATOM 56 CG2 VAL A 4 -9.072 -9.635 -2.985 1.00 54.31 C ATOM 0 HA VAL A 4 -10.140 -12.091 -2.193 1.00 64.12 H new ATOM 0 HB VAL A 4 -10.468 -10.714 -4.215 1.00 61.04 H new ATOM 0 HG11 VAL A 4 -11.239 -8.355 -4.107 1.00 11.41 H new ATOM 0 HG12 VAL A 4 -12.514 -9.511 -3.656 1.00 11.41 H new ATOM 0 HG13 VAL A 4 -11.664 -8.587 -2.395 1.00 11.41 H new ATOM 0 HG21 VAL A 4 -8.835 -8.888 -3.742 1.00 54.31 H new ATOM 0 HG22 VAL A 4 -9.043 -9.173 -1.998 1.00 54.31 H new ATOM 0 HG23 VAL A 4 -8.340 -10.441 -3.030 1.00 54.31 H new ATOM 66 N HIS A 5 -9.804 -10.899 -0.002 1.00 3.11 N ATOM 67 CA HIS A 5 -9.574 -10.347 1.350 1.00 4.13 C ATOM 68 C HIS A 5 -8.059 -10.052 1.566 1.00 24.31 C ATOM 69 O HIS A 5 -7.236 -10.969 1.550 1.00 24.54 O ATOM 70 CB HIS A 5 -10.086 -11.340 2.429 1.00 33.45 C ATOM 71 CG HIS A 5 -9.986 -10.824 3.850 1.00 34.13 C ATOM 72 ND1 HIS A 5 -10.942 -10.011 4.417 1.00 72.02 N ATOM 73 CD2 HIS A 5 -9.026 -10.982 4.805 1.00 61.01 C ATOM 74 CE1 HIS A 5 -10.585 -9.696 5.644 1.00 54.20 C ATOM 75 NE2 HIS A 5 -9.428 -10.267 5.907 1.00 35.32 N ATOM 0 H HIS A 5 -9.026 -11.469 -0.336 1.00 3.11 H new ATOM 0 HA HIS A 5 -10.127 -9.412 1.442 1.00 4.13 H new ATOM 0 HB2 HIS A 5 -11.127 -11.584 2.216 1.00 33.45 H new ATOM 0 HB3 HIS A 5 -9.518 -12.267 2.351 1.00 33.45 H new ATOM 0 HD1 HIS A 5 -11.797 -9.700 3.956 1.00 72.02 H new ATOM 0 HD2 HIS A 5 -8.119 -11.561 4.712 1.00 61.01 H new ATOM 0 HE1 HIS A 5 -11.148 -9.072 6.323 1.00 54.20 H new ATOM 84 N ILE A 6 -7.711 -8.773 1.785 1.00 33.21 N ATOM 85 CA ILE A 6 -6.321 -8.347 2.080 1.00 70.13 C ATOM 86 C ILE A 6 -5.797 -9.012 3.388 1.00 14.12 C ATOM 87 O ILE A 6 -6.342 -8.787 4.474 1.00 35.20 O ATOM 88 CB ILE A 6 -6.225 -6.777 2.186 1.00 4.23 C ATOM 89 CG1 ILE A 6 -6.688 -6.123 0.847 1.00 21.35 C ATOM 90 CG2 ILE A 6 -4.794 -6.311 2.571 1.00 21.00 C ATOM 91 CD1 ILE A 6 -6.689 -4.607 0.835 1.00 14.01 C ATOM 0 H ILE A 6 -8.379 -8.002 1.764 1.00 33.21 H new ATOM 0 HA ILE A 6 -5.691 -8.676 1.254 1.00 70.13 H new ATOM 0 HB ILE A 6 -6.890 -6.450 2.985 1.00 4.23 H new ATOM 0 HG12 ILE A 6 -6.039 -6.476 0.045 1.00 21.35 H new ATOM 0 HG13 ILE A 6 -7.695 -6.473 0.620 1.00 21.35 H new ATOM 0 HG21 ILE A 6 -4.770 -5.223 2.634 1.00 21.00 H new ATOM 0 HG22 ILE A 6 -4.520 -6.736 3.537 1.00 21.00 H new ATOM 0 HG23 ILE A 6 -4.086 -6.646 1.813 1.00 21.00 H new ATOM 0 HD11 ILE A 6 -7.026 -4.251 -0.139 1.00 14.01 H new ATOM 0 HD12 ILE A 6 -7.362 -4.237 1.609 1.00 14.01 H new ATOM 0 HD13 ILE A 6 -5.680 -4.241 1.026 1.00 14.01 H new ATOM 103 N VAL A 7 -4.753 -9.846 3.250 1.00 64.43 N ATOM 104 CA VAL A 7 -4.176 -10.630 4.370 1.00 22.13 C ATOM 105 C VAL A 7 -3.126 -9.825 5.182 1.00 12.23 C ATOM 106 O VAL A 7 -2.775 -10.212 6.305 1.00 13.31 O ATOM 107 CB VAL A 7 -3.544 -11.972 3.838 1.00 71.32 C ATOM 108 CG1 VAL A 7 -4.634 -12.882 3.215 1.00 0.51 C ATOM 109 CG2 VAL A 7 -2.396 -11.706 2.826 1.00 4.44 C ATOM 0 H VAL A 7 -4.280 -10.000 2.360 1.00 64.43 H new ATOM 0 HA VAL A 7 -4.997 -10.863 5.049 1.00 22.13 H new ATOM 0 HB VAL A 7 -3.109 -12.492 4.691 1.00 71.32 H new ATOM 0 HG11 VAL A 7 -4.176 -13.803 2.854 1.00 0.51 H new ATOM 0 HG12 VAL A 7 -5.384 -13.121 3.970 1.00 0.51 H new ATOM 0 HG13 VAL A 7 -5.109 -12.363 2.383 1.00 0.51 H new ATOM 0 HG21 VAL A 7 -1.986 -12.656 2.483 1.00 4.44 H new ATOM 0 HG22 VAL A 7 -2.784 -11.149 1.973 1.00 4.44 H new ATOM 0 HG23 VAL A 7 -1.611 -11.126 3.311 1.00 4.44 H new ATOM 119 N ASP A 8 -2.631 -8.715 4.594 1.00 51.11 N ATOM 120 CA ASP A 8 -1.647 -7.826 5.243 1.00 33.54 C ATOM 121 C ASP A 8 -1.633 -6.442 4.530 1.00 33.14 C ATOM 122 O ASP A 8 -1.563 -6.401 3.313 1.00 42.44 O ATOM 123 CB ASP A 8 -0.239 -8.483 5.195 1.00 52.45 C ATOM 124 CG ASP A 8 0.791 -7.751 6.067 1.00 4.12 C ATOM 125 OD1 ASP A 8 0.763 -7.943 7.307 1.00 44.15 O ATOM 126 OD2 ASP A 8 1.620 -6.983 5.532 1.00 42.23 O ATOM 0 H ASP A 8 -2.902 -8.412 3.659 1.00 51.11 H new ATOM 0 HA ASP A 8 -1.926 -7.673 6.286 1.00 33.54 H new ATOM 0 HB2 ASP A 8 -0.316 -9.519 5.524 1.00 52.45 H new ATOM 0 HB3 ASP A 8 0.113 -8.501 4.164 1.00 52.45 H new ATOM 131 N PRO A 9 -1.763 -5.280 5.247 1.00 50.52 N ATOM 132 CA PRO A 9 -2.087 -5.207 6.693 1.00 33.41 C ATOM 133 C PRO A 9 -3.614 -5.313 6.978 1.00 45.21 C ATOM 134 O PRO A 9 -4.448 -5.126 6.084 1.00 4.13 O ATOM 135 CB PRO A 9 -1.534 -3.820 7.083 1.00 73.24 C ATOM 136 CG PRO A 9 -1.756 -2.979 5.861 1.00 60.20 C ATOM 137 CD PRO A 9 -1.559 -3.912 4.673 1.00 54.22 C ATOM 0 HA PRO A 9 -1.660 -6.033 7.262 1.00 33.41 H new ATOM 0 HB2 PRO A 9 -2.057 -3.412 7.948 1.00 73.24 H new ATOM 0 HB3 PRO A 9 -0.477 -3.872 7.344 1.00 73.24 H new ATOM 0 HG2 PRO A 9 -2.758 -2.549 5.859 1.00 60.20 H new ATOM 0 HG3 PRO A 9 -1.052 -2.147 5.826 1.00 60.20 H new ATOM 0 HD2 PRO A 9 -2.275 -3.702 3.878 1.00 54.22 H new ATOM 0 HD3 PRO A 9 -0.564 -3.805 4.242 1.00 54.22 H new ATOM 145 N ARG A 10 -3.957 -5.601 8.243 1.00 25.22 N ATOM 146 CA ARG A 10 -5.358 -5.830 8.682 1.00 4.31 C ATOM 147 C ARG A 10 -5.890 -4.662 9.562 1.00 52.31 C ATOM 148 O ARG A 10 -6.915 -4.809 10.238 1.00 1.13 O ATOM 149 CB ARG A 10 -5.429 -7.179 9.455 1.00 11.44 C ATOM 150 CG ARG A 10 -4.923 -8.403 8.651 1.00 10.13 C ATOM 151 CD ARG A 10 -4.891 -9.700 9.486 1.00 31.33 C ATOM 152 NE ARG A 10 -4.220 -10.802 8.762 1.00 42.13 N ATOM 153 CZ ARG A 10 -3.768 -11.915 9.309 1.00 42.50 C ATOM 154 NH1 ARG A 10 -3.969 -12.188 10.558 1.00 24.21 N ATOM 155 NH2 ARG A 10 -3.125 -12.766 8.581 1.00 34.43 N ATOM 0 H ARG A 10 -3.276 -5.684 8.998 1.00 25.22 H new ATOM 0 HA ARG A 10 -5.997 -5.874 7.800 1.00 4.31 H new ATOM 0 HB2 ARG A 10 -4.842 -7.092 10.369 1.00 11.44 H new ATOM 0 HB3 ARG A 10 -6.461 -7.358 9.755 1.00 11.44 H new ATOM 0 HG2 ARG A 10 -5.565 -8.552 7.783 1.00 10.13 H new ATOM 0 HG3 ARG A 10 -3.922 -8.195 8.274 1.00 10.13 H new ATOM 0 HD2 ARG A 10 -4.373 -9.514 10.427 1.00 31.33 H new ATOM 0 HD3 ARG A 10 -5.910 -9.996 9.736 1.00 31.33 H new ATOM 0 HE ARG A 10 -4.096 -10.692 7.755 1.00 42.13 H new ATOM 0 HH11 ARG A 10 -4.488 -11.535 11.146 1.00 24.21 H new ATOM 0 HH12 ARG A 10 -3.608 -13.056 10.955 1.00 24.21 H new ATOM 0 HH21 ARG A 10 -2.970 -12.576 7.591 1.00 34.43 H new ATOM 0 HH22 ARG A 10 -2.772 -13.628 8.996 1.00 34.43 H new ATOM 169 N GLU A 11 -5.201 -3.497 9.522 1.00 32.34 N ATOM 170 CA GLU A 11 -5.535 -2.331 10.388 1.00 62.34 C ATOM 171 C GLU A 11 -4.998 -0.983 9.821 1.00 21.43 C ATOM 172 O GLU A 11 -4.459 -0.930 8.710 1.00 23.02 O ATOM 173 CB GLU A 11 -4.966 -2.567 11.820 1.00 22.33 C ATOM 174 CG GLU A 11 -3.423 -2.601 11.910 1.00 75.22 C ATOM 175 CD GLU A 11 -2.917 -2.748 13.355 1.00 74.10 C ATOM 176 OE1 GLU A 11 -2.877 -1.731 14.086 1.00 63.54 O ATOM 177 OE2 GLU A 11 -2.583 -3.879 13.772 1.00 30.43 O ATOM 0 H GLU A 11 -4.409 -3.335 8.900 1.00 32.34 H new ATOM 0 HA GLU A 11 -6.622 -2.251 10.419 1.00 62.34 H new ATOM 0 HB2 GLU A 11 -5.336 -1.780 12.477 1.00 22.33 H new ATOM 0 HB3 GLU A 11 -5.358 -3.510 12.200 1.00 22.33 H new ATOM 0 HG2 GLU A 11 -3.046 -3.430 11.311 1.00 75.22 H new ATOM 0 HG3 GLU A 11 -3.017 -1.686 11.478 1.00 75.22 H new ATOM 184 N HIS A 12 -5.186 0.102 10.618 1.00 41.44 N ATOM 185 CA HIS A 12 -4.607 1.443 10.355 1.00 4.21 C ATOM 186 C HIS A 12 -3.104 1.454 10.749 1.00 0.21 C ATOM 187 O HIS A 12 -2.773 1.456 11.943 1.00 71.24 O ATOM 188 CB HIS A 12 -5.355 2.537 11.180 1.00 63.12 C ATOM 189 CG HIS A 12 -6.860 2.527 11.056 1.00 12.53 C ATOM 190 ND1 HIS A 12 -7.688 1.965 12.007 1.00 43.11 N ATOM 191 CD2 HIS A 12 -7.685 3.043 10.115 1.00 62.32 C ATOM 192 CE1 HIS A 12 -8.944 2.137 11.655 1.00 73.25 C ATOM 193 NE2 HIS A 12 -8.969 2.787 10.514 1.00 62.33 N ATOM 0 H HIS A 12 -5.749 0.068 11.468 1.00 41.44 H new ATOM 0 HA HIS A 12 -4.716 1.660 9.292 1.00 4.21 H new ATOM 0 HB2 HIS A 12 -5.093 2.417 12.231 1.00 63.12 H new ATOM 0 HB3 HIS A 12 -4.988 3.516 10.870 1.00 63.12 H new ATOM 0 HD2 HIS A 12 -7.386 3.561 9.216 1.00 62.32 H new ATOM 0 HE1 HIS A 12 -9.807 1.801 12.210 1.00 73.25 H new ATOM 0 HE2 HIS A 12 -9.811 3.058 10.006 1.00 62.33 H new ATOM 202 N VAL A 13 -2.198 1.428 9.752 1.00 23.14 N ATOM 203 CA VAL A 13 -0.729 1.438 9.997 1.00 73.22 C ATOM 204 C VAL A 13 -0.166 2.882 9.950 1.00 72.41 C ATOM 205 O VAL A 13 -0.098 3.502 8.881 1.00 11.41 O ATOM 206 CB VAL A 13 0.028 0.511 8.968 1.00 22.34 C ATOM 207 CG1 VAL A 13 1.568 0.534 9.184 1.00 42.42 C ATOM 208 CG2 VAL A 13 -0.521 -0.935 9.043 1.00 74.42 C ATOM 0 H VAL A 13 -2.451 1.400 8.764 1.00 23.14 H new ATOM 0 HA VAL A 13 -0.559 1.040 10.997 1.00 73.22 H new ATOM 0 HB VAL A 13 -0.158 0.906 7.969 1.00 22.34 H new ATOM 0 HG11 VAL A 13 2.048 -0.118 8.454 1.00 42.42 H new ATOM 0 HG12 VAL A 13 1.938 1.552 9.060 1.00 42.42 H new ATOM 0 HG13 VAL A 13 1.800 0.184 10.190 1.00 42.42 H new ATOM 0 HG21 VAL A 13 0.010 -1.563 8.328 1.00 74.42 H new ATOM 0 HG22 VAL A 13 -0.376 -1.328 10.049 1.00 74.42 H new ATOM 0 HG23 VAL A 13 -1.585 -0.933 8.804 1.00 74.42 H new ATOM 218 N PHE A 14 0.221 3.403 11.128 1.00 54.21 N ATOM 219 CA PHE A 14 0.778 4.766 11.270 1.00 73.53 C ATOM 220 C PHE A 14 2.281 4.790 10.879 1.00 2.14 C ATOM 221 O PHE A 14 3.124 4.207 11.569 1.00 63.13 O ATOM 222 CB PHE A 14 0.582 5.282 12.722 1.00 24.24 C ATOM 223 CG PHE A 14 -0.884 5.414 13.156 1.00 53.22 C ATOM 224 CD1 PHE A 14 -1.635 4.288 13.503 1.00 23.23 C ATOM 225 CD2 PHE A 14 -1.507 6.662 13.220 1.00 44.05 C ATOM 226 CE1 PHE A 14 -2.955 4.406 13.895 1.00 51.40 C ATOM 227 CE2 PHE A 14 -2.826 6.778 13.614 1.00 70.23 C ATOM 228 CZ PHE A 14 -3.550 5.651 13.951 1.00 23.32 C ATOM 0 H PHE A 14 0.158 2.894 12.010 1.00 54.21 H new ATOM 0 HA PHE A 14 0.241 5.429 10.592 1.00 73.53 H new ATOM 0 HB2 PHE A 14 1.091 4.604 13.407 1.00 24.24 H new ATOM 0 HB3 PHE A 14 1.065 6.254 12.817 1.00 24.24 H new ATOM 0 HD1 PHE A 14 -1.177 3.311 13.464 1.00 23.23 H new ATOM 0 HD2 PHE A 14 -0.950 7.549 12.958 1.00 44.05 H new ATOM 0 HE1 PHE A 14 -3.521 3.525 14.158 1.00 51.40 H new ATOM 0 HE2 PHE A 14 -3.292 7.751 13.659 1.00 70.23 H new ATOM 0 HZ PHE A 14 -4.581 5.743 14.258 1.00 23.32 H new ATOM 238 N VAL A 15 2.593 5.471 9.763 1.00 72.44 N ATOM 239 CA VAL A 15 3.961 5.566 9.201 1.00 22.12 C ATOM 240 C VAL A 15 4.559 6.974 9.467 1.00 23.32 C ATOM 241 O VAL A 15 4.171 7.951 8.828 1.00 65.15 O ATOM 242 CB VAL A 15 3.929 5.257 7.651 1.00 22.02 C ATOM 243 CG1 VAL A 15 5.347 5.262 7.023 1.00 35.13 C ATOM 244 CG2 VAL A 15 3.200 3.914 7.378 1.00 13.54 C ATOM 0 H VAL A 15 1.898 5.979 9.216 1.00 72.44 H new ATOM 0 HA VAL A 15 4.597 4.829 9.691 1.00 22.12 H new ATOM 0 HB VAL A 15 3.369 6.059 7.170 1.00 22.02 H new ATOM 0 HG11 VAL A 15 5.274 5.045 5.957 1.00 35.13 H new ATOM 0 HG12 VAL A 15 5.804 6.242 7.163 1.00 35.13 H new ATOM 0 HG13 VAL A 15 5.962 4.503 7.507 1.00 35.13 H new ATOM 0 HG21 VAL A 15 3.188 3.718 6.306 1.00 13.54 H new ATOM 0 HG22 VAL A 15 3.723 3.106 7.889 1.00 13.54 H new ATOM 0 HG23 VAL A 15 2.176 3.974 7.747 1.00 13.54 H new ATOM 254 N HIS A 16 5.497 7.072 10.429 1.00 60.22 N ATOM 255 CA HIS A 16 6.124 8.366 10.813 1.00 50.20 C ATOM 256 C HIS A 16 7.184 8.784 9.758 1.00 75.42 C ATOM 257 O HIS A 16 8.237 8.150 9.640 1.00 51.13 O ATOM 258 CB HIS A 16 6.764 8.252 12.225 1.00 14.42 C ATOM 259 CG HIS A 16 5.779 7.996 13.349 1.00 75.23 C ATOM 260 ND1 HIS A 16 5.704 8.784 14.480 1.00 20.14 N ATOM 261 CD2 HIS A 16 4.846 7.020 13.524 1.00 32.33 C ATOM 262 CE1 HIS A 16 4.773 8.318 15.286 1.00 32.30 C ATOM 263 NE2 HIS A 16 4.239 7.248 14.734 1.00 4.13 N ATOM 0 H HIS A 16 5.842 6.272 10.960 1.00 60.22 H new ATOM 0 HA HIS A 16 5.354 9.137 10.846 1.00 50.20 H new ATOM 0 HB2 HIS A 16 7.497 7.446 12.212 1.00 14.42 H new ATOM 0 HB3 HIS A 16 7.306 9.173 12.438 1.00 14.42 H new ATOM 0 HD2 HIS A 16 4.625 6.216 12.838 1.00 32.33 H new ATOM 0 HE1 HIS A 16 4.494 8.742 16.239 1.00 32.30 H new ATOM 0 HE2 HIS A 16 3.495 6.681 15.140 1.00 4.13 H new ATOM 272 N ALA A 17 6.885 9.853 8.994 1.00 74.52 N ATOM 273 CA ALA A 17 7.692 10.268 7.823 1.00 52.31 C ATOM 274 C ALA A 17 8.046 11.770 7.848 1.00 75.41 C ATOM 275 O ALA A 17 7.268 12.602 8.319 1.00 33.31 O ATOM 276 CB ALA A 17 6.930 9.923 6.539 1.00 41.54 C ATOM 0 H ALA A 17 6.079 10.454 9.168 1.00 74.52 H new ATOM 0 HA ALA A 17 8.636 9.724 7.859 1.00 52.31 H new ATOM 0 HB1 ALA A 17 7.519 10.226 5.674 1.00 41.54 H new ATOM 0 HB2 ALA A 17 6.753 8.848 6.499 1.00 41.54 H new ATOM 0 HB3 ALA A 17 5.975 10.449 6.530 1.00 41.54 H new ATOM 282 N ILE A 18 9.240 12.097 7.329 1.00 2.23 N ATOM 283 CA ILE A 18 9.707 13.494 7.161 1.00 25.34 C ATOM 284 C ILE A 18 9.214 14.051 5.792 1.00 71.11 C ATOM 285 O ILE A 18 8.970 13.277 4.859 1.00 3.31 O ATOM 286 CB ILE A 18 11.284 13.557 7.248 1.00 54.23 C ATOM 287 CG1 ILE A 18 11.795 12.846 8.550 1.00 11.01 C ATOM 288 CG2 ILE A 18 11.826 15.009 7.163 1.00 42.00 C ATOM 289 CD1 ILE A 18 13.308 12.703 8.662 1.00 72.55 C ATOM 0 H ILE A 18 9.915 11.402 7.011 1.00 2.23 H new ATOM 0 HA ILE A 18 9.294 14.108 7.961 1.00 25.34 H new ATOM 0 HB ILE A 18 11.673 13.024 6.380 1.00 54.23 H new ATOM 0 HG12 ILE A 18 11.434 13.404 9.414 1.00 11.01 H new ATOM 0 HG13 ILE A 18 11.348 11.853 8.602 1.00 11.01 H new ATOM 0 HG21 ILE A 18 12.914 14.996 7.228 1.00 42.00 H new ATOM 0 HG22 ILE A 18 11.524 15.455 6.215 1.00 42.00 H new ATOM 0 HG23 ILE A 18 11.421 15.597 7.986 1.00 42.00 H new ATOM 0 HD11 ILE A 18 13.558 12.200 9.596 1.00 72.55 H new ATOM 0 HD12 ILE A 18 13.681 12.116 7.822 1.00 72.55 H new ATOM 0 HD13 ILE A 18 13.769 13.691 8.648 1.00 72.55 H new ATOM 301 N THR A 19 9.084 15.389 5.693 1.00 74.51 N ATOM 302 CA THR A 19 8.672 16.107 4.448 1.00 52.24 C ATOM 303 C THR A 19 9.558 15.775 3.207 1.00 21.21 C ATOM 304 O THR A 19 9.114 15.910 2.060 1.00 10.21 O ATOM 305 CB THR A 19 8.706 17.661 4.669 1.00 74.30 C ATOM 306 OG1 THR A 19 10.055 18.096 4.921 1.00 74.51 O ATOM 307 CG2 THR A 19 7.818 18.102 5.846 1.00 1.32 C ATOM 0 H THR A 19 9.261 16.017 6.477 1.00 74.51 H new ATOM 0 HA THR A 19 7.660 15.760 4.239 1.00 52.24 H new ATOM 0 HB THR A 19 8.320 18.118 3.758 1.00 74.30 H new ATOM 0 HG1 THR A 19 10.066 19.067 5.056 1.00 74.51 H new ATOM 0 HG21 THR A 19 7.875 19.185 5.959 1.00 1.32 H new ATOM 0 HG22 THR A 19 6.786 17.811 5.652 1.00 1.32 H new ATOM 0 HG23 THR A 19 8.164 17.623 6.762 1.00 1.32 H new ATOM 315 N SER A 20 10.818 15.358 3.455 1.00 60.10 N ATOM 316 CA SER A 20 11.837 15.101 2.396 1.00 32.22 C ATOM 317 C SER A 20 12.110 13.580 2.170 1.00 61.00 C ATOM 318 O SER A 20 12.956 13.209 1.349 1.00 55.11 O ATOM 319 CB SER A 20 13.151 15.830 2.790 1.00 54.34 C ATOM 320 OG SER A 20 14.127 15.775 1.757 1.00 63.12 O ATOM 0 H SER A 20 11.166 15.187 4.398 1.00 60.10 H new ATOM 0 HA SER A 20 11.448 15.484 1.453 1.00 32.22 H new ATOM 0 HB2 SER A 20 12.930 16.872 3.024 1.00 54.34 H new ATOM 0 HB3 SER A 20 13.557 15.379 3.695 1.00 54.34 H new ATOM 0 HG SER A 20 14.071 14.910 1.300 1.00 63.12 H new ATOM 326 N GLU A 21 11.375 12.703 2.889 1.00 1.23 N ATOM 327 CA GLU A 21 11.603 11.227 2.858 1.00 50.12 C ATOM 328 C GLU A 21 10.681 10.494 1.859 1.00 61.32 C ATOM 329 O GLU A 21 9.601 10.975 1.510 1.00 11.11 O ATOM 330 CB GLU A 21 11.428 10.621 4.284 1.00 31.24 C ATOM 331 CG GLU A 21 12.610 10.883 5.241 1.00 62.51 C ATOM 332 CD GLU A 21 13.911 10.192 4.800 1.00 12.45 C ATOM 333 OE1 GLU A 21 14.037 8.963 5.012 1.00 70.42 O ATOM 334 OE2 GLU A 21 14.799 10.862 4.219 1.00 12.32 O ATOM 0 H GLU A 21 10.612 12.987 3.504 1.00 1.23 H new ATOM 0 HA GLU A 21 12.627 11.079 2.515 1.00 50.12 H new ATOM 0 HB2 GLU A 21 10.520 11.028 4.729 1.00 31.24 H new ATOM 0 HB3 GLU A 21 11.283 9.545 4.192 1.00 31.24 H new ATOM 0 HG2 GLU A 21 12.782 11.957 5.310 1.00 62.51 H new ATOM 0 HG3 GLU A 21 12.344 10.538 6.240 1.00 62.51 H new ATOM 341 N CYS A 22 11.140 9.306 1.415 1.00 5.34 N ATOM 342 CA CYS A 22 10.368 8.406 0.531 1.00 64.21 C ATOM 343 C CYS A 22 9.546 7.388 1.356 1.00 64.42 C ATOM 344 O CYS A 22 10.100 6.658 2.186 1.00 70.41 O ATOM 345 CB CYS A 22 11.320 7.660 -0.441 1.00 51.34 C ATOM 346 SG CYS A 22 12.551 6.598 0.361 1.00 4.10 S ATOM 0 H CYS A 22 12.061 8.942 1.660 1.00 5.34 H new ATOM 0 HA CYS A 22 9.674 9.015 -0.049 1.00 64.21 H new ATOM 0 HB2 CYS A 22 10.721 7.050 -1.117 1.00 51.34 H new ATOM 0 HB3 CYS A 22 11.841 8.396 -1.053 1.00 51.34 H new ATOM 0 HG CYS A 22 12.073 6.152 1.485 1.00 4.10 H new ATOM 352 N VAL A 23 8.215 7.348 1.125 1.00 14.33 N ATOM 353 CA VAL A 23 7.297 6.418 1.833 1.00 64.34 C ATOM 354 C VAL A 23 6.841 5.278 0.893 1.00 22.45 C ATOM 355 O VAL A 23 6.242 5.524 -0.160 1.00 45.12 O ATOM 356 CB VAL A 23 6.044 7.176 2.419 1.00 42.40 C ATOM 357 CG1 VAL A 23 5.047 6.214 3.106 1.00 63.45 C ATOM 358 CG2 VAL A 23 6.489 8.277 3.405 1.00 51.25 C ATOM 0 H VAL A 23 7.747 7.952 0.450 1.00 14.33 H new ATOM 0 HA VAL A 23 7.849 5.986 2.668 1.00 64.34 H new ATOM 0 HB VAL A 23 5.526 7.636 1.578 1.00 42.40 H new ATOM 0 HG11 VAL A 23 4.201 6.782 3.494 1.00 63.45 H new ATOM 0 HG12 VAL A 23 4.691 5.481 2.382 1.00 63.45 H new ATOM 0 HG13 VAL A 23 5.545 5.699 3.928 1.00 63.45 H new ATOM 0 HG21 VAL A 23 5.611 8.789 3.799 1.00 51.25 H new ATOM 0 HG22 VAL A 23 7.045 7.826 4.227 1.00 51.25 H new ATOM 0 HG23 VAL A 23 7.125 8.994 2.886 1.00 51.25 H new ATOM 368 N MET A 24 7.151 4.031 1.287 1.00 73.34 N ATOM 369 CA MET A 24 6.755 2.815 0.554 1.00 4.24 C ATOM 370 C MET A 24 5.681 2.030 1.354 1.00 41.25 C ATOM 371 O MET A 24 6.009 1.265 2.268 1.00 64.15 O ATOM 372 CB MET A 24 8.006 1.937 0.278 1.00 31.02 C ATOM 373 CG MET A 24 9.079 2.612 -0.593 1.00 34.11 C ATOM 374 SD MET A 24 10.537 1.568 -0.853 1.00 24.43 S ATOM 375 CE MET A 24 9.821 0.143 -1.674 1.00 61.25 C ATOM 0 H MET A 24 7.689 3.836 2.132 1.00 73.34 H new ATOM 0 HA MET A 24 6.317 3.097 -0.403 1.00 4.24 H new ATOM 0 HB2 MET A 24 8.454 1.655 1.231 1.00 31.02 H new ATOM 0 HB3 MET A 24 7.687 1.016 -0.209 1.00 31.02 H new ATOM 0 HG2 MET A 24 8.646 2.869 -1.560 1.00 34.11 H new ATOM 0 HG3 MET A 24 9.387 3.546 -0.123 1.00 34.11 H new ATOM 0 HE1 MET A 24 10.618 -0.498 -2.052 1.00 61.25 H new ATOM 0 HE2 MET A 24 9.210 -0.416 -0.965 1.00 61.25 H new ATOM 0 HE3 MET A 24 9.199 0.476 -2.505 1.00 61.25 H new ATOM 385 N LEU A 25 4.398 2.272 1.027 1.00 52.34 N ATOM 386 CA LEU A 25 3.243 1.583 1.660 1.00 23.32 C ATOM 387 C LEU A 25 2.968 0.243 0.956 1.00 45.43 C ATOM 388 O LEU A 25 2.796 0.223 -0.252 1.00 11.44 O ATOM 389 CB LEU A 25 1.996 2.491 1.574 1.00 74.11 C ATOM 390 CG LEU A 25 2.141 3.880 2.261 1.00 24.12 C ATOM 391 CD1 LEU A 25 0.896 4.750 2.029 1.00 44.14 C ATOM 392 CD2 LEU A 25 2.445 3.723 3.768 1.00 22.01 C ATOM 0 H LEU A 25 4.126 2.951 0.316 1.00 52.34 H new ATOM 0 HA LEU A 25 3.476 1.382 2.706 1.00 23.32 H new ATOM 0 HB2 LEU A 25 1.751 2.647 0.523 1.00 74.11 H new ATOM 0 HB3 LEU A 25 1.153 1.967 2.024 1.00 74.11 H new ATOM 0 HG LEU A 25 2.987 4.392 1.803 1.00 24.12 H new ATOM 0 HD11 LEU A 25 1.028 5.713 2.521 1.00 44.14 H new ATOM 0 HD12 LEU A 25 0.755 4.905 0.959 1.00 44.14 H new ATOM 0 HD13 LEU A 25 0.020 4.249 2.441 1.00 44.14 H new ATOM 0 HD21 LEU A 25 2.542 4.708 4.224 1.00 22.01 H new ATOM 0 HD22 LEU A 25 1.632 3.179 4.248 1.00 22.01 H new ATOM 0 HD23 LEU A 25 3.376 3.171 3.896 1.00 22.01 H new ATOM 404 N ALA A 26 2.896 -0.863 1.713 1.00 71.50 N ATOM 405 CA ALA A 26 2.796 -2.226 1.135 1.00 62.13 C ATOM 406 C ALA A 26 1.528 -2.976 1.617 1.00 52.31 C ATOM 407 O ALA A 26 1.150 -2.888 2.786 1.00 72.20 O ATOM 408 CB ALA A 26 4.071 -3.004 1.483 1.00 44.42 C ATOM 0 H ALA A 26 2.905 -0.847 2.733 1.00 71.50 H new ATOM 0 HA ALA A 26 2.702 -2.141 0.052 1.00 62.13 H new ATOM 0 HB1 ALA A 26 4.010 -4.008 1.064 1.00 44.42 H new ATOM 0 HB2 ALA A 26 4.937 -2.489 1.067 1.00 44.42 H new ATOM 0 HB3 ALA A 26 4.174 -3.069 2.566 1.00 44.42 H new ATOM 414 N CYS A 27 0.888 -3.710 0.689 1.00 10.24 N ATOM 415 CA CYS A 27 -0.325 -4.517 0.962 1.00 5.12 C ATOM 416 C CYS A 27 -0.245 -5.880 0.239 1.00 40.35 C ATOM 417 O CYS A 27 -0.190 -5.934 -0.990 1.00 44.15 O ATOM 418 CB CYS A 27 -1.599 -3.763 0.502 1.00 32.42 C ATOM 419 SG CYS A 27 -1.899 -2.204 1.366 1.00 40.33 S ATOM 0 H CYS A 27 1.197 -3.763 -0.281 1.00 10.24 H new ATOM 0 HA CYS A 27 -0.380 -4.685 2.038 1.00 5.12 H new ATOM 0 HB2 CYS A 27 -1.522 -3.563 -0.567 1.00 32.42 H new ATOM 0 HB3 CYS A 27 -2.462 -4.414 0.643 1.00 32.42 H new ATOM 0 HG CYS A 27 -1.443 -1.218 0.652 1.00 40.33 H new ATOM 425 N GLU A 28 -0.222 -6.974 1.006 1.00 41.23 N ATOM 426 CA GLU A 28 -0.281 -8.342 0.464 1.00 43.12 C ATOM 427 C GLU A 28 -1.732 -8.863 0.434 1.00 51.41 C ATOM 428 O GLU A 28 -2.493 -8.715 1.401 1.00 12.32 O ATOM 429 CB GLU A 28 0.635 -9.281 1.278 1.00 54.41 C ATOM 430 CG GLU A 28 2.136 -9.000 1.076 1.00 72.21 C ATOM 431 CD GLU A 28 3.036 -9.822 2.011 1.00 54.01 C ATOM 432 OE1 GLU A 28 3.379 -10.971 1.660 1.00 24.23 O ATOM 433 OE2 GLU A 28 3.385 -9.329 3.104 1.00 62.25 O ATOM 0 H GLU A 28 -0.162 -6.940 2.024 1.00 41.23 H new ATOM 0 HA GLU A 28 0.080 -8.322 -0.564 1.00 43.12 H new ATOM 0 HB2 GLU A 28 0.394 -9.183 2.337 1.00 54.41 H new ATOM 0 HB3 GLU A 28 0.425 -10.313 0.998 1.00 54.41 H new ATOM 0 HG2 GLU A 28 2.404 -9.216 0.042 1.00 72.21 H new ATOM 0 HG3 GLU A 28 2.326 -7.939 1.239 1.00 72.21 H new ATOM 440 N VAL A 29 -2.099 -9.473 -0.702 1.00 70.11 N ATOM 441 CA VAL A 29 -3.465 -9.954 -0.984 1.00 43.43 C ATOM 442 C VAL A 29 -3.490 -11.498 -1.127 1.00 54.04 C ATOM 443 O VAL A 29 -2.485 -12.114 -1.504 1.00 62.24 O ATOM 444 CB VAL A 29 -4.007 -9.256 -2.290 1.00 24.35 C ATOM 445 CG1 VAL A 29 -4.078 -7.721 -2.097 1.00 25.24 C ATOM 446 CG2 VAL A 29 -3.133 -9.593 -3.526 1.00 1.11 C ATOM 0 H VAL A 29 -1.446 -9.650 -1.465 1.00 70.11 H new ATOM 0 HA VAL A 29 -4.114 -9.694 -0.148 1.00 43.43 H new ATOM 0 HB VAL A 29 -5.010 -9.642 -2.471 1.00 24.35 H new ATOM 0 HG11 VAL A 29 -4.454 -7.257 -3.009 1.00 25.24 H new ATOM 0 HG12 VAL A 29 -4.747 -7.489 -1.269 1.00 25.24 H new ATOM 0 HG13 VAL A 29 -3.082 -7.335 -1.878 1.00 25.24 H new ATOM 0 HG21 VAL A 29 -3.539 -9.094 -4.406 1.00 1.11 H new ATOM 0 HG22 VAL A 29 -2.112 -9.252 -3.354 1.00 1.11 H new ATOM 0 HG23 VAL A 29 -3.133 -10.671 -3.689 1.00 1.11 H new ATOM 456 N ASP A 30 -4.643 -12.111 -0.807 1.00 22.35 N ATOM 457 CA ASP A 30 -4.855 -13.581 -0.922 1.00 21.03 C ATOM 458 C ASP A 30 -5.044 -14.027 -2.398 1.00 61.41 C ATOM 459 O ASP A 30 -4.616 -15.115 -2.795 1.00 15.44 O ATOM 460 CB ASP A 30 -6.078 -14.016 -0.049 1.00 70.43 C ATOM 461 CG ASP A 30 -7.420 -13.327 -0.384 1.00 74.23 C ATOM 462 OD1 ASP A 30 -7.434 -12.299 -1.099 1.00 25.10 O ATOM 463 OD2 ASP A 30 -8.475 -13.808 0.081 1.00 34.24 O ATOM 0 H ASP A 30 -5.460 -11.609 -0.460 1.00 22.35 H new ATOM 0 HA ASP A 30 -3.958 -14.078 -0.551 1.00 21.03 H new ATOM 0 HB2 ASP A 30 -6.209 -15.093 -0.151 1.00 70.43 H new ATOM 0 HB3 ASP A 30 -5.842 -13.821 0.997 1.00 70.43 H new ATOM 468 N ARG A 31 -5.709 -13.169 -3.188 1.00 51.54 N ATOM 469 CA ARG A 31 -5.870 -13.339 -4.644 1.00 71.05 C ATOM 470 C ARG A 31 -4.856 -12.418 -5.340 1.00 64.01 C ATOM 471 O ARG A 31 -5.133 -11.233 -5.562 1.00 12.31 O ATOM 472 CB ARG A 31 -7.333 -13.015 -5.108 1.00 65.51 C ATOM 473 CG ARG A 31 -8.380 -14.139 -4.883 1.00 55.21 C ATOM 474 CD ARG A 31 -8.540 -14.543 -3.409 1.00 51.13 C ATOM 475 NE ARG A 31 -9.606 -15.538 -3.188 1.00 74.42 N ATOM 476 CZ ARG A 31 -9.422 -16.826 -2.966 1.00 23.32 C ATOM 477 NH1 ARG A 31 -8.244 -17.365 -3.042 1.00 63.55 N ATOM 478 NH2 ARG A 31 -10.430 -17.568 -2.672 1.00 33.45 N ATOM 0 H ARG A 31 -6.157 -12.325 -2.830 1.00 51.54 H new ATOM 0 HA ARG A 31 -5.685 -14.379 -4.913 1.00 71.05 H new ATOM 0 HB2 ARG A 31 -7.670 -12.121 -4.584 1.00 65.51 H new ATOM 0 HB3 ARG A 31 -7.311 -12.773 -6.170 1.00 65.51 H new ATOM 0 HG2 ARG A 31 -9.345 -13.808 -5.267 1.00 55.21 H new ATOM 0 HG3 ARG A 31 -8.090 -15.016 -5.462 1.00 55.21 H new ATOM 0 HD2 ARG A 31 -7.595 -14.947 -3.046 1.00 51.13 H new ATOM 0 HD3 ARG A 31 -8.755 -13.653 -2.817 1.00 51.13 H new ATOM 0 HE ARG A 31 -10.569 -15.202 -3.208 1.00 74.42 H new ATOM 0 HH11 ARG A 31 -7.435 -16.791 -3.278 1.00 63.55 H new ATOM 0 HH12 ARG A 31 -8.127 -18.363 -2.866 1.00 63.55 H new ATOM 0 HH21 ARG A 31 -11.363 -17.160 -2.612 1.00 33.45 H new ATOM 0 HH22 ARG A 31 -10.297 -18.564 -2.499 1.00 33.45 H new ATOM 492 N GLU A 32 -3.667 -12.971 -5.639 1.00 55.23 N ATOM 493 CA GLU A 32 -2.551 -12.218 -6.258 1.00 71.14 C ATOM 494 C GLU A 32 -2.889 -11.730 -7.688 1.00 71.25 C ATOM 495 O GLU A 32 -2.232 -10.837 -8.216 1.00 11.21 O ATOM 496 CB GLU A 32 -1.267 -13.085 -6.265 1.00 71.11 C ATOM 497 CG GLU A 32 -1.305 -14.327 -7.179 1.00 41.31 C ATOM 498 CD GLU A 32 -0.009 -15.150 -7.102 1.00 55.44 C ATOM 499 OE1 GLU A 32 1.021 -14.708 -7.656 1.00 34.42 O ATOM 500 OE2 GLU A 32 -0.005 -16.228 -6.465 1.00 41.32 O ATOM 0 H GLU A 32 -3.449 -13.951 -5.460 1.00 55.23 H new ATOM 0 HA GLU A 32 -2.382 -11.327 -5.654 1.00 71.14 H new ATOM 0 HB2 GLU A 32 -0.429 -12.458 -6.569 1.00 71.11 H new ATOM 0 HB3 GLU A 32 -1.066 -13.413 -5.245 1.00 71.11 H new ATOM 0 HG2 GLU A 32 -2.149 -14.956 -6.898 1.00 41.31 H new ATOM 0 HG3 GLU A 32 -1.472 -14.012 -8.209 1.00 41.31 H new ATOM 507 N ASP A 33 -3.911 -12.348 -8.296 1.00 1.20 N ATOM 508 CA ASP A 33 -4.447 -11.953 -9.612 1.00 43.31 C ATOM 509 C ASP A 33 -5.213 -10.600 -9.552 1.00 75.13 C ATOM 510 O ASP A 33 -5.287 -9.875 -10.551 1.00 12.34 O ATOM 511 CB ASP A 33 -5.388 -13.069 -10.123 1.00 14.10 C ATOM 512 CG ASP A 33 -4.702 -14.444 -10.156 1.00 62.23 C ATOM 513 OD1 ASP A 33 -4.098 -14.799 -11.188 1.00 10.32 O ATOM 514 OD2 ASP A 33 -4.761 -15.171 -9.134 1.00 11.23 O ATOM 0 H ASP A 33 -4.396 -13.146 -7.886 1.00 1.20 H new ATOM 0 HA ASP A 33 -3.608 -11.817 -10.295 1.00 43.31 H new ATOM 0 HB2 ASP A 33 -6.268 -13.120 -9.482 1.00 14.10 H new ATOM 0 HB3 ASP A 33 -5.737 -12.816 -11.124 1.00 14.10 H new ATOM 519 N ALA A 34 -5.784 -10.287 -8.371 1.00 74.14 N ATOM 520 CA ALA A 34 -6.573 -9.056 -8.141 1.00 54.34 C ATOM 521 C ALA A 34 -5.645 -7.847 -7.829 1.00 72.14 C ATOM 522 O ALA A 34 -4.876 -7.893 -6.856 1.00 41.20 O ATOM 523 CB ALA A 34 -7.573 -9.281 -6.989 1.00 13.25 C ATOM 0 H ALA A 34 -5.711 -10.882 -7.546 1.00 74.14 H new ATOM 0 HA ALA A 34 -7.126 -8.826 -9.052 1.00 54.34 H new ATOM 0 HB1 ALA A 34 -8.150 -8.371 -6.825 1.00 13.25 H new ATOM 0 HB2 ALA A 34 -8.248 -10.097 -7.247 1.00 13.25 H new ATOM 0 HB3 ALA A 34 -7.029 -9.534 -6.079 1.00 13.25 H new ATOM 529 N PRO A 35 -5.668 -6.755 -8.665 1.00 11.43 N ATOM 530 CA PRO A 35 -4.902 -5.510 -8.385 1.00 53.21 C ATOM 531 C PRO A 35 -5.549 -4.641 -7.274 1.00 23.22 C ATOM 532 O PRO A 35 -6.655 -4.922 -6.797 1.00 65.44 O ATOM 533 CB PRO A 35 -4.922 -4.786 -9.753 1.00 53.14 C ATOM 534 CG PRO A 35 -6.223 -5.206 -10.364 1.00 31.13 C ATOM 535 CD PRO A 35 -6.402 -6.656 -9.960 1.00 0.03 C ATOM 0 HA PRO A 35 -3.900 -5.713 -8.007 1.00 53.21 H new ATOM 0 HB2 PRO A 35 -4.868 -3.704 -9.633 1.00 53.14 H new ATOM 0 HB3 PRO A 35 -4.076 -5.081 -10.373 1.00 53.14 H new ATOM 0 HG2 PRO A 35 -7.046 -4.591 -9.999 1.00 31.13 H new ATOM 0 HG3 PRO A 35 -6.201 -5.099 -11.449 1.00 31.13 H new ATOM 0 HD2 PRO A 35 -7.455 -6.912 -9.844 1.00 0.03 H new ATOM 0 HD3 PRO A 35 -5.989 -7.334 -10.707 1.00 0.03 H new ATOM 543 N VAL A 36 -4.840 -3.579 -6.870 1.00 62.43 N ATOM 544 CA VAL A 36 -5.315 -2.639 -5.835 1.00 51.12 C ATOM 545 C VAL A 36 -5.590 -1.239 -6.418 1.00 2.25 C ATOM 546 O VAL A 36 -5.006 -0.828 -7.427 1.00 52.55 O ATOM 547 CB VAL A 36 -4.300 -2.517 -4.644 1.00 22.31 C ATOM 548 CG1 VAL A 36 -4.184 -3.851 -3.869 1.00 12.11 C ATOM 549 CG2 VAL A 36 -2.917 -2.030 -5.140 1.00 70.33 C ATOM 0 H VAL A 36 -3.922 -3.344 -7.248 1.00 62.43 H new ATOM 0 HA VAL A 36 -6.250 -3.052 -5.456 1.00 51.12 H new ATOM 0 HB VAL A 36 -4.685 -1.768 -3.952 1.00 22.31 H new ATOM 0 HG11 VAL A 36 -3.474 -3.735 -3.050 1.00 12.11 H new ATOM 0 HG12 VAL A 36 -5.160 -4.124 -3.467 1.00 12.11 H new ATOM 0 HG13 VAL A 36 -3.837 -4.634 -4.543 1.00 12.11 H new ATOM 0 HG21 VAL A 36 -2.233 -1.954 -4.295 1.00 70.33 H new ATOM 0 HG22 VAL A 36 -2.520 -2.740 -5.865 1.00 70.33 H new ATOM 0 HG23 VAL A 36 -3.023 -1.052 -5.610 1.00 70.33 H new ATOM 559 N ARG A 37 -6.510 -0.538 -5.753 1.00 4.43 N ATOM 560 CA ARG A 37 -6.869 0.855 -6.039 1.00 4.25 C ATOM 561 C ARG A 37 -6.304 1.724 -4.894 1.00 14.24 C ATOM 562 O ARG A 37 -6.793 1.649 -3.760 1.00 43.32 O ATOM 563 CB ARG A 37 -8.425 1.023 -6.142 1.00 34.05 C ATOM 564 CG ARG A 37 -9.127 0.296 -7.329 1.00 63.14 C ATOM 565 CD ARG A 37 -9.180 -1.239 -7.176 1.00 44.52 C ATOM 566 NE ARG A 37 -9.905 -1.899 -8.275 1.00 53.32 N ATOM 567 CZ ARG A 37 -9.850 -3.183 -8.564 1.00 14.43 C ATOM 568 NH1 ARG A 37 -9.071 -3.991 -7.907 1.00 11.34 N ATOM 569 NH2 ARG A 37 -10.579 -3.649 -9.520 1.00 14.15 N ATOM 0 H ARG A 37 -7.042 -0.934 -4.978 1.00 4.43 H new ATOM 0 HA ARG A 37 -6.449 1.163 -6.997 1.00 4.25 H new ATOM 0 HB2 ARG A 37 -8.869 0.666 -5.213 1.00 34.05 H new ATOM 0 HB3 ARG A 37 -8.649 2.087 -6.214 1.00 34.05 H new ATOM 0 HG2 ARG A 37 -10.143 0.677 -7.426 1.00 63.14 H new ATOM 0 HG3 ARG A 37 -8.604 0.542 -8.253 1.00 63.14 H new ATOM 0 HD2 ARG A 37 -8.164 -1.630 -7.131 1.00 44.52 H new ATOM 0 HD3 ARG A 37 -9.659 -1.489 -6.229 1.00 44.52 H new ATOM 0 HE ARG A 37 -10.499 -1.313 -8.861 1.00 53.32 H new ATOM 0 HH11 ARG A 37 -8.487 -3.634 -7.151 1.00 11.34 H new ATOM 0 HH12 ARG A 37 -9.044 -4.982 -8.148 1.00 11.34 H new ATOM 0 HH21 ARG A 37 -11.191 -3.025 -10.045 1.00 14.15 H new ATOM 0 HH22 ARG A 37 -10.543 -4.642 -9.751 1.00 14.15 H new ATOM 583 N TRP A 38 -5.260 2.519 -5.180 1.00 52.33 N ATOM 584 CA TRP A 38 -4.611 3.369 -4.159 1.00 44.25 C ATOM 585 C TRP A 38 -5.361 4.705 -4.018 1.00 63.11 C ATOM 586 O TRP A 38 -5.706 5.352 -5.010 1.00 14.44 O ATOM 587 CB TRP A 38 -3.112 3.616 -4.495 1.00 72.00 C ATOM 588 CG TRP A 38 -2.218 2.421 -4.243 1.00 32.51 C ATOM 589 CD1 TRP A 38 -1.708 1.549 -5.164 1.00 43.10 C ATOM 590 CD2 TRP A 38 -1.741 1.970 -2.962 1.00 53.32 C ATOM 591 NE1 TRP A 38 -0.936 0.601 -4.537 1.00 14.42 N ATOM 592 CE2 TRP A 38 -0.948 0.834 -3.187 1.00 62.43 C ATOM 593 CE3 TRP A 38 -1.906 2.428 -1.647 1.00 53.03 C ATOM 594 CZ2 TRP A 38 -0.325 0.142 -2.150 1.00 40.24 C ATOM 595 CZ3 TRP A 38 -1.285 1.742 -0.619 1.00 1.13 C ATOM 596 CH2 TRP A 38 -0.502 0.608 -0.875 1.00 35.12 C ATOM 0 H TRP A 38 -4.845 2.593 -6.109 1.00 52.33 H new ATOM 0 HA TRP A 38 -4.654 2.841 -3.207 1.00 44.25 H new ATOM 0 HB2 TRP A 38 -3.028 3.905 -5.543 1.00 72.00 H new ATOM 0 HB3 TRP A 38 -2.752 4.457 -3.903 1.00 72.00 H new ATOM 0 HD1 TRP A 38 -1.886 1.598 -6.228 1.00 43.10 H new ATOM 0 HE1 TRP A 38 -0.434 -0.155 -5.002 1.00 14.42 H new ATOM 0 HE3 TRP A 38 -2.507 3.301 -1.441 1.00 53.03 H new ATOM 0 HZ2 TRP A 38 0.277 -0.733 -2.346 1.00 40.24 H new ATOM 0 HZ3 TRP A 38 -1.405 2.086 0.398 1.00 1.13 H new ATOM 0 HH2 TRP A 38 -0.030 0.093 -0.052 1.00 35.12 H new ATOM 607 N TYR A 39 -5.636 5.077 -2.761 1.00 64.14 N ATOM 608 CA TYR A 39 -6.351 6.318 -2.395 1.00 35.04 C ATOM 609 C TYR A 39 -5.539 7.136 -1.386 1.00 41.02 C ATOM 610 O TYR A 39 -4.610 6.634 -0.750 1.00 31.34 O ATOM 611 CB TYR A 39 -7.752 6.012 -1.784 1.00 3.34 C ATOM 612 CG TYR A 39 -8.743 5.369 -2.756 1.00 51.35 C ATOM 613 CD1 TYR A 39 -9.512 6.153 -3.618 1.00 15.33 C ATOM 614 CD2 TYR A 39 -8.901 3.983 -2.827 1.00 41.22 C ATOM 615 CE1 TYR A 39 -10.400 5.578 -4.505 1.00 40.24 C ATOM 616 CE2 TYR A 39 -9.789 3.408 -3.716 1.00 43.22 C ATOM 617 CZ TYR A 39 -10.534 4.209 -4.552 1.00 43.25 C ATOM 618 OH TYR A 39 -11.419 3.640 -5.443 1.00 50.41 O ATOM 0 H TYR A 39 -5.365 4.518 -1.952 1.00 64.14 H new ATOM 0 HA TYR A 39 -6.482 6.891 -3.313 1.00 35.04 H new ATOM 0 HB2 TYR A 39 -7.624 5.352 -0.926 1.00 3.34 H new ATOM 0 HB3 TYR A 39 -8.181 6.941 -1.409 1.00 3.34 H new ATOM 0 HD1 TYR A 39 -9.410 7.228 -3.590 1.00 15.33 H new ATOM 0 HD2 TYR A 39 -8.318 3.349 -2.175 1.00 41.22 H new ATOM 0 HE1 TYR A 39 -10.989 6.202 -5.161 1.00 40.24 H new ATOM 0 HE2 TYR A 39 -9.898 2.334 -3.755 1.00 43.22 H new ATOM 0 HH TYR A 39 -11.394 2.665 -5.351 1.00 50.41 H new ATOM 628 N LYS A 40 -5.924 8.401 -1.274 1.00 2.32 N ATOM 629 CA LYS A 40 -5.441 9.336 -0.251 1.00 45.24 C ATOM 630 C LYS A 40 -6.628 10.247 0.149 1.00 61.12 C ATOM 631 O LYS A 40 -7.686 10.201 -0.506 1.00 75.14 O ATOM 632 CB LYS A 40 -4.235 10.143 -0.816 1.00 13.43 C ATOM 633 CG LYS A 40 -3.484 11.042 0.192 1.00 72.15 C ATOM 634 CD LYS A 40 -2.181 11.640 -0.400 1.00 52.53 C ATOM 635 CE LYS A 40 -2.410 12.565 -1.606 1.00 35.10 C ATOM 636 NZ LYS A 40 -3.151 13.798 -1.240 1.00 5.23 N ATOM 0 H LYS A 40 -6.601 8.823 -1.909 1.00 2.32 H new ATOM 0 HA LYS A 40 -5.085 8.815 0.638 1.00 45.24 H new ATOM 0 HB2 LYS A 40 -3.522 9.439 -1.244 1.00 13.43 H new ATOM 0 HB3 LYS A 40 -4.594 10.769 -1.633 1.00 13.43 H new ATOM 0 HG2 LYS A 40 -4.140 11.852 0.510 1.00 72.15 H new ATOM 0 HG3 LYS A 40 -3.242 10.461 1.082 1.00 72.15 H new ATOM 0 HD2 LYS A 40 -1.662 12.198 0.380 1.00 52.53 H new ATOM 0 HD3 LYS A 40 -1.523 10.825 -0.700 1.00 52.53 H new ATOM 0 HE2 LYS A 40 -1.448 12.838 -2.039 1.00 35.10 H new ATOM 0 HE3 LYS A 40 -2.964 12.026 -2.374 1.00 35.10 H new ATOM 0 HZ1 LYS A 40 -3.399 14.323 -2.103 1.00 5.23 H new ATOM 0 HZ2 LYS A 40 -4.020 13.542 -0.728 1.00 5.23 H new ATOM 0 HZ3 LYS A 40 -2.554 14.394 -0.632 1.00 5.23 H new ATOM 650 N ASP A 41 -6.472 11.030 1.235 1.00 12.24 N ATOM 651 CA ASP A 41 -7.501 11.984 1.705 1.00 1.15 C ATOM 652 C ASP A 41 -8.033 12.898 0.555 1.00 51.30 C ATOM 653 O ASP A 41 -7.354 13.832 0.113 1.00 22.12 O ATOM 654 CB ASP A 41 -6.924 12.820 2.873 1.00 11.15 C ATOM 655 CG ASP A 41 -7.895 13.882 3.414 1.00 72.42 C ATOM 656 OD1 ASP A 41 -8.824 13.530 4.171 1.00 72.31 O ATOM 657 OD2 ASP A 41 -7.734 15.075 3.085 1.00 74.34 O ATOM 0 H ASP A 41 -5.631 11.020 1.812 1.00 12.24 H new ATOM 0 HA ASP A 41 -8.361 11.416 2.059 1.00 1.15 H new ATOM 0 HB2 ASP A 41 -6.645 12.149 3.685 1.00 11.15 H new ATOM 0 HB3 ASP A 41 -6.011 13.312 2.539 1.00 11.15 H new ATOM 662 N GLY A 42 -9.237 12.547 0.051 1.00 62.31 N ATOM 663 CA GLY A 42 -9.946 13.330 -0.981 1.00 45.43 C ATOM 664 C GLY A 42 -9.686 12.901 -2.433 1.00 71.24 C ATOM 665 O GLY A 42 -10.572 13.038 -3.290 1.00 12.21 O ATOM 0 H GLY A 42 -9.743 11.713 0.349 1.00 62.31 H new ATOM 0 HA2 GLY A 42 -11.017 13.266 -0.788 1.00 45.43 H new ATOM 0 HA3 GLY A 42 -9.665 14.378 -0.874 1.00 45.43 H new ATOM 669 N GLN A 43 -8.471 12.391 -2.726 1.00 33.10 N ATOM 670 CA GLN A 43 -8.025 12.071 -4.114 1.00 43.33 C ATOM 671 C GLN A 43 -7.288 10.713 -4.156 1.00 52.33 C ATOM 672 O GLN A 43 -6.475 10.424 -3.279 1.00 50.11 O ATOM 673 CB GLN A 43 -7.074 13.183 -4.658 1.00 64.13 C ATOM 674 CG GLN A 43 -7.714 14.580 -4.823 1.00 33.23 C ATOM 675 CD GLN A 43 -6.746 15.640 -5.363 1.00 51.52 C ATOM 676 OE1 GLN A 43 -5.540 15.581 -5.137 1.00 41.42 O ATOM 677 NE2 GLN A 43 -7.259 16.622 -6.078 1.00 23.42 N ATOM 0 H GLN A 43 -7.768 12.187 -2.015 1.00 33.10 H new ATOM 0 HA GLN A 43 -8.915 12.017 -4.741 1.00 43.33 H new ATOM 0 HB2 GLN A 43 -6.222 13.270 -3.984 1.00 64.13 H new ATOM 0 HB3 GLN A 43 -6.685 12.864 -5.625 1.00 64.13 H new ATOM 0 HG2 GLN A 43 -8.567 14.502 -5.497 1.00 33.23 H new ATOM 0 HG3 GLN A 43 -8.099 14.910 -3.858 1.00 33.23 H new ATOM 0 HE21 GLN A 43 -8.263 16.654 -6.255 1.00 23.42 H new ATOM 0 HE22 GLN A 43 -6.652 17.350 -6.454 1.00 23.42 H new ATOM 686 N GLU A 44 -7.570 9.895 -5.188 1.00 61.13 N ATOM 687 CA GLU A 44 -6.849 8.624 -5.421 1.00 53.43 C ATOM 688 C GLU A 44 -5.406 8.869 -5.938 1.00 4.42 C ATOM 689 O GLU A 44 -5.123 9.888 -6.581 1.00 14.50 O ATOM 690 CB GLU A 44 -7.641 7.723 -6.404 1.00 51.05 C ATOM 691 CG GLU A 44 -7.806 8.291 -7.826 1.00 71.32 C ATOM 692 CD GLU A 44 -8.694 7.417 -8.726 1.00 12.40 C ATOM 693 OE1 GLU A 44 -8.249 6.318 -9.130 1.00 15.05 O ATOM 694 OE2 GLU A 44 -9.850 7.808 -9.011 1.00 23.13 O ATOM 0 H GLU A 44 -8.295 10.091 -5.878 1.00 61.13 H new ATOM 0 HA GLU A 44 -6.768 8.109 -4.464 1.00 53.43 H new ATOM 0 HB2 GLU A 44 -7.139 6.758 -6.472 1.00 51.05 H new ATOM 0 HB3 GLU A 44 -8.631 7.539 -5.986 1.00 51.05 H new ATOM 0 HG2 GLU A 44 -8.235 9.291 -7.764 1.00 71.32 H new ATOM 0 HG3 GLU A 44 -6.823 8.394 -8.286 1.00 71.32 H new ATOM 701 N VAL A 45 -4.497 7.924 -5.645 1.00 73.15 N ATOM 702 CA VAL A 45 -3.062 8.053 -5.981 1.00 20.00 C ATOM 703 C VAL A 45 -2.711 7.248 -7.259 1.00 11.53 C ATOM 704 O VAL A 45 -2.588 6.018 -7.226 1.00 55.03 O ATOM 705 CB VAL A 45 -2.141 7.596 -4.786 1.00 64.31 C ATOM 706 CG1 VAL A 45 -0.663 7.984 -5.035 1.00 2.54 C ATOM 707 CG2 VAL A 45 -2.641 8.166 -3.441 1.00 30.54 C ATOM 0 H VAL A 45 -4.731 7.052 -5.171 1.00 73.15 H new ATOM 0 HA VAL A 45 -2.874 9.110 -6.171 1.00 20.00 H new ATOM 0 HB VAL A 45 -2.197 6.509 -4.729 1.00 64.31 H new ATOM 0 HG11 VAL A 45 -0.054 7.655 -4.193 1.00 2.54 H new ATOM 0 HG12 VAL A 45 -0.310 7.504 -5.948 1.00 2.54 H new ATOM 0 HG13 VAL A 45 -0.584 9.066 -5.140 1.00 2.54 H new ATOM 0 HG21 VAL A 45 -1.984 7.832 -2.638 1.00 30.54 H new ATOM 0 HG22 VAL A 45 -2.638 9.255 -3.484 1.00 30.54 H new ATOM 0 HG23 VAL A 45 -3.655 7.814 -3.251 1.00 30.54 H new ATOM 717 N GLU A 46 -2.577 7.968 -8.383 1.00 63.21 N ATOM 718 CA GLU A 46 -2.113 7.410 -9.681 1.00 73.55 C ATOM 719 C GLU A 46 -0.628 7.799 -9.917 1.00 52.32 C ATOM 720 O GLU A 46 -0.104 8.667 -9.210 1.00 21.14 O ATOM 721 CB GLU A 46 -3.005 7.964 -10.825 1.00 4.04 C ATOM 722 CG GLU A 46 -2.931 9.501 -11.003 1.00 62.52 C ATOM 723 CD GLU A 46 -3.885 10.038 -12.079 1.00 61.14 C ATOM 724 OE1 GLU A 46 -3.629 9.803 -13.281 1.00 3.31 O ATOM 725 OE2 GLU A 46 -4.879 10.711 -11.730 1.00 31.14 O ATOM 0 H GLU A 46 -2.788 8.965 -8.426 1.00 63.21 H new ATOM 0 HA GLU A 46 -2.190 6.323 -9.663 1.00 73.55 H new ATOM 0 HB2 GLU A 46 -2.713 7.487 -11.761 1.00 4.04 H new ATOM 0 HB3 GLU A 46 -4.040 7.682 -10.632 1.00 4.04 H new ATOM 0 HG2 GLU A 46 -3.162 9.981 -10.052 1.00 62.52 H new ATOM 0 HG3 GLU A 46 -1.910 9.780 -11.262 1.00 62.52 H new ATOM 732 N GLU A 47 0.037 7.179 -10.918 1.00 63.15 N ATOM 733 CA GLU A 47 1.451 7.498 -11.259 1.00 35.05 C ATOM 734 C GLU A 47 1.575 8.900 -11.921 1.00 30.45 C ATOM 735 O GLU A 47 1.530 9.037 -13.148 1.00 44.11 O ATOM 736 CB GLU A 47 2.085 6.407 -12.175 1.00 1.54 C ATOM 737 CG GLU A 47 2.191 5.005 -11.535 1.00 10.40 C ATOM 738 CD GLU A 47 2.988 4.001 -12.390 1.00 32.54 C ATOM 739 OE1 GLU A 47 2.479 3.579 -13.450 1.00 34.12 O ATOM 740 OE2 GLU A 47 4.128 3.643 -12.017 1.00 13.32 O ATOM 0 H GLU A 47 -0.378 6.456 -11.505 1.00 63.15 H new ATOM 0 HA GLU A 47 2.005 7.513 -10.321 1.00 35.05 H new ATOM 0 HB2 GLU A 47 1.494 6.331 -13.088 1.00 1.54 H new ATOM 0 HB3 GLU A 47 3.083 6.734 -12.468 1.00 1.54 H new ATOM 0 HG2 GLU A 47 2.665 5.095 -10.557 1.00 10.40 H new ATOM 0 HG3 GLU A 47 1.188 4.613 -11.368 1.00 10.40 H new ATOM 747 N SER A 48 1.684 9.934 -11.071 1.00 61.24 N ATOM 748 CA SER A 48 1.910 11.340 -11.487 1.00 10.52 C ATOM 749 C SER A 48 3.434 11.671 -11.438 1.00 61.42 C ATOM 750 O SER A 48 4.258 10.756 -11.320 1.00 44.11 O ATOM 751 CB SER A 48 1.074 12.273 -10.570 1.00 65.44 C ATOM 752 OG SER A 48 1.118 13.624 -11.005 1.00 41.53 O ATOM 0 H SER A 48 1.618 9.822 -10.059 1.00 61.24 H new ATOM 0 HA SER A 48 1.584 11.493 -12.516 1.00 10.52 H new ATOM 0 HB2 SER A 48 0.039 11.931 -10.552 1.00 65.44 H new ATOM 0 HB3 SER A 48 1.449 12.208 -9.549 1.00 65.44 H new ATOM 0 HG SER A 48 0.579 14.179 -10.404 1.00 41.53 H new ATOM 758 N ASP A 49 3.809 12.965 -11.532 1.00 14.22 N ATOM 759 CA ASP A 49 5.233 13.404 -11.569 1.00 24.22 C ATOM 760 C ASP A 49 6.028 12.973 -10.297 1.00 44.42 C ATOM 761 O ASP A 49 7.211 12.615 -10.382 1.00 15.51 O ATOM 762 CB ASP A 49 5.291 14.942 -11.759 1.00 54.41 C ATOM 763 CG ASP A 49 6.716 15.483 -11.987 1.00 2.55 C ATOM 764 OD1 ASP A 49 7.196 15.451 -13.141 1.00 24.53 O ATOM 765 OD2 ASP A 49 7.364 15.938 -11.020 1.00 34.23 O ATOM 0 H ASP A 49 3.143 13.735 -11.584 1.00 14.22 H new ATOM 0 HA ASP A 49 5.714 12.909 -12.413 1.00 24.22 H new ATOM 0 HB2 ASP A 49 4.666 15.218 -12.608 1.00 54.41 H new ATOM 0 HB3 ASP A 49 4.865 15.425 -10.879 1.00 54.41 H new ATOM 770 N PHE A 50 5.366 13.013 -9.126 1.00 14.30 N ATOM 771 CA PHE A 50 5.981 12.634 -7.824 1.00 41.45 C ATOM 772 C PHE A 50 5.540 11.224 -7.355 1.00 42.12 C ATOM 773 O PHE A 50 5.812 10.858 -6.220 1.00 51.33 O ATOM 774 CB PHE A 50 5.620 13.680 -6.723 1.00 3.35 C ATOM 775 CG PHE A 50 6.172 15.094 -6.940 1.00 0.34 C ATOM 776 CD1 PHE A 50 5.602 15.955 -7.879 1.00 73.31 C ATOM 777 CD2 PHE A 50 7.253 15.569 -6.189 1.00 40.52 C ATOM 778 CE1 PHE A 50 6.092 17.236 -8.062 1.00 70.44 C ATOM 779 CE2 PHE A 50 7.738 16.850 -6.374 1.00 62.02 C ATOM 780 CZ PHE A 50 7.158 17.683 -7.309 1.00 11.32 C ATOM 0 H PHE A 50 4.392 13.307 -9.047 1.00 14.30 H new ATOM 0 HA PHE A 50 7.060 12.617 -7.979 1.00 41.45 H new ATOM 0 HB2 PHE A 50 4.534 13.742 -6.649 1.00 3.35 H new ATOM 0 HB3 PHE A 50 5.985 13.311 -5.764 1.00 3.35 H new ATOM 0 HD1 PHE A 50 4.765 15.616 -8.472 1.00 73.31 H new ATOM 0 HD2 PHE A 50 7.715 14.926 -5.455 1.00 40.52 H new ATOM 0 HE1 PHE A 50 5.639 17.887 -8.795 1.00 70.44 H new ATOM 0 HE2 PHE A 50 8.573 17.200 -5.785 1.00 62.02 H new ATOM 0 HZ PHE A 50 7.538 18.684 -7.451 1.00 11.32 H new ATOM 790 N VAL A 51 4.865 10.421 -8.215 1.00 11.12 N ATOM 791 CA VAL A 51 4.332 9.085 -7.801 1.00 60.23 C ATOM 792 C VAL A 51 4.748 7.955 -8.777 1.00 51.40 C ATOM 793 O VAL A 51 4.655 8.117 -9.993 1.00 31.25 O ATOM 794 CB VAL A 51 2.757 9.073 -7.702 1.00 53.53 C ATOM 795 CG1 VAL A 51 2.249 7.738 -7.096 1.00 12.34 C ATOM 796 CG2 VAL A 51 2.208 10.290 -6.915 1.00 22.31 C ATOM 0 H VAL A 51 4.675 10.664 -9.187 1.00 11.12 H new ATOM 0 HA VAL A 51 4.767 8.903 -6.818 1.00 60.23 H new ATOM 0 HB VAL A 51 2.372 9.155 -8.718 1.00 53.53 H new ATOM 0 HG11 VAL A 51 1.161 7.755 -7.039 1.00 12.34 H new ATOM 0 HG12 VAL A 51 2.566 6.908 -7.727 1.00 12.34 H new ATOM 0 HG13 VAL A 51 2.663 7.612 -6.096 1.00 12.34 H new ATOM 0 HG21 VAL A 51 1.120 10.236 -6.875 1.00 22.31 H new ATOM 0 HG22 VAL A 51 2.610 10.279 -5.902 1.00 22.31 H new ATOM 0 HG23 VAL A 51 2.508 11.211 -7.414 1.00 22.31 H new ATOM 806 N VAL A 52 5.188 6.804 -8.219 1.00 32.11 N ATOM 807 CA VAL A 52 5.360 5.529 -8.968 1.00 22.31 C ATOM 808 C VAL A 52 4.708 4.361 -8.173 1.00 1.32 C ATOM 809 O VAL A 52 4.742 4.348 -6.938 1.00 14.33 O ATOM 810 CB VAL A 52 6.878 5.209 -9.283 1.00 21.24 C ATOM 811 CG1 VAL A 52 7.471 6.234 -10.281 1.00 21.33 C ATOM 812 CG2 VAL A 52 7.740 5.145 -7.994 1.00 2.14 C ATOM 0 H VAL A 52 5.436 6.729 -7.232 1.00 32.11 H new ATOM 0 HA VAL A 52 4.859 5.643 -9.930 1.00 22.31 H new ATOM 0 HB VAL A 52 6.903 4.222 -9.745 1.00 21.24 H new ATOM 0 HG11 VAL A 52 8.515 5.988 -10.478 1.00 21.33 H new ATOM 0 HG12 VAL A 52 6.908 6.201 -11.214 1.00 21.33 H new ATOM 0 HG13 VAL A 52 7.408 7.235 -9.855 1.00 21.33 H new ATOM 0 HG21 VAL A 52 8.774 4.923 -8.258 1.00 2.14 H new ATOM 0 HG22 VAL A 52 7.695 6.104 -7.478 1.00 2.14 H new ATOM 0 HG23 VAL A 52 7.357 4.363 -7.339 1.00 2.14 H new ATOM 822 N LEU A 53 4.087 3.399 -8.883 1.00 11.32 N ATOM 823 CA LEU A 53 3.355 2.263 -8.255 1.00 23.42 C ATOM 824 C LEU A 53 3.976 0.909 -8.675 1.00 43.24 C ATOM 825 O LEU A 53 4.085 0.612 -9.866 1.00 11.31 O ATOM 826 CB LEU A 53 1.849 2.306 -8.653 1.00 71.41 C ATOM 827 CG LEU A 53 1.064 3.590 -8.225 1.00 72.45 C ATOM 828 CD1 LEU A 53 -0.369 3.592 -8.798 1.00 42.24 C ATOM 829 CD2 LEU A 53 1.047 3.760 -6.688 1.00 73.21 C ATOM 0 H LEU A 53 4.074 3.380 -9.903 1.00 11.32 H new ATOM 0 HA LEU A 53 3.439 2.360 -7.173 1.00 23.42 H new ATOM 0 HB2 LEU A 53 1.777 2.204 -9.736 1.00 71.41 H new ATOM 0 HB3 LEU A 53 1.353 1.439 -8.217 1.00 71.41 H new ATOM 0 HG LEU A 53 1.592 4.446 -8.646 1.00 72.45 H new ATOM 0 HD11 LEU A 53 -0.886 4.498 -8.481 1.00 42.24 H new ATOM 0 HD12 LEU A 53 -0.326 3.561 -9.887 1.00 42.24 H new ATOM 0 HD13 LEU A 53 -0.909 2.719 -8.431 1.00 42.24 H new ATOM 0 HD21 LEU A 53 0.493 4.662 -6.428 1.00 73.21 H new ATOM 0 HD22 LEU A 53 0.566 2.895 -6.232 1.00 73.21 H new ATOM 0 HD23 LEU A 53 2.070 3.843 -6.320 1.00 73.21 H new ATOM 841 N GLU A 54 4.372 0.089 -7.683 1.00 21.12 N ATOM 842 CA GLU A 54 5.009 -1.228 -7.910 1.00 72.34 C ATOM 843 C GLU A 54 4.044 -2.389 -7.548 1.00 62.31 C ATOM 844 O GLU A 54 3.640 -2.530 -6.396 1.00 3.52 O ATOM 845 CB GLU A 54 6.321 -1.308 -7.078 1.00 13.31 C ATOM 846 CG GLU A 54 7.409 -0.283 -7.482 1.00 33.23 C ATOM 847 CD GLU A 54 7.963 -0.504 -8.905 1.00 44.24 C ATOM 848 OE1 GLU A 54 8.939 -1.278 -9.059 1.00 41.21 O ATOM 849 OE2 GLU A 54 7.423 0.079 -9.873 1.00 61.11 O ATOM 0 H GLU A 54 4.260 0.320 -6.696 1.00 21.12 H new ATOM 0 HA GLU A 54 5.248 -1.332 -8.968 1.00 72.34 H new ATOM 0 HB2 GLU A 54 6.077 -1.162 -6.026 1.00 13.31 H new ATOM 0 HB3 GLU A 54 6.734 -2.312 -7.173 1.00 13.31 H new ATOM 0 HG2 GLU A 54 6.993 0.722 -7.414 1.00 33.23 H new ATOM 0 HG3 GLU A 54 8.231 -0.337 -6.768 1.00 33.23 H new ATOM 856 N ASN A 55 3.654 -3.202 -8.550 1.00 25.51 N ATOM 857 CA ASN A 55 2.778 -4.387 -8.348 1.00 4.43 C ATOM 858 C ASN A 55 3.497 -5.674 -8.812 1.00 14.13 C ATOM 859 O ASN A 55 3.831 -5.816 -9.994 1.00 53.24 O ATOM 860 CB ASN A 55 1.431 -4.203 -9.101 1.00 33.50 C ATOM 861 CG ASN A 55 0.578 -3.022 -8.597 1.00 3.31 C ATOM 862 OD1 ASN A 55 0.657 -2.691 -7.312 1.00 71.21 O flip ATOM 863 ND2 ASN A 55 -0.171 -2.416 -9.355 1.00 33.23 N flip ATOM 0 H ASN A 55 3.933 -3.062 -9.521 1.00 25.51 H new ATOM 0 HA ASN A 55 2.561 -4.482 -7.284 1.00 4.43 H new ATOM 0 HB2 ASN A 55 1.638 -4.060 -10.162 1.00 33.50 H new ATOM 0 HB3 ASN A 55 0.850 -5.120 -9.011 1.00 33.50 H new ATOM 0 HD21 ASN A 55 -0.223 -2.679 -10.339 1.00 33.23 H new ATOM 0 HD22 ASN A 55 -0.742 -1.648 -9.002 1.00 33.23 H new ATOM 870 N GLU A 56 3.723 -6.608 -7.865 1.00 41.52 N ATOM 871 CA GLU A 56 4.475 -7.858 -8.108 1.00 11.02 C ATOM 872 C GLU A 56 3.832 -9.028 -7.323 1.00 62.23 C ATOM 873 O GLU A 56 4.088 -9.205 -6.122 1.00 4.30 O ATOM 874 CB GLU A 56 5.968 -7.659 -7.704 1.00 13.51 C ATOM 875 CG GLU A 56 6.892 -8.856 -8.011 1.00 61.24 C ATOM 876 CD GLU A 56 8.351 -8.589 -7.602 1.00 13.35 C ATOM 877 OE1 GLU A 56 9.120 -8.032 -8.420 1.00 54.14 O ATOM 878 OE2 GLU A 56 8.728 -8.906 -6.454 1.00 63.22 O ATOM 0 H GLU A 56 3.388 -6.516 -6.906 1.00 41.52 H new ATOM 0 HA GLU A 56 4.437 -8.106 -9.169 1.00 11.02 H new ATOM 0 HB2 GLU A 56 6.354 -6.780 -8.220 1.00 13.51 H new ATOM 0 HB3 GLU A 56 6.015 -7.448 -6.636 1.00 13.51 H new ATOM 0 HG2 GLU A 56 6.526 -9.738 -7.486 1.00 61.24 H new ATOM 0 HG3 GLU A 56 6.851 -9.079 -9.077 1.00 61.24 H new ATOM 885 N GLY A 57 2.967 -9.799 -8.016 1.00 23.22 N ATOM 886 CA GLY A 57 2.230 -10.917 -7.409 1.00 20.35 C ATOM 887 C GLY A 57 1.257 -10.466 -6.307 1.00 53.32 C ATOM 888 O GLY A 57 0.430 -9.577 -6.549 1.00 21.22 O ATOM 0 H GLY A 57 2.764 -9.661 -9.006 1.00 23.22 H new ATOM 0 HA2 GLY A 57 1.673 -11.442 -8.185 1.00 20.35 H new ATOM 0 HA3 GLY A 57 2.941 -11.629 -6.990 1.00 20.35 H new ATOM 892 N PRO A 58 1.306 -11.075 -5.074 1.00 14.32 N ATOM 893 CA PRO A 58 0.495 -10.600 -3.924 1.00 20.01 C ATOM 894 C PRO A 58 0.991 -9.243 -3.358 1.00 71.43 C ATOM 895 O PRO A 58 0.217 -8.511 -2.738 1.00 20.20 O ATOM 896 CB PRO A 58 0.638 -11.744 -2.887 1.00 61.42 C ATOM 897 CG PRO A 58 1.949 -12.394 -3.217 1.00 52.54 C ATOM 898 CD PRO A 58 2.109 -12.281 -4.721 1.00 32.25 C ATOM 0 HA PRO A 58 -0.540 -10.402 -4.204 1.00 20.01 H new ATOM 0 HB2 PRO A 58 0.633 -11.358 -1.868 1.00 61.42 H new ATOM 0 HB3 PRO A 58 -0.186 -12.453 -2.963 1.00 61.42 H new ATOM 0 HG2 PRO A 58 2.771 -11.899 -2.700 1.00 52.54 H new ATOM 0 HG3 PRO A 58 1.957 -13.437 -2.902 1.00 52.54 H new ATOM 0 HD2 PRO A 58 3.155 -12.162 -5.004 1.00 32.25 H new ATOM 0 HD3 PRO A 58 1.740 -13.171 -5.231 1.00 32.25 H new ATOM 906 N HIS A 59 2.282 -8.910 -3.595 1.00 53.44 N ATOM 907 CA HIS A 59 2.915 -7.683 -3.061 1.00 11.13 C ATOM 908 C HIS A 59 2.528 -6.433 -3.894 1.00 72.34 C ATOM 909 O HIS A 59 3.060 -6.193 -4.978 1.00 64.53 O ATOM 910 CB HIS A 59 4.457 -7.857 -2.994 1.00 41.04 C ATOM 911 CG HIS A 59 4.926 -8.823 -1.933 1.00 4.21 C ATOM 912 ND1 HIS A 59 4.654 -10.136 -1.735 1.00 41.43 N flip ATOM 913 CD2 HIS A 59 5.788 -8.465 -0.921 1.00 12.12 C flip ATOM 914 CE1 HIS A 59 5.347 -10.531 -0.619 1.00 1.42 C flip ATOM 915 NE2 HIS A 59 6.022 -9.502 -0.154 1.00 12.44 N flip ATOM 0 H HIS A 59 2.910 -9.482 -4.159 1.00 53.44 H new ATOM 0 HA HIS A 59 2.541 -7.523 -2.050 1.00 11.13 H new ATOM 0 HB2 HIS A 59 4.815 -8.199 -3.965 1.00 41.04 H new ATOM 0 HB3 HIS A 59 4.913 -6.884 -2.811 1.00 41.04 H new ATOM 0 HD2 HIS A 59 6.208 -7.480 -0.780 1.00 12.12 H new ATOM 0 HE1 HIS A 59 5.340 -11.523 -0.192 1.00 1.42 H new ATOM 0 HE2 HIS A 59 6.627 -9.510 0.667 1.00 12.44 H new ATOM 924 N ARG A 60 1.561 -5.671 -3.370 1.00 72.12 N ATOM 925 CA ARG A 60 1.036 -4.440 -3.990 1.00 34.42 C ATOM 926 C ARG A 60 1.511 -3.208 -3.180 1.00 71.35 C ATOM 927 O ARG A 60 0.989 -2.953 -2.094 1.00 3.23 O ATOM 928 CB ARG A 60 -0.514 -4.504 -3.984 1.00 75.15 C ATOM 929 CG ARG A 60 -1.140 -5.750 -4.653 1.00 31.52 C ATOM 930 CD ARG A 60 -0.886 -5.822 -6.169 1.00 1.34 C ATOM 931 NE ARG A 60 -1.738 -6.832 -6.821 1.00 20.14 N ATOM 932 CZ ARG A 60 -1.531 -7.354 -8.012 1.00 33.30 C ATOM 933 NH1 ARG A 60 -0.451 -7.107 -8.681 1.00 13.40 N ATOM 934 NH2 ARG A 60 -2.412 -8.140 -8.515 1.00 61.02 N ATOM 0 H ARG A 60 1.109 -5.895 -2.483 1.00 72.12 H new ATOM 0 HA ARG A 60 1.400 -4.353 -5.014 1.00 34.42 H new ATOM 0 HB2 ARG A 60 -0.856 -4.460 -2.950 1.00 75.15 H new ATOM 0 HB3 ARG A 60 -0.897 -3.615 -4.485 1.00 75.15 H new ATOM 0 HG2 ARG A 60 -0.738 -6.647 -4.182 1.00 31.52 H new ATOM 0 HG3 ARG A 60 -2.215 -5.749 -4.472 1.00 31.52 H new ATOM 0 HD2 ARG A 60 -1.074 -4.846 -6.615 1.00 1.34 H new ATOM 0 HD3 ARG A 60 0.162 -6.059 -6.351 1.00 1.34 H new ATOM 0 HE ARG A 60 -2.558 -7.154 -6.306 1.00 20.14 H new ATOM 0 HH11 ARG A 60 0.264 -6.495 -8.287 1.00 13.40 H new ATOM 0 HH12 ARG A 60 -0.315 -7.524 -9.602 1.00 13.40 H new ATOM 0 HH21 ARG A 60 -3.262 -8.354 -7.993 1.00 61.02 H new ATOM 0 HH22 ARG A 60 -2.263 -8.550 -9.437 1.00 61.02 H new ATOM 948 N ARG A 61 2.501 -2.452 -3.695 1.00 12.24 N ATOM 949 CA ARG A 61 3.109 -1.314 -2.947 1.00 11.13 C ATOM 950 C ARG A 61 3.115 0.032 -3.729 1.00 73.32 C ATOM 951 O ARG A 61 3.332 0.082 -4.938 1.00 13.11 O ATOM 952 CB ARG A 61 4.546 -1.680 -2.462 1.00 75.12 C ATOM 953 CG ARG A 61 5.459 -2.327 -3.524 1.00 35.55 C ATOM 954 CD ARG A 61 6.892 -2.581 -3.004 1.00 23.24 C ATOM 955 NE ARG A 61 6.908 -3.350 -1.740 1.00 3.15 N ATOM 956 CZ ARG A 61 7.973 -3.568 -0.993 1.00 41.32 C ATOM 957 NH1 ARG A 61 9.155 -3.203 -1.370 1.00 33.21 N ATOM 958 NH2 ARG A 61 7.845 -4.184 0.132 1.00 31.03 N ATOM 0 H ARG A 61 2.901 -2.601 -4.621 1.00 12.24 H new ATOM 0 HA ARG A 61 2.465 -1.148 -2.084 1.00 11.13 H new ATOM 0 HB2 ARG A 61 5.029 -0.774 -2.096 1.00 75.12 H new ATOM 0 HB3 ARG A 61 4.463 -2.362 -1.615 1.00 75.12 H new ATOM 0 HG2 ARG A 61 5.021 -3.272 -3.847 1.00 35.55 H new ATOM 0 HG3 ARG A 61 5.504 -1.681 -4.401 1.00 35.55 H new ATOM 0 HD2 ARG A 61 7.459 -3.122 -3.762 1.00 23.24 H new ATOM 0 HD3 ARG A 61 7.394 -1.626 -2.851 1.00 23.24 H new ATOM 0 HE ARG A 61 6.023 -3.744 -1.420 1.00 3.15 H new ATOM 0 HH11 ARG A 61 9.282 -2.733 -2.266 1.00 33.21 H new ATOM 0 HH12 ARG A 61 9.960 -3.385 -0.771 1.00 33.21 H new ATOM 0 HH21 ARG A 61 6.925 -4.499 0.439 1.00 31.03 H new ATOM 0 HH22 ARG A 61 8.664 -4.356 0.715 1.00 31.03 H new ATOM 972 N LEU A 62 2.835 1.109 -2.977 1.00 42.52 N ATOM 973 CA LEU A 62 2.957 2.518 -3.412 1.00 54.44 C ATOM 974 C LEU A 62 4.367 3.023 -3.038 1.00 61.01 C ATOM 975 O LEU A 62 4.776 2.896 -1.885 1.00 42.42 O ATOM 976 CB LEU A 62 1.844 3.351 -2.687 1.00 35.23 C ATOM 977 CG LEU A 62 1.568 4.836 -3.150 1.00 63.31 C ATOM 978 CD1 LEU A 62 0.208 5.329 -2.600 1.00 51.34 C ATOM 979 CD2 LEU A 62 2.684 5.825 -2.730 1.00 2.42 C ATOM 0 H LEU A 62 2.506 1.024 -2.015 1.00 42.52 H new ATOM 0 HA LEU A 62 2.826 2.619 -4.489 1.00 54.44 H new ATOM 0 HB2 LEU A 62 0.909 2.799 -2.780 1.00 35.23 H new ATOM 0 HB3 LEU A 62 2.094 3.379 -1.626 1.00 35.23 H new ATOM 0 HG LEU A 62 1.549 4.816 -4.240 1.00 63.31 H new ATOM 0 HD11 LEU A 62 0.033 6.354 -2.928 1.00 51.34 H new ATOM 0 HD12 LEU A 62 -0.590 4.687 -2.973 1.00 51.34 H new ATOM 0 HD13 LEU A 62 0.222 5.294 -1.511 1.00 51.34 H new ATOM 0 HD21 LEU A 62 2.433 6.827 -3.079 1.00 2.42 H new ATOM 0 HD22 LEU A 62 2.775 5.831 -1.644 1.00 2.42 H new ATOM 0 HD23 LEU A 62 3.631 5.514 -3.171 1.00 2.42 H new ATOM 991 N VAL A 63 5.102 3.593 -4.006 1.00 25.53 N ATOM 992 CA VAL A 63 6.437 4.186 -3.759 1.00 62.42 C ATOM 993 C VAL A 63 6.395 5.704 -4.071 1.00 23.52 C ATOM 994 O VAL A 63 6.214 6.108 -5.226 1.00 23.52 O ATOM 995 CB VAL A 63 7.552 3.472 -4.620 1.00 40.25 C ATOM 996 CG1 VAL A 63 8.962 4.052 -4.333 1.00 50.35 C ATOM 997 CG2 VAL A 63 7.526 1.936 -4.406 1.00 22.34 C ATOM 0 H VAL A 63 4.796 3.658 -4.977 1.00 25.53 H new ATOM 0 HA VAL A 63 6.692 4.040 -2.709 1.00 62.42 H new ATOM 0 HB VAL A 63 7.327 3.670 -5.668 1.00 40.25 H new ATOM 0 HG11 VAL A 63 9.700 3.534 -4.945 1.00 50.35 H new ATOM 0 HG12 VAL A 63 8.974 5.115 -4.573 1.00 50.35 H new ATOM 0 HG13 VAL A 63 9.204 3.915 -3.279 1.00 50.35 H new ATOM 0 HG21 VAL A 63 8.304 1.471 -5.011 1.00 22.34 H new ATOM 0 HG22 VAL A 63 7.702 1.712 -3.354 1.00 22.34 H new ATOM 0 HG23 VAL A 63 6.553 1.544 -4.702 1.00 22.34 H new ATOM 1007 N LEU A 64 6.526 6.540 -3.026 1.00 70.44 N ATOM 1008 CA LEU A 64 6.514 8.016 -3.163 1.00 22.51 C ATOM 1009 C LEU A 64 7.971 8.567 -3.036 1.00 15.10 C ATOM 1010 O LEU A 64 8.495 8.598 -1.926 1.00 53.51 O ATOM 1011 CB LEU A 64 5.559 8.656 -2.086 1.00 4.21 C ATOM 1012 CG LEU A 64 4.737 9.919 -2.532 1.00 34.10 C ATOM 1013 CD1 LEU A 64 5.640 11.035 -3.096 1.00 65.21 C ATOM 1014 CD2 LEU A 64 3.631 9.530 -3.536 1.00 1.15 C ATOM 0 H LEU A 64 6.643 6.218 -2.065 1.00 70.44 H new ATOM 0 HA LEU A 64 6.131 8.288 -4.147 1.00 22.51 H new ATOM 0 HB2 LEU A 64 4.856 7.891 -1.758 1.00 4.21 H new ATOM 0 HB3 LEU A 64 6.160 8.930 -1.219 1.00 4.21 H new ATOM 0 HG LEU A 64 4.259 10.324 -1.640 1.00 34.10 H new ATOM 0 HD11 LEU A 64 5.026 11.886 -3.390 1.00 65.21 H new ATOM 0 HD12 LEU A 64 6.352 11.348 -2.332 1.00 65.21 H new ATOM 0 HD13 LEU A 64 6.181 10.661 -3.965 1.00 65.21 H new ATOM 0 HD21 LEU A 64 3.076 10.421 -3.829 1.00 1.15 H new ATOM 0 HD22 LEU A 64 4.083 9.077 -4.418 1.00 1.15 H new ATOM 0 HD23 LEU A 64 2.951 8.817 -3.070 1.00 1.15 H new ATOM 1026 N PRO A 65 8.633 8.985 -4.179 1.00 12.03 N ATOM 1027 CA PRO A 65 10.000 9.601 -4.188 1.00 32.34 C ATOM 1028 C PRO A 65 10.253 10.700 -3.107 1.00 52.31 C ATOM 1029 O PRO A 65 11.194 10.594 -2.307 1.00 63.12 O ATOM 1030 CB PRO A 65 10.082 10.207 -5.609 1.00 52.42 C ATOM 1031 CG PRO A 65 9.253 9.290 -6.454 1.00 11.10 C ATOM 1032 CD PRO A 65 8.117 8.821 -5.571 1.00 72.31 C ATOM 0 HA PRO A 65 10.758 8.856 -3.948 1.00 32.34 H new ATOM 0 HB2 PRO A 65 9.694 11.225 -5.630 1.00 52.42 H new ATOM 0 HB3 PRO A 65 11.112 10.251 -5.963 1.00 52.42 H new ATOM 0 HG2 PRO A 65 8.874 9.808 -7.335 1.00 11.10 H new ATOM 0 HG3 PRO A 65 9.844 8.446 -6.810 1.00 11.10 H new ATOM 0 HD2 PRO A 65 7.217 9.414 -5.733 1.00 72.31 H new ATOM 0 HD3 PRO A 65 7.856 7.783 -5.778 1.00 72.31 H new ATOM 1040 N ALA A 66 9.416 11.753 -3.107 1.00 64.43 N ATOM 1041 CA ALA A 66 9.507 12.871 -2.140 1.00 52.41 C ATOM 1042 C ALA A 66 8.118 13.135 -1.525 1.00 12.40 C ATOM 1043 O ALA A 66 7.305 13.868 -2.107 1.00 61.33 O ATOM 1044 CB ALA A 66 10.067 14.132 -2.833 1.00 10.12 C ATOM 0 H ALA A 66 8.654 11.856 -3.778 1.00 64.43 H new ATOM 0 HA ALA A 66 10.193 12.604 -1.336 1.00 52.41 H new ATOM 0 HB1 ALA A 66 10.129 14.947 -2.111 1.00 10.12 H new ATOM 0 HB2 ALA A 66 11.061 13.920 -3.227 1.00 10.12 H new ATOM 0 HB3 ALA A 66 9.407 14.421 -3.651 1.00 10.12 H new ATOM 1050 N THR A 67 7.833 12.491 -0.377 1.00 55.13 N ATOM 1051 CA THR A 67 6.490 12.526 0.252 1.00 45.02 C ATOM 1052 C THR A 67 6.230 13.882 0.939 1.00 72.12 C ATOM 1053 O THR A 67 6.632 14.117 2.085 1.00 71.41 O ATOM 1054 CB THR A 67 6.282 11.351 1.269 1.00 32.41 C ATOM 1055 OG1 THR A 67 6.783 10.126 0.701 1.00 4.41 O ATOM 1056 CG2 THR A 67 4.793 11.154 1.642 1.00 32.51 C ATOM 0 H THR A 67 8.516 11.936 0.139 1.00 55.13 H new ATOM 0 HA THR A 67 5.765 12.399 -0.552 1.00 45.02 H new ATOM 0 HB THR A 67 6.827 11.610 2.177 1.00 32.41 H new ATOM 0 HG1 THR A 67 7.758 10.097 0.794 1.00 4.41 H new ATOM 0 HG21 THR A 67 4.701 10.329 2.348 1.00 32.51 H new ATOM 0 HG22 THR A 67 4.408 12.066 2.097 1.00 32.51 H new ATOM 0 HG23 THR A 67 4.220 10.928 0.743 1.00 32.51 H new ATOM 1064 N GLN A 68 5.584 14.773 0.184 1.00 11.12 N ATOM 1065 CA GLN A 68 5.202 16.123 0.633 1.00 54.44 C ATOM 1066 C GLN A 68 4.055 16.053 1.686 1.00 10.55 C ATOM 1067 O GLN A 68 3.295 15.083 1.678 1.00 44.35 O ATOM 1068 CB GLN A 68 4.780 16.935 -0.625 1.00 4.25 C ATOM 1069 CG GLN A 68 5.890 17.044 -1.700 1.00 3.33 C ATOM 1070 CD GLN A 68 5.409 17.626 -3.034 1.00 23.12 C ATOM 1071 OE1 GLN A 68 5.007 16.897 -3.939 1.00 72.44 O ATOM 1072 NE2 GLN A 68 5.434 18.935 -3.168 1.00 54.23 N ATOM 0 H GLN A 68 5.304 14.577 -0.777 1.00 11.12 H new ATOM 0 HA GLN A 68 6.041 16.616 1.124 1.00 54.44 H new ATOM 0 HB2 GLN A 68 3.901 16.468 -1.070 1.00 4.25 H new ATOM 0 HB3 GLN A 68 4.486 17.938 -0.317 1.00 4.25 H new ATOM 0 HG2 GLN A 68 6.697 17.667 -1.313 1.00 3.33 H new ATOM 0 HG3 GLN A 68 6.309 16.053 -1.877 1.00 3.33 H new ATOM 0 HE21 GLN A 68 5.772 19.520 -2.403 1.00 54.23 H new ATOM 0 HE22 GLN A 68 5.116 19.365 -4.036 1.00 54.23 H new ATOM 1081 N PRO A 69 3.914 17.066 2.614 1.00 5.53 N ATOM 1082 CA PRO A 69 2.837 17.076 3.655 1.00 43.23 C ATOM 1083 C PRO A 69 1.404 16.933 3.068 1.00 2.31 C ATOM 1084 O PRO A 69 0.537 16.274 3.651 1.00 32.00 O ATOM 1085 CB PRO A 69 3.025 18.450 4.345 1.00 51.20 C ATOM 1086 CG PRO A 69 4.462 18.798 4.109 1.00 64.23 C ATOM 1087 CD PRO A 69 4.799 18.256 2.741 1.00 34.43 C ATOM 0 HA PRO A 69 2.924 16.226 4.331 1.00 43.23 H new ATOM 0 HB2 PRO A 69 2.360 19.202 3.919 1.00 51.20 H new ATOM 0 HB3 PRO A 69 2.801 18.393 5.410 1.00 51.20 H new ATOM 0 HG2 PRO A 69 4.615 19.876 4.150 1.00 64.23 H new ATOM 0 HG3 PRO A 69 5.102 18.356 4.873 1.00 64.23 H new ATOM 0 HD2 PRO A 69 4.602 18.989 1.959 1.00 34.43 H new ATOM 0 HD3 PRO A 69 5.852 17.984 2.665 1.00 34.43 H new ATOM 1095 N SER A 70 1.198 17.562 1.901 1.00 34.35 N ATOM 1096 CA SER A 70 -0.068 17.510 1.134 1.00 2.53 C ATOM 1097 C SER A 70 -0.257 16.154 0.401 1.00 62.32 C ATOM 1098 O SER A 70 -1.389 15.705 0.175 1.00 40.23 O ATOM 1099 CB SER A 70 -0.077 18.678 0.118 1.00 0.43 C ATOM 1100 OG SER A 70 1.113 18.692 -0.671 1.00 44.34 O ATOM 0 H SER A 70 1.915 18.132 1.452 1.00 34.35 H new ATOM 0 HA SER A 70 -0.900 17.606 1.832 1.00 2.53 H new ATOM 0 HB2 SER A 70 -0.946 18.589 -0.534 1.00 0.43 H new ATOM 0 HB3 SER A 70 -0.174 19.624 0.650 1.00 0.43 H new ATOM 0 HG SER A 70 1.161 17.872 -1.205 1.00 44.34 H new ATOM 1106 N ASP A 71 0.867 15.517 0.024 1.00 41.14 N ATOM 1107 CA ASP A 71 0.879 14.206 -0.677 1.00 41.13 C ATOM 1108 C ASP A 71 1.131 13.026 0.298 1.00 33.20 C ATOM 1109 O ASP A 71 1.303 11.878 -0.130 1.00 34.03 O ATOM 1110 CB ASP A 71 1.930 14.243 -1.806 1.00 1.32 C ATOM 1111 CG ASP A 71 1.602 15.336 -2.831 1.00 24.43 C ATOM 1112 OD1 ASP A 71 0.845 15.062 -3.789 1.00 51.43 O ATOM 1113 OD2 ASP A 71 2.061 16.487 -2.661 1.00 21.42 O ATOM 0 H ASP A 71 1.800 15.893 0.195 1.00 41.14 H new ATOM 0 HA ASP A 71 -0.106 14.035 -1.111 1.00 41.13 H new ATOM 0 HB2 ASP A 71 2.918 14.423 -1.382 1.00 1.32 H new ATOM 0 HB3 ASP A 71 1.968 13.274 -2.303 1.00 1.32 H new ATOM 1118 N GLY A 72 1.148 13.331 1.606 1.00 45.34 N ATOM 1119 CA GLY A 72 1.158 12.318 2.671 1.00 24.02 C ATOM 1120 C GLY A 72 -0.197 12.203 3.374 1.00 24.24 C ATOM 1121 O GLY A 72 -1.246 12.352 2.732 1.00 61.13 O ATOM 0 H GLY A 72 1.155 14.290 1.954 1.00 45.34 H new ATOM 0 HA2 GLY A 72 1.429 11.351 2.247 1.00 24.02 H new ATOM 0 HA3 GLY A 72 1.925 12.571 3.403 1.00 24.02 H new ATOM 1125 N GLY A 73 -0.182 11.932 4.694 1.00 24.24 N ATOM 1126 CA GLY A 73 -1.418 11.812 5.477 1.00 65.40 C ATOM 1127 C GLY A 73 -2.111 10.452 5.315 1.00 71.23 C ATOM 1128 O GLY A 73 -1.447 9.425 5.196 1.00 13.21 O ATOM 0 H GLY A 73 0.672 11.793 5.235 1.00 24.24 H new ATOM 0 HA2 GLY A 73 -1.189 11.972 6.531 1.00 65.40 H new ATOM 0 HA3 GLY A 73 -2.108 12.601 5.177 1.00 65.40 H new ATOM 1132 N GLU A 74 -3.453 10.446 5.297 1.00 24.32 N ATOM 1133 CA GLU A 74 -4.265 9.205 5.305 1.00 21.25 C ATOM 1134 C GLU A 74 -4.399 8.586 3.885 1.00 5.31 C ATOM 1135 O GLU A 74 -4.807 9.269 2.943 1.00 34.31 O ATOM 1136 CB GLU A 74 -5.662 9.522 5.896 1.00 43.34 C ATOM 1137 CG GLU A 74 -5.619 10.132 7.316 1.00 12.30 C ATOM 1138 CD GLU A 74 -7.006 10.552 7.832 1.00 12.43 C ATOM 1139 OE1 GLU A 74 -7.453 11.679 7.523 1.00 20.40 O ATOM 1140 OE2 GLU A 74 -7.668 9.747 8.519 1.00 75.41 O ATOM 0 H GLU A 74 -4.012 11.299 5.276 1.00 24.32 H new ATOM 0 HA GLU A 74 -3.758 8.464 5.924 1.00 21.25 H new ATOM 0 HB2 GLU A 74 -6.179 10.213 5.230 1.00 43.34 H new ATOM 0 HB3 GLU A 74 -6.251 8.605 5.923 1.00 43.34 H new ATOM 0 HG2 GLU A 74 -5.186 9.406 8.004 1.00 12.30 H new ATOM 0 HG3 GLU A 74 -4.960 11.001 7.313 1.00 12.30 H new ATOM 1147 N PHE A 75 -4.028 7.292 3.758 1.00 52.24 N ATOM 1148 CA PHE A 75 -4.152 6.495 2.507 1.00 22.52 C ATOM 1149 C PHE A 75 -5.112 5.287 2.701 1.00 34.33 C ATOM 1150 O PHE A 75 -5.397 4.872 3.831 1.00 23.52 O ATOM 1151 CB PHE A 75 -2.761 5.966 2.048 1.00 15.15 C ATOM 1152 CG PHE A 75 -1.772 7.035 1.574 1.00 32.32 C ATOM 1153 CD1 PHE A 75 -1.095 7.842 2.485 1.00 20.15 C ATOM 1154 CD2 PHE A 75 -1.492 7.207 0.217 1.00 2.11 C ATOM 1155 CE1 PHE A 75 -0.182 8.785 2.058 1.00 63.20 C ATOM 1156 CE2 PHE A 75 -0.574 8.146 -0.207 1.00 31.43 C ATOM 1157 CZ PHE A 75 0.082 8.935 0.713 1.00 22.11 C ATOM 0 H PHE A 75 -3.628 6.760 4.531 1.00 52.24 H new ATOM 0 HA PHE A 75 -4.561 7.157 1.743 1.00 22.52 H new ATOM 0 HB2 PHE A 75 -2.309 5.419 2.875 1.00 15.15 H new ATOM 0 HB3 PHE A 75 -2.912 5.252 1.239 1.00 15.15 H new ATOM 0 HD1 PHE A 75 -1.287 7.728 3.542 1.00 20.15 H new ATOM 0 HD2 PHE A 75 -2.002 6.595 -0.512 1.00 2.11 H new ATOM 0 HE1 PHE A 75 0.327 9.407 2.779 1.00 63.20 H new ATOM 0 HE2 PHE A 75 -0.369 8.263 -1.261 1.00 31.43 H new ATOM 0 HZ PHE A 75 0.801 9.669 0.381 1.00 22.11 H new ATOM 1167 N GLN A 76 -5.580 4.721 1.567 1.00 31.55 N ATOM 1168 CA GLN A 76 -6.449 3.513 1.543 1.00 45.22 C ATOM 1169 C GLN A 76 -6.142 2.644 0.293 1.00 71.41 C ATOM 1170 O GLN A 76 -6.194 3.128 -0.831 1.00 4.15 O ATOM 1171 CB GLN A 76 -7.951 3.923 1.558 1.00 61.44 C ATOM 1172 CG GLN A 76 -8.944 2.739 1.504 1.00 43.53 C ATOM 1173 CD GLN A 76 -10.408 3.180 1.426 1.00 41.22 C ATOM 1174 OE1 GLN A 76 -10.907 3.387 0.220 1.00 4.42 O flip ATOM 1175 NE2 GLN A 76 -11.083 3.346 2.437 1.00 5.25 N flip ATOM 0 H GLN A 76 -5.368 5.086 0.638 1.00 31.55 H new ATOM 0 HA GLN A 76 -6.239 2.923 2.435 1.00 45.22 H new ATOM 0 HB2 GLN A 76 -8.146 4.503 2.460 1.00 61.44 H new ATOM 0 HB3 GLN A 76 -8.143 4.580 0.709 1.00 61.44 H new ATOM 0 HG2 GLN A 76 -8.712 2.118 0.638 1.00 43.53 H new ATOM 0 HG3 GLN A 76 -8.806 2.117 2.388 1.00 43.53 H new ATOM 0 HE21 GLN A 76 -10.674 3.179 3.356 1.00 5.25 H new ATOM 0 HE22 GLN A 76 -12.053 3.651 2.358 1.00 5.25 H new ATOM 1184 N CYS A 77 -5.834 1.357 0.512 1.00 33.12 N ATOM 1185 CA CYS A 77 -5.537 0.385 -0.570 1.00 15.55 C ATOM 1186 C CYS A 77 -6.695 -0.624 -0.723 1.00 73.42 C ATOM 1187 O CYS A 77 -6.910 -1.449 0.159 1.00 74.11 O ATOM 1188 CB CYS A 77 -4.231 -0.365 -0.241 1.00 24.43 C ATOM 1189 SG CYS A 77 -3.717 -1.555 -1.492 1.00 31.11 S ATOM 0 H CYS A 77 -5.782 0.952 1.447 1.00 33.12 H new ATOM 0 HA CYS A 77 -5.422 0.926 -1.509 1.00 15.55 H new ATOM 0 HB2 CYS A 77 -3.433 0.365 -0.102 1.00 24.43 H new ATOM 0 HB3 CYS A 77 -4.355 -0.886 0.708 1.00 24.43 H new ATOM 0 HG CYS A 77 -2.548 -1.223 -1.953 1.00 31.11 H new ATOM 1195 N VAL A 78 -7.452 -0.546 -1.835 1.00 32.13 N ATOM 1196 CA VAL A 78 -8.618 -1.433 -2.082 1.00 63.00 C ATOM 1197 C VAL A 78 -8.287 -2.553 -3.098 1.00 13.34 C ATOM 1198 O VAL A 78 -8.230 -2.315 -4.305 1.00 74.22 O ATOM 1199 CB VAL A 78 -9.872 -0.619 -2.588 1.00 25.34 C ATOM 1200 CG1 VAL A 78 -11.094 -1.545 -2.845 1.00 33.22 C ATOM 1201 CG2 VAL A 78 -10.234 0.511 -1.595 1.00 3.23 C ATOM 0 H VAL A 78 -7.279 0.125 -2.584 1.00 32.13 H new ATOM 0 HA VAL A 78 -8.859 -1.893 -1.124 1.00 63.00 H new ATOM 0 HB VAL A 78 -9.602 -0.163 -3.541 1.00 25.34 H new ATOM 0 HG11 VAL A 78 -11.937 -0.947 -3.192 1.00 33.22 H new ATOM 0 HG12 VAL A 78 -10.837 -2.285 -3.603 1.00 33.22 H new ATOM 0 HG13 VAL A 78 -11.366 -2.053 -1.920 1.00 33.22 H new ATOM 0 HG21 VAL A 78 -11.101 1.057 -1.966 1.00 3.23 H new ATOM 0 HG22 VAL A 78 -10.466 0.079 -0.621 1.00 3.23 H new ATOM 0 HG23 VAL A 78 -9.390 1.194 -1.497 1.00 3.23 H new ATOM 1211 N ALA A 79 -8.089 -3.782 -2.602 1.00 61.24 N ATOM 1212 CA ALA A 79 -7.950 -4.975 -3.463 1.00 4.04 C ATOM 1213 C ALA A 79 -9.337 -5.545 -3.801 1.00 54.53 C ATOM 1214 O ALA A 79 -9.932 -6.263 -2.987 1.00 2.22 O ATOM 1215 CB ALA A 79 -7.081 -6.035 -2.783 1.00 22.00 C ATOM 0 H ALA A 79 -8.021 -3.981 -1.604 1.00 61.24 H new ATOM 0 HA ALA A 79 -7.458 -4.681 -4.390 1.00 4.04 H new ATOM 0 HB1 ALA A 79 -6.992 -6.905 -3.434 1.00 22.00 H new ATOM 0 HB2 ALA A 79 -6.090 -5.624 -2.589 1.00 22.00 H new ATOM 0 HB3 ALA A 79 -7.541 -6.333 -1.841 1.00 22.00 H new ATOM 1221 N GLY A 80 -9.856 -5.173 -4.989 1.00 74.34 N ATOM 1222 CA GLY A 80 -11.172 -5.623 -5.454 1.00 43.44 C ATOM 1223 C GLY A 80 -12.333 -5.018 -4.659 1.00 24.32 C ATOM 1224 O GLY A 80 -12.951 -4.035 -5.086 1.00 64.35 O ATOM 0 H GLY A 80 -9.374 -4.557 -5.644 1.00 74.34 H new ATOM 0 HA2 GLY A 80 -11.287 -5.363 -6.506 1.00 43.44 H new ATOM 0 HA3 GLY A 80 -11.222 -6.710 -5.387 1.00 43.44 H new ATOM 1228 N ASP A 81 -12.611 -5.605 -3.481 1.00 20.42 N ATOM 1229 CA ASP A 81 -13.707 -5.172 -2.586 1.00 33.12 C ATOM 1230 C ASP A 81 -13.209 -4.926 -1.133 1.00 22.11 C ATOM 1231 O ASP A 81 -13.863 -4.217 -0.358 1.00 75.05 O ATOM 1232 CB ASP A 81 -14.838 -6.238 -2.618 1.00 12.53 C ATOM 1233 CG ASP A 81 -16.100 -5.830 -1.834 1.00 62.21 C ATOM 1234 OD1 ASP A 81 -16.817 -4.913 -2.294 1.00 1.50 O ATOM 1235 OD2 ASP A 81 -16.386 -6.423 -0.768 1.00 11.43 O ATOM 0 H ASP A 81 -12.081 -6.397 -3.119 1.00 20.42 H new ATOM 0 HA ASP A 81 -14.094 -4.218 -2.945 1.00 33.12 H new ATOM 0 HB2 ASP A 81 -15.113 -6.432 -3.655 1.00 12.53 H new ATOM 0 HB3 ASP A 81 -14.455 -7.173 -2.210 1.00 12.53 H new ATOM 1240 N GLU A 82 -12.053 -5.504 -0.762 1.00 24.21 N ATOM 1241 CA GLU A 82 -11.482 -5.343 0.603 1.00 62.33 C ATOM 1242 C GLU A 82 -10.516 -4.136 0.647 1.00 43.00 C ATOM 1243 O GLU A 82 -9.837 -3.862 -0.340 1.00 5.34 O ATOM 1244 CB GLU A 82 -10.753 -6.645 1.039 1.00 31.31 C ATOM 1245 CG GLU A 82 -10.341 -6.690 2.530 1.00 21.43 C ATOM 1246 CD GLU A 82 -11.528 -6.528 3.496 1.00 24.34 C ATOM 1247 OE1 GLU A 82 -12.317 -7.490 3.648 1.00 21.00 O ATOM 1248 OE2 GLU A 82 -11.693 -5.434 4.080 1.00 42.35 O ATOM 0 H GLU A 82 -11.491 -6.087 -1.381 1.00 24.21 H new ATOM 0 HA GLU A 82 -12.297 -5.153 1.301 1.00 62.33 H new ATOM 0 HB2 GLU A 82 -11.402 -7.495 0.830 1.00 31.31 H new ATOM 0 HB3 GLU A 82 -9.860 -6.767 0.426 1.00 31.31 H new ATOM 0 HG2 GLU A 82 -9.843 -7.638 2.733 1.00 21.43 H new ATOM 0 HG3 GLU A 82 -9.615 -5.901 2.723 1.00 21.43 H new ATOM 1255 N CYS A 83 -10.437 -3.436 1.803 1.00 24.13 N ATOM 1256 CA CYS A 83 -9.626 -2.196 1.938 1.00 74.44 C ATOM 1257 C CYS A 83 -8.731 -2.197 3.204 1.00 24.20 C ATOM 1258 O CYS A 83 -9.214 -2.375 4.326 1.00 3.22 O ATOM 1259 CB CYS A 83 -10.551 -0.956 1.945 1.00 21.14 C ATOM 1260 SG CYS A 83 -11.822 -0.974 3.232 1.00 44.34 S ATOM 0 H CYS A 83 -10.924 -3.706 2.657 1.00 24.13 H new ATOM 0 HA CYS A 83 -8.959 -2.158 1.077 1.00 74.44 H new ATOM 0 HB2 CYS A 83 -9.939 -0.063 2.069 1.00 21.14 H new ATOM 0 HB3 CYS A 83 -11.038 -0.876 0.973 1.00 21.14 H new ATOM 0 HG CYS A 83 -11.349 -1.542 4.301 1.00 44.34 H new ATOM 1266 N ALA A 84 -7.413 -2.004 2.986 1.00 22.13 N ATOM 1267 CA ALA A 84 -6.417 -1.756 4.056 1.00 52.35 C ATOM 1268 C ALA A 84 -6.201 -0.232 4.235 1.00 24.42 C ATOM 1269 O ALA A 84 -6.480 0.550 3.318 1.00 52.14 O ATOM 1270 CB ALA A 84 -5.093 -2.456 3.710 1.00 11.12 C ATOM 0 H ALA A 84 -7.003 -2.016 2.052 1.00 22.13 H new ATOM 0 HA ALA A 84 -6.789 -2.164 4.996 1.00 52.35 H new ATOM 0 HB1 ALA A 84 -4.366 -2.270 4.500 1.00 11.12 H new ATOM 0 HB2 ALA A 84 -5.262 -3.529 3.618 1.00 11.12 H new ATOM 0 HB3 ALA A 84 -4.711 -2.066 2.766 1.00 11.12 H new ATOM 1276 N TYR A 85 -5.695 0.189 5.412 1.00 42.43 N ATOM 1277 CA TYR A 85 -5.599 1.631 5.784 1.00 34.01 C ATOM 1278 C TYR A 85 -4.178 2.022 6.272 1.00 43.32 C ATOM 1279 O TYR A 85 -3.483 1.227 6.910 1.00 51.12 O ATOM 1280 CB TYR A 85 -6.642 1.960 6.882 1.00 60.11 C ATOM 1281 CG TYR A 85 -8.116 1.804 6.445 1.00 51.31 C ATOM 1282 CD1 TYR A 85 -8.814 2.872 5.869 1.00 43.11 C ATOM 1283 CD2 TYR A 85 -8.803 0.594 6.610 1.00 12.42 C ATOM 1284 CE1 TYR A 85 -10.134 2.738 5.482 1.00 52.13 C ATOM 1285 CE2 TYR A 85 -10.123 0.463 6.222 1.00 51.52 C ATOM 1286 CZ TYR A 85 -10.782 1.535 5.659 1.00 34.54 C ATOM 1287 OH TYR A 85 -12.105 1.409 5.286 1.00 42.14 O ATOM 0 H TYR A 85 -5.343 -0.445 6.129 1.00 42.43 H new ATOM 0 HA TYR A 85 -5.806 2.214 4.886 1.00 34.01 H new ATOM 0 HB2 TYR A 85 -6.462 1.312 7.740 1.00 60.11 H new ATOM 0 HB3 TYR A 85 -6.484 2.985 7.218 1.00 60.11 H new ATOM 0 HD1 TYR A 85 -8.312 3.817 5.724 1.00 43.11 H new ATOM 0 HD2 TYR A 85 -8.292 -0.251 7.048 1.00 12.42 H new ATOM 0 HE1 TYR A 85 -10.656 3.574 5.042 1.00 52.13 H new ATOM 0 HE2 TYR A 85 -10.637 -0.477 6.360 1.00 51.52 H new ATOM 0 HH TYR A 85 -12.192 0.688 4.629 1.00 42.14 H new ATOM 1297 N PHE A 86 -3.774 3.273 5.963 1.00 62.32 N ATOM 1298 CA PHE A 86 -2.467 3.857 6.371 1.00 42.33 C ATOM 1299 C PHE A 86 -2.658 5.311 6.862 1.00 13.13 C ATOM 1300 O PHE A 86 -3.551 6.019 6.389 1.00 30.35 O ATOM 1301 CB PHE A 86 -1.462 3.855 5.187 1.00 4.53 C ATOM 1302 CG PHE A 86 -1.153 2.471 4.620 1.00 71.50 C ATOM 1303 CD1 PHE A 86 -0.255 1.619 5.266 1.00 51.14 C ATOM 1304 CD2 PHE A 86 -1.760 2.019 3.446 1.00 11.20 C ATOM 1305 CE1 PHE A 86 0.027 0.367 4.756 1.00 43.44 C ATOM 1306 CE2 PHE A 86 -1.479 0.765 2.941 1.00 50.42 C ATOM 1307 CZ PHE A 86 -0.583 -0.058 3.594 1.00 51.11 C ATOM 0 H PHE A 86 -4.348 3.916 5.418 1.00 62.32 H new ATOM 0 HA PHE A 86 -2.069 3.243 7.179 1.00 42.33 H new ATOM 0 HB2 PHE A 86 -1.860 4.480 4.388 1.00 4.53 H new ATOM 0 HB3 PHE A 86 -0.530 4.315 5.517 1.00 4.53 H new ATOM 0 HD1 PHE A 86 0.226 1.944 6.177 1.00 51.14 H new ATOM 0 HD2 PHE A 86 -2.458 2.659 2.927 1.00 11.20 H new ATOM 0 HE1 PHE A 86 0.725 -0.279 5.267 1.00 43.44 H new ATOM 0 HE2 PHE A 86 -1.960 0.428 2.035 1.00 50.42 H new ATOM 0 HZ PHE A 86 -0.359 -1.036 3.194 1.00 51.11 H new ATOM 1317 N THR A 87 -1.810 5.748 7.812 1.00 50.31 N ATOM 1318 CA THR A 87 -1.785 7.151 8.296 1.00 11.33 C ATOM 1319 C THR A 87 -0.322 7.637 8.401 1.00 32.33 C ATOM 1320 O THR A 87 0.387 7.315 9.354 1.00 54.34 O ATOM 1321 CB THR A 87 -2.505 7.310 9.684 1.00 2.11 C ATOM 1322 OG1 THR A 87 -3.847 6.801 9.605 1.00 71.12 O ATOM 1323 CG2 THR A 87 -2.552 8.780 10.155 1.00 53.42 C ATOM 0 H THR A 87 -1.124 5.146 8.267 1.00 50.31 H new ATOM 0 HA THR A 87 -2.329 7.762 7.575 1.00 11.33 H new ATOM 0 HB THR A 87 -1.925 6.740 10.410 1.00 2.11 H new ATOM 0 HG1 THR A 87 -4.287 6.903 10.475 1.00 71.12 H new ATOM 0 HG21 THR A 87 -3.059 8.837 11.118 1.00 53.42 H new ATOM 0 HG22 THR A 87 -1.536 9.162 10.256 1.00 53.42 H new ATOM 0 HG23 THR A 87 -3.094 9.379 9.423 1.00 53.42 H new ATOM 1331 N VAL A 88 0.117 8.418 7.411 1.00 61.22 N ATOM 1332 CA VAL A 88 1.512 8.877 7.287 1.00 0.24 C ATOM 1333 C VAL A 88 1.698 10.226 8.028 1.00 20.22 C ATOM 1334 O VAL A 88 1.246 11.280 7.562 1.00 1.15 O ATOM 1335 CB VAL A 88 1.927 8.986 5.768 1.00 20.04 C ATOM 1336 CG1 VAL A 88 3.386 9.474 5.591 1.00 63.14 C ATOM 1337 CG2 VAL A 88 1.710 7.630 5.048 1.00 13.21 C ATOM 0 H VAL A 88 -0.488 8.756 6.663 1.00 61.22 H new ATOM 0 HA VAL A 88 2.170 8.144 7.754 1.00 0.24 H new ATOM 0 HB VAL A 88 1.283 9.737 5.310 1.00 20.04 H new ATOM 0 HG11 VAL A 88 3.624 9.533 4.529 1.00 63.14 H new ATOM 0 HG12 VAL A 88 3.497 10.460 6.043 1.00 63.14 H new ATOM 0 HG13 VAL A 88 4.065 8.774 6.077 1.00 63.14 H new ATOM 0 HG21 VAL A 88 2.001 7.723 4.002 1.00 13.21 H new ATOM 0 HG22 VAL A 88 2.318 6.862 5.527 1.00 13.21 H new ATOM 0 HG23 VAL A 88 0.658 7.350 5.109 1.00 13.21 H new ATOM 1347 N THR A 89 2.358 10.161 9.201 1.00 44.15 N ATOM 1348 CA THR A 89 2.522 11.305 10.123 1.00 13.33 C ATOM 1349 C THR A 89 3.703 12.210 9.690 1.00 11.31 C ATOM 1350 O THR A 89 4.867 11.883 9.939 1.00 23.15 O ATOM 1351 CB THR A 89 2.735 10.799 11.596 1.00 22.23 C ATOM 1352 OG1 THR A 89 1.696 9.864 11.951 1.00 75.10 O ATOM 1353 CG2 THR A 89 2.743 11.955 12.620 1.00 20.13 C ATOM 0 H THR A 89 2.797 9.305 9.539 1.00 44.15 H new ATOM 0 HA THR A 89 1.609 11.899 10.084 1.00 13.33 H new ATOM 0 HB THR A 89 3.711 10.315 11.628 1.00 22.23 H new ATOM 0 HG1 THR A 89 1.837 9.552 12.869 1.00 75.10 H new ATOM 0 HG21 THR A 89 2.893 11.553 13.622 1.00 20.13 H new ATOM 0 HG22 THR A 89 3.551 12.647 12.382 1.00 20.13 H new ATOM 0 HG23 THR A 89 1.790 12.483 12.580 1.00 20.13 H new ATOM 1361 N ILE A 90 3.384 13.335 9.014 1.00 71.51 N ATOM 1362 CA ILE A 90 4.384 14.315 8.519 1.00 34.35 C ATOM 1363 C ILE A 90 4.209 15.664 9.248 1.00 70.30 C ATOM 1364 O ILE A 90 5.175 16.316 9.677 1.00 4.25 O ATOM 1365 CB ILE A 90 4.249 14.527 6.958 1.00 25.12 C ATOM 1366 CG1 ILE A 90 4.306 13.160 6.197 1.00 2.24 C ATOM 1367 CG2 ILE A 90 5.332 15.500 6.420 1.00 2.01 C ATOM 1368 CD1 ILE A 90 4.186 13.264 4.684 1.00 42.54 C ATOM 0 H ILE A 90 2.422 13.593 8.794 1.00 71.51 H new ATOM 0 HA ILE A 90 5.378 13.918 8.726 1.00 34.35 H new ATOM 0 HB ILE A 90 3.274 14.979 6.774 1.00 25.12 H new ATOM 0 HG12 ILE A 90 5.246 12.665 6.439 1.00 2.24 H new ATOM 0 HG13 ILE A 90 3.505 12.521 6.567 1.00 2.24 H new ATOM 0 HG21 ILE A 90 5.209 15.622 5.344 1.00 2.01 H new ATOM 0 HG22 ILE A 90 5.227 16.468 6.910 1.00 2.01 H new ATOM 0 HG23 ILE A 90 6.322 15.094 6.628 1.00 2.01 H new ATOM 0 HD11 ILE A 90 4.236 12.267 4.246 1.00 42.54 H new ATOM 0 HD12 ILE A 90 3.233 13.727 4.426 1.00 42.54 H new ATOM 0 HD13 ILE A 90 5.002 13.873 4.295 1.00 42.54 H new