USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 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 Single : A 23 HIS : no HE2:sc= -4.15 K(o=-4.1,f=-5.1!) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.0393 (180deg=-0.369) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -140:sc= -3.15 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.71 K(o=-2.7,f=-1.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.0093) USER MOD Single : A 75 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=-0.0037) USER MOD Single : A 79 THR OG1 : rot 130:sc= -3.2! USER MOD Single : A 84 CYS SG : rot 107:sc= -0.899 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -69:sc= -3.27 USER MOD Single : A 96 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 81:sc= -0.716 USER MOD Single : A 105 ASN : amide:sc=0.000751 K(o=0.00075,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -4.178 -13.870 -9.023 1.00 0.00 N ATOM 57 CA VAL A 20 -4.069 -12.480 -8.598 1.00 0.00 C ATOM 58 C VAL A 20 -3.764 -11.559 -9.774 1.00 0.00 C ATOM 59 O VAL A 20 -3.400 -12.017 -10.858 1.00 0.00 O ATOM 60 CB VAL A 20 -2.971 -12.303 -7.533 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.317 -13.077 -6.270 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.620 -12.738 -8.083 1.00 0.00 C ATOM 0 HA VAL A 20 -5.035 -12.210 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.909 -11.246 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.528 -12.938 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.261 -12.711 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.410 -14.137 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.856 -12.606 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.666 -13.788 -8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.369 -12.132 -8.954 1.00 0.00 H new ATOM 72 N GLU A 21 -3.906 -10.258 -9.547 1.00 0.00 N ATOM 73 CA GLU A 21 -3.636 -9.268 -10.582 1.00 0.00 C ATOM 74 C GLU A 21 -2.821 -8.109 -10.017 1.00 0.00 C ATOM 75 O GLU A 21 -3.235 -7.458 -9.058 1.00 0.00 O ATOM 76 CB GLU A 21 -4.947 -8.746 -11.175 1.00 0.00 C ATOM 77 CG GLU A 21 -5.560 -9.678 -12.207 1.00 0.00 C ATOM 78 CD GLU A 21 -5.621 -9.059 -13.590 1.00 0.00 C ATOM 79 OE1 GLU A 21 -4.670 -8.337 -13.960 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.617 -9.297 -14.304 1.00 0.00 O ATOM 0 H GLU A 21 -4.207 -9.865 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.058 -9.748 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.664 -8.588 -10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.767 -7.775 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.978 -10.599 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.567 -9.952 -11.891 1.00 0.00 H new ATOM 87 N LEU A 22 -1.658 -7.864 -10.612 1.00 0.00 N ATOM 88 CA LEU A 22 -0.780 -6.791 -10.166 1.00 0.00 C ATOM 89 C LEU A 22 -1.444 -5.427 -10.318 1.00 0.00 C ATOM 90 O LEU A 22 -2.071 -5.140 -11.338 1.00 0.00 O ATOM 91 CB LEU A 22 0.526 -6.823 -10.955 1.00 0.00 C ATOM 92 CG LEU A 22 1.586 -7.767 -10.398 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.817 -7.777 -11.288 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.954 -7.364 -8.977 1.00 0.00 C ATOM 0 H LEU A 22 -1.302 -8.396 -11.406 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.571 -6.948 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.306 -7.112 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.939 -5.815 -10.988 1.00 0.00 H new ATOM 0 HG LEU A 22 1.175 -8.776 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.561 -8.457 -10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.540 -8.110 -12.288 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.235 -6.772 -11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.712 -8.046 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.347 -6.347 -8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.067 -7.410 -8.345 1.00 0.00 H new ATOM 106 N HIS A 23 -1.294 -4.587 -9.297 1.00 0.00 N ATOM 107 CA HIS A 23 -1.870 -3.249 -9.314 1.00 0.00 C ATOM 108 C HIS A 23 -0.935 -2.246 -8.644 1.00 0.00 C ATOM 109 O HIS A 23 -0.610 -2.378 -7.463 1.00 0.00 O ATOM 110 CB HIS A 23 -3.227 -3.243 -8.606 1.00 0.00 C ATOM 111 CG HIS A 23 -4.158 -4.316 -9.079 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.406 -4.565 -10.412 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.904 -5.209 -8.386 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.264 -5.563 -10.520 1.00 0.00 C ATOM 115 NE2 HIS A 23 -5.581 -5.973 -9.305 1.00 0.00 N ATOM 0 H HIS A 23 -0.777 -4.812 -8.447 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.008 -2.956 -10.355 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.068 -3.359 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.700 -2.272 -8.755 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.991 -4.057 -11.193 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.957 -5.303 -7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.642 -5.974 -11.444 1.00 0.00 H new ATOM 124 N LYS A 24 -0.508 -1.242 -9.405 1.00 0.00 N ATOM 125 CA LYS A 24 0.384 -0.213 -8.882 1.00 0.00 C ATOM 126 C LYS A 24 -0.388 0.751 -7.988 1.00 0.00 C ATOM 127 O LYS A 24 -1.229 1.514 -8.464 1.00 0.00 O ATOM 128 CB LYS A 24 1.045 0.552 -10.031 1.00 0.00 C ATOM 129 CG LYS A 24 2.126 1.519 -9.577 1.00 0.00 C ATOM 130 CD LYS A 24 2.318 2.646 -10.578 1.00 0.00 C ATOM 131 CE LYS A 24 3.792 2.970 -10.777 1.00 0.00 C ATOM 132 NZ LYS A 24 4.528 1.843 -11.409 1.00 0.00 N ATOM 0 H LYS A 24 -0.765 -1.120 -10.384 1.00 0.00 H new ATOM 0 HA LYS A 24 1.161 -0.696 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.479 -0.163 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.280 1.105 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.859 1.935 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.066 0.982 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.874 2.365 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.792 3.536 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.887 3.860 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.245 3.205 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.356 2.212 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.842 1.178 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.901 1.350 -12.077 1.00 0.00 H new ATOM 146 N VAL A 25 -0.107 0.703 -6.690 1.00 0.00 N ATOM 147 CA VAL A 25 -0.790 1.564 -5.731 1.00 0.00 C ATOM 148 C VAL A 25 0.181 2.519 -5.047 1.00 0.00 C ATOM 149 O VAL A 25 1.304 2.147 -4.706 1.00 0.00 O ATOM 150 CB VAL A 25 -1.527 0.741 -4.650 1.00 0.00 C ATOM 151 CG1 VAL A 25 -3.024 1.002 -4.708 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.233 -0.748 -4.794 1.00 0.00 C ATOM 0 H VAL A 25 0.587 0.079 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.520 2.140 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.158 1.060 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.526 0.414 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.216 2.061 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.405 0.718 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.765 -1.301 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.562 -1.091 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.162 -0.919 -4.690 1.00 0.00 H new ATOM 162 N THR A 26 -0.270 3.751 -4.839 1.00 0.00 N ATOM 163 CA THR A 26 0.540 4.767 -4.183 1.00 0.00 C ATOM 164 C THR A 26 -0.287 5.490 -3.121 1.00 0.00 C ATOM 165 O THR A 26 -1.172 6.281 -3.444 1.00 0.00 O ATOM 166 CB THR A 26 1.069 5.769 -5.211 1.00 0.00 C ATOM 167 OG1 THR A 26 1.869 5.115 -6.180 1.00 0.00 O ATOM 168 CG2 THR A 26 1.903 6.874 -4.600 1.00 0.00 C ATOM 0 H THR A 26 -1.198 4.070 -5.118 1.00 0.00 H new ATOM 0 HA THR A 26 1.388 4.282 -3.701 1.00 0.00 H new ATOM 0 HB THR A 26 0.182 6.214 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.197 5.771 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.245 7.548 -5.385 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.300 7.430 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.765 6.441 -4.092 1.00 0.00 H new ATOM 176 N LEU A 27 -0.006 5.201 -1.854 1.00 0.00 N ATOM 177 CA LEU A 27 -0.740 5.813 -0.750 1.00 0.00 C ATOM 178 C LEU A 27 0.016 6.996 -0.154 1.00 0.00 C ATOM 179 O LEU A 27 1.116 7.333 -0.589 1.00 0.00 O ATOM 180 CB LEU A 27 -1.007 4.777 0.343 1.00 0.00 C ATOM 181 CG LEU A 27 -1.949 3.637 -0.050 1.00 0.00 C ATOM 182 CD1 LEU A 27 -2.289 2.788 1.164 1.00 0.00 C ATOM 183 CD2 LEU A 27 -3.215 4.187 -0.692 1.00 0.00 C ATOM 0 H LEU A 27 0.723 4.548 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.685 6.181 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.054 4.348 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.425 5.288 1.210 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.442 3.006 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.960 1.982 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.375 2.365 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.777 3.408 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.873 3.362 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.727 4.841 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.953 4.753 -1.586 1.00 0.00 H new ATOM 195 N TYR A 28 -0.593 7.616 0.855 1.00 0.00 N ATOM 196 CA TYR A 28 0.006 8.758 1.537 1.00 0.00 C ATOM 197 C TYR A 28 -0.149 8.615 3.049 1.00 0.00 C ATOM 198 O TYR A 28 -1.215 8.244 3.539 1.00 0.00 O ATOM 199 CB TYR A 28 -0.646 10.060 1.067 1.00 0.00 C ATOM 200 CG TYR A 28 -0.474 10.330 -0.411 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.717 10.841 -0.910 1.00 0.00 C ATOM 202 CD2 TYR A 28 -1.505 10.073 -1.306 1.00 0.00 C ATOM 203 CE1 TYR A 28 0.876 11.090 -2.260 1.00 0.00 C ATOM 204 CE2 TYR A 28 -1.354 10.319 -2.658 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.162 10.828 -3.130 1.00 0.00 C ATOM 206 OH TYR A 28 -0.007 11.075 -4.474 1.00 0.00 O ATOM 0 H TYR A 28 -1.506 7.343 1.219 1.00 0.00 H new ATOM 0 HA TYR A 28 1.068 8.787 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.710 10.027 1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.223 10.891 1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.532 11.047 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.440 9.675 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.809 11.488 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.165 10.114 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.831 10.835 -4.948 1.00 0.00 H new ATOM 216 N LYS A 29 0.921 8.906 3.784 1.00 0.00 N ATOM 217 CA LYS A 29 0.897 8.800 5.240 1.00 0.00 C ATOM 218 C LYS A 29 0.683 10.162 5.891 1.00 0.00 C ATOM 219 O LYS A 29 0.832 11.201 5.249 1.00 0.00 O ATOM 220 CB LYS A 29 2.198 8.178 5.750 1.00 0.00 C ATOM 221 CG LYS A 29 1.983 7.039 6.733 1.00 0.00 C ATOM 222 CD LYS A 29 3.205 6.820 7.609 1.00 0.00 C ATOM 223 CE LYS A 29 3.017 7.432 8.988 1.00 0.00 C ATOM 224 NZ LYS A 29 4.294 7.963 9.540 1.00 0.00 N ATOM 0 H LYS A 29 1.812 9.216 3.397 1.00 0.00 H new ATOM 0 HA LYS A 29 0.061 8.156 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.773 7.810 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.798 8.952 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.119 7.257 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.757 6.123 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.397 5.752 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.081 7.259 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.284 8.237 8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.613 6.681 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.122 8.371 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.986 7.191 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.667 8.698 8.906 1.00 0.00 H new ATOM 238 N ASP A 30 0.341 10.144 7.175 1.00 0.00 N ATOM 239 CA ASP A 30 0.112 11.373 7.927 1.00 0.00 C ATOM 240 C ASP A 30 1.076 11.475 9.103 1.00 0.00 C ATOM 241 O ASP A 30 1.234 10.526 9.871 1.00 0.00 O ATOM 242 CB ASP A 30 -1.332 11.429 8.430 1.00 0.00 C ATOM 243 CG ASP A 30 -1.722 12.812 8.916 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.922 13.706 8.067 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.824 13.002 10.147 1.00 0.00 O ATOM 0 H ASP A 30 0.216 9.290 7.718 1.00 0.00 H new ATOM 0 HA ASP A 30 0.288 12.216 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.005 11.125 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.459 10.712 9.241 1.00 0.00 H new ATOM 250 N SER A 31 1.719 12.631 9.236 1.00 0.00 N ATOM 251 CA SER A 31 2.671 12.860 10.316 1.00 0.00 C ATOM 252 C SER A 31 2.009 12.684 11.679 1.00 0.00 C ATOM 253 O SER A 31 1.570 13.652 12.297 1.00 0.00 O ATOM 254 CB SER A 31 3.270 14.264 10.208 1.00 0.00 C ATOM 255 OG SER A 31 2.358 15.161 9.599 1.00 0.00 O ATOM 0 H SER A 31 1.597 13.425 8.607 1.00 0.00 H new ATOM 0 HA SER A 31 3.467 12.122 10.222 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.534 14.627 11.201 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.191 14.226 9.627 1.00 0.00 H new ATOM 0 HG SER A 31 2.763 16.052 9.543 1.00 0.00 H new ATOM 261 N GLY A 32 1.942 11.439 12.140 1.00 0.00 N ATOM 262 CA GLY A 32 1.331 11.157 13.426 1.00 0.00 C ATOM 263 C GLY A 32 0.877 9.716 13.545 1.00 0.00 C ATOM 264 O GLY A 32 1.038 9.091 14.594 1.00 0.00 O ATOM 0 H GLY A 32 2.300 10.621 11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.044 11.377 14.220 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.477 11.818 13.572 1.00 0.00 H new ATOM 268 N MET A 33 0.306 9.186 12.469 1.00 0.00 N ATOM 269 CA MET A 33 -0.174 7.808 12.457 1.00 0.00 C ATOM 270 C MET A 33 0.971 6.835 12.194 1.00 0.00 C ATOM 271 O MET A 33 2.046 7.233 11.743 1.00 0.00 O ATOM 272 CB MET A 33 -1.261 7.631 11.395 1.00 0.00 C ATOM 273 CG MET A 33 -2.285 8.756 11.379 1.00 0.00 C ATOM 274 SD MET A 33 -3.960 8.182 11.723 1.00 0.00 S ATOM 275 CE MET A 33 -4.525 9.443 12.862 1.00 0.00 C ATOM 0 H MET A 33 0.164 9.689 11.593 1.00 0.00 H new ATOM 0 HA MET A 33 -0.596 7.590 13.438 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.791 7.564 10.414 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.775 6.685 11.567 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.004 9.507 12.118 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.266 9.244 10.405 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.549 9.226 13.166 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.880 9.455 13.741 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.490 10.417 12.373 1.00 0.00 H new ATOM 285 N GLU A 34 0.734 5.558 12.476 1.00 0.00 N ATOM 286 CA GLU A 34 1.748 4.529 12.268 1.00 0.00 C ATOM 287 C GLU A 34 1.393 3.649 11.079 1.00 0.00 C ATOM 288 O GLU A 34 2.269 3.100 10.411 1.00 0.00 O ATOM 289 CB GLU A 34 1.905 3.673 13.527 1.00 0.00 C ATOM 290 CG GLU A 34 3.012 2.634 13.422 1.00 0.00 C ATOM 291 CD GLU A 34 2.478 1.217 13.355 1.00 0.00 C ATOM 292 OE1 GLU A 34 1.470 0.995 12.652 1.00 0.00 O ATOM 293 OE2 GLU A 34 3.067 0.329 14.005 1.00 0.00 O ATOM 0 H GLU A 34 -0.150 5.211 12.849 1.00 0.00 H new ATOM 0 HA GLU A 34 2.695 5.026 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.109 4.325 14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.962 3.167 13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.611 2.835 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.676 2.728 14.281 1.00 0.00 H new ATOM 300 N ASP A 35 0.102 3.523 10.820 1.00 0.00 N ATOM 301 CA ASP A 35 -0.385 2.714 9.709 1.00 0.00 C ATOM 302 C ASP A 35 -0.383 3.520 8.413 1.00 0.00 C ATOM 303 O ASP A 35 -0.205 4.737 8.429 1.00 0.00 O ATOM 304 CB ASP A 35 -1.794 2.199 10.002 1.00 0.00 C ATOM 305 CG ASP A 35 -1.798 1.077 11.021 1.00 0.00 C ATOM 306 OD1 ASP A 35 -1.198 0.017 10.742 1.00 0.00 O ATOM 307 OD2 ASP A 35 -2.401 1.257 12.101 1.00 0.00 O ATOM 0 H ASP A 35 -0.633 3.972 11.366 1.00 0.00 H new ATOM 0 HA ASP A 35 0.285 1.862 9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.410 3.021 10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.249 1.847 9.076 1.00 0.00 H new ATOM 312 N PHE A 36 -0.583 2.832 7.293 1.00 0.00 N ATOM 313 CA PHE A 36 -0.604 3.489 5.991 1.00 0.00 C ATOM 314 C PHE A 36 -1.953 3.304 5.305 1.00 0.00 C ATOM 315 O PHE A 36 -2.038 3.291 4.077 1.00 0.00 O ATOM 316 CB PHE A 36 0.515 2.949 5.100 1.00 0.00 C ATOM 317 CG PHE A 36 1.309 4.030 4.430 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.743 4.807 3.430 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.620 4.274 4.800 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.474 5.806 2.815 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.355 5.271 4.189 1.00 0.00 C ATOM 322 CZ PHE A 36 2.781 6.038 3.196 1.00 0.00 C ATOM 0 H PHE A 36 -0.732 1.823 7.261 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.444 4.555 6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.185 2.334 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.083 2.299 4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.279 4.630 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.074 3.677 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.023 6.405 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.377 5.450 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.353 6.819 2.717 1.00 0.00 H new ATOM 332 N GLY A 37 -3.004 3.169 6.105 1.00 0.00 N ATOM 333 CA GLY A 37 -4.333 2.993 5.552 1.00 0.00 C ATOM 334 C GLY A 37 -4.717 1.535 5.376 1.00 0.00 C ATOM 335 O GLY A 37 -5.786 1.236 4.844 1.00 0.00 O ATOM 0 H GLY A 37 -2.960 3.178 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.059 3.477 6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.388 3.496 4.587 1.00 0.00 H new ATOM 339 N PHE A 38 -3.853 0.626 5.818 1.00 0.00 N ATOM 340 CA PHE A 38 -4.134 -0.799 5.696 1.00 0.00 C ATOM 341 C PHE A 38 -3.071 -1.641 6.393 1.00 0.00 C ATOM 342 O PHE A 38 -1.877 -1.357 6.295 1.00 0.00 O ATOM 343 CB PHE A 38 -4.245 -1.197 4.220 1.00 0.00 C ATOM 344 CG PHE A 38 -2.936 -1.207 3.474 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.013 -2.220 3.680 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.637 -0.212 2.556 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.816 -2.240 2.989 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.443 -0.229 1.857 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.531 -1.244 2.076 1.00 0.00 C ATOM 0 H PHE A 38 -2.961 0.848 6.260 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.087 -0.992 6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.692 -2.189 4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.927 -0.508 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.232 -3.004 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.344 0.586 2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.105 -3.034 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.224 0.550 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.403 -1.258 1.534 1.00 0.00 H new ATOM 359 N SER A 39 -3.514 -2.686 7.089 1.00 0.00 N ATOM 360 CA SER A 39 -2.602 -3.578 7.793 1.00 0.00 C ATOM 361 C SER A 39 -2.364 -4.839 6.974 1.00 0.00 C ATOM 362 O SER A 39 -3.247 -5.282 6.241 1.00 0.00 O ATOM 363 CB SER A 39 -3.165 -3.944 9.167 1.00 0.00 C ATOM 364 OG SER A 39 -3.624 -2.792 9.854 1.00 0.00 O ATOM 0 H SER A 39 -4.499 -2.934 7.179 1.00 0.00 H new ATOM 0 HA SER A 39 -1.652 -3.062 7.932 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.985 -4.652 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.396 -4.441 9.758 1.00 0.00 H new ATOM 0 HG SER A 39 -3.981 -3.053 10.729 1.00 0.00 H new ATOM 370 N VAL A 40 -1.167 -5.406 7.091 1.00 0.00 N ATOM 371 CA VAL A 40 -0.818 -6.612 6.350 1.00 0.00 C ATOM 372 C VAL A 40 -0.652 -7.812 7.277 1.00 0.00 C ATOM 373 O VAL A 40 -0.504 -7.659 8.489 1.00 0.00 O ATOM 374 CB VAL A 40 0.480 -6.413 5.542 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.318 -5.276 4.546 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.659 -6.156 6.469 1.00 0.00 C ATOM 0 H VAL A 40 -0.424 -5.050 7.691 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.642 -6.809 5.664 1.00 0.00 H new ATOM 0 HB VAL A 40 0.682 -7.329 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.244 -5.150 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.495 -5.508 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.089 -4.354 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.564 -6.019 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.470 -5.258 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.788 -7.007 7.138 1.00 0.00 H new ATOM 386 N ALA A 41 -0.675 -9.009 6.695 1.00 0.00 N ATOM 387 CA ALA A 41 -0.525 -10.240 7.462 1.00 0.00 C ATOM 388 C ALA A 41 0.443 -11.196 6.773 1.00 0.00 C ATOM 389 O ALA A 41 0.873 -10.954 5.646 1.00 0.00 O ATOM 390 CB ALA A 41 -1.878 -10.908 7.660 1.00 0.00 C ATOM 0 H ALA A 41 -0.796 -9.151 5.692 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.114 -9.985 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.750 -11.826 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.542 -10.232 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.312 -11.145 6.689 1.00 0.00 H new ATOM 396 N ASP A 42 0.784 -12.284 7.456 1.00 0.00 N ATOM 397 CA ASP A 42 1.705 -13.274 6.906 1.00 0.00 C ATOM 398 C ASP A 42 0.974 -14.267 6.010 1.00 0.00 C ATOM 399 O ASP A 42 -0.252 -14.375 6.053 1.00 0.00 O ATOM 400 CB ASP A 42 2.421 -14.017 8.036 1.00 0.00 C ATOM 401 CG ASP A 42 3.818 -13.482 8.287 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.105 -12.346 7.857 1.00 0.00 O ATOM 403 OD2 ASP A 42 4.625 -14.202 8.913 1.00 0.00 O ATOM 0 H ASP A 42 0.437 -12.503 8.390 1.00 0.00 H new ATOM 0 HA ASP A 42 2.443 -12.747 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.834 -13.934 8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.480 -15.077 7.790 1.00 0.00 H new ATOM 408 N GLY A 43 1.738 -14.993 5.198 1.00 0.00 N ATOM 409 CA GLY A 43 1.152 -15.972 4.301 1.00 0.00 C ATOM 410 C GLY A 43 1.400 -17.396 4.761 1.00 0.00 C ATOM 411 O GLY A 43 2.547 -17.811 4.926 1.00 0.00 O ATOM 0 H GLY A 43 2.754 -14.920 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.078 -15.798 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.565 -15.838 3.301 1.00 0.00 H new ATOM 415 N LEU A 44 0.323 -18.145 4.975 1.00 0.00 N ATOM 416 CA LEU A 44 0.431 -19.528 5.423 1.00 0.00 C ATOM 417 C LEU A 44 0.391 -20.503 4.251 1.00 0.00 C ATOM 418 O LEU A 44 0.354 -21.717 4.450 1.00 0.00 O ATOM 419 CB LEU A 44 -0.691 -19.853 6.411 1.00 0.00 C ATOM 420 CG LEU A 44 -0.674 -19.032 7.702 1.00 0.00 C ATOM 421 CD1 LEU A 44 -2.090 -18.796 8.202 1.00 0.00 C ATOM 422 CD2 LEU A 44 0.158 -19.732 8.766 1.00 0.00 C ATOM 0 H LEU A 44 -0.634 -17.817 4.845 1.00 0.00 H new ATOM 0 HA LEU A 44 1.395 -19.640 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.649 -19.700 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.632 -20.910 6.670 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.219 -18.064 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.059 -18.211 9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.657 -18.254 7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.571 -19.754 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.160 -19.135 9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.269 -20.713 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.181 -19.851 8.408 1.00 0.00 H new ATOM 434 N LEU A 45 0.398 -19.975 3.030 1.00 0.00 N ATOM 435 CA LEU A 45 0.360 -20.819 1.842 1.00 0.00 C ATOM 436 C LEU A 45 0.960 -20.111 0.636 1.00 0.00 C ATOM 437 O LEU A 45 1.653 -20.720 -0.178 1.00 0.00 O ATOM 438 CB LEU A 45 -1.075 -21.245 1.537 1.00 0.00 C ATOM 439 CG LEU A 45 -1.540 -22.517 2.251 1.00 0.00 C ATOM 440 CD1 LEU A 45 -2.756 -22.232 3.120 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.848 -23.615 1.242 1.00 0.00 C ATOM 0 H LEU A 45 0.429 -18.974 2.839 1.00 0.00 H new ATOM 0 HA LEU A 45 0.961 -21.705 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.745 -20.429 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.173 -21.394 0.462 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.732 -22.861 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.070 -23.149 3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.501 -21.482 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.570 -21.861 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.177 -24.511 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.637 -23.280 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.951 -23.842 0.666 1.00 0.00 H new ATOM 453 N GLU A 46 0.686 -18.823 0.530 1.00 0.00 N ATOM 454 CA GLU A 46 1.193 -18.018 -0.577 1.00 0.00 C ATOM 455 C GLU A 46 2.565 -17.421 -0.256 1.00 0.00 C ATOM 456 O GLU A 46 2.994 -16.469 -0.907 1.00 0.00 O ATOM 457 CB GLU A 46 0.207 -16.897 -0.920 1.00 0.00 C ATOM 458 CG GLU A 46 -1.253 -17.305 -0.799 1.00 0.00 C ATOM 459 CD GLU A 46 -1.596 -18.504 -1.662 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.277 -18.478 -2.869 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.187 -19.468 -1.130 1.00 0.00 O ATOM 0 H GLU A 46 0.113 -18.307 1.198 1.00 0.00 H new ATOM 0 HA GLU A 46 1.302 -18.678 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.393 -16.048 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.397 -16.558 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.477 -17.535 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.886 -16.464 -1.083 1.00 0.00 H new ATOM 468 N LYS A 47 3.243 -17.989 0.747 1.00 0.00 N ATOM 469 CA LYS A 47 4.570 -17.524 1.167 1.00 0.00 C ATOM 470 C LYS A 47 4.779 -16.040 0.872 1.00 0.00 C ATOM 471 O LYS A 47 5.434 -15.674 -0.105 1.00 0.00 O ATOM 472 CB LYS A 47 5.655 -18.349 0.474 1.00 0.00 C ATOM 473 CG LYS A 47 6.229 -19.455 1.345 1.00 0.00 C ATOM 474 CD LYS A 47 7.013 -18.889 2.518 1.00 0.00 C ATOM 475 CE LYS A 47 7.129 -19.897 3.650 1.00 0.00 C ATOM 476 NZ LYS A 47 8.237 -19.559 4.583 1.00 0.00 N ATOM 0 H LYS A 47 2.891 -18.779 1.288 1.00 0.00 H new ATOM 0 HA LYS A 47 4.637 -17.657 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.241 -18.790 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.463 -17.685 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.420 -20.084 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.879 -20.092 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.009 -18.599 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.523 -17.986 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.189 -19.934 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.294 -20.891 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.282 -20.270 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.138 -19.549 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.067 -18.621 4.999 1.00 0.00 H new ATOM 490 N GLY A 48 4.217 -15.191 1.724 1.00 0.00 N ATOM 491 CA GLY A 48 4.350 -13.758 1.541 1.00 0.00 C ATOM 492 C GLY A 48 3.483 -12.968 2.502 1.00 0.00 C ATOM 493 O GLY A 48 3.009 -13.503 3.504 1.00 0.00 O ATOM 0 H GLY A 48 3.671 -15.470 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.393 -13.472 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.081 -13.499 0.517 1.00 0.00 H new ATOM 497 N VAL A 49 3.276 -11.690 2.196 1.00 0.00 N ATOM 498 CA VAL A 49 2.462 -10.825 3.039 1.00 0.00 C ATOM 499 C VAL A 49 1.417 -10.083 2.210 1.00 0.00 C ATOM 500 O VAL A 49 1.702 -9.617 1.107 1.00 0.00 O ATOM 501 CB VAL A 49 3.333 -9.799 3.793 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.488 -8.951 4.733 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.442 -10.505 4.558 1.00 0.00 C ATOM 0 H VAL A 49 3.662 -11.232 1.370 1.00 0.00 H new ATOM 0 HA VAL A 49 1.959 -11.464 3.765 1.00 0.00 H new ATOM 0 HB VAL A 49 3.787 -9.134 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.127 -8.236 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.734 -8.413 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.998 -9.595 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.047 -9.767 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.004 -11.196 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.070 -11.058 3.860 1.00 0.00 H new ATOM 513 N TYR A 50 0.206 -9.980 2.748 1.00 0.00 N ATOM 514 CA TYR A 50 -0.882 -9.296 2.055 1.00 0.00 C ATOM 515 C TYR A 50 -1.657 -8.401 3.015 1.00 0.00 C ATOM 516 O TYR A 50 -1.521 -8.518 4.232 1.00 0.00 O ATOM 517 CB TYR A 50 -1.835 -10.306 1.402 1.00 0.00 C ATOM 518 CG TYR A 50 -1.378 -11.740 1.520 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.328 -12.216 0.749 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.992 -12.613 2.406 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.098 -13.524 0.854 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.573 -13.923 2.520 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.528 -14.375 1.743 1.00 0.00 C ATOM 524 OH TYR A 50 -0.105 -15.680 1.857 1.00 0.00 O ATOM 0 H TYR A 50 -0.047 -10.360 3.660 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.440 -8.676 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.820 -10.210 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.947 -10.056 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.165 -11.551 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.811 -12.262 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.916 -13.880 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.061 -14.591 3.214 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.883 -16.269 1.953 1.00 0.00 H new ATOM 534 N VAL A 51 -2.470 -7.512 2.458 1.00 0.00 N ATOM 535 CA VAL A 51 -3.267 -6.599 3.266 1.00 0.00 C ATOM 536 C VAL A 51 -4.410 -7.335 3.956 1.00 0.00 C ATOM 537 O VAL A 51 -5.255 -7.949 3.303 1.00 0.00 O ATOM 538 CB VAL A 51 -3.841 -5.450 2.414 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.653 -4.494 3.273 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.721 -4.710 1.699 1.00 0.00 C ATOM 0 H VAL A 51 -2.594 -7.404 1.451 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.603 -6.179 4.022 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.506 -5.878 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.048 -3.691 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.479 -5.034 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.015 -4.071 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.142 -3.902 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.031 -4.296 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.186 -5.401 1.048 1.00 0.00 H new ATOM 550 N LYS A 52 -4.425 -7.269 5.282 1.00 0.00 N ATOM 551 CA LYS A 52 -5.454 -7.926 6.076 1.00 0.00 C ATOM 552 C LYS A 52 -6.664 -7.019 6.253 1.00 0.00 C ATOM 553 O LYS A 52 -7.798 -7.488 6.362 1.00 0.00 O ATOM 554 CB LYS A 52 -4.879 -8.324 7.441 1.00 0.00 C ATOM 555 CG LYS A 52 -5.920 -8.780 8.454 1.00 0.00 C ATOM 556 CD LYS A 52 -5.853 -10.281 8.687 1.00 0.00 C ATOM 557 CE LYS A 52 -6.205 -10.640 10.122 1.00 0.00 C ATOM 558 NZ LYS A 52 -5.038 -10.483 11.034 1.00 0.00 N ATOM 0 H LYS A 52 -3.731 -6.763 5.832 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.781 -8.823 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.155 -9.126 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.336 -7.474 7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.764 -8.257 9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.915 -8.510 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.538 -10.787 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.850 -10.641 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.022 -10.006 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.562 -11.669 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.318 -10.737 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.267 -11.107 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.713 -9.495 11.015 1.00 0.00 H new ATOM 572 N ASN A 53 -6.418 -5.721 6.283 1.00 0.00 N ATOM 573 CA ASN A 53 -7.490 -4.746 6.450 1.00 0.00 C ATOM 574 C ASN A 53 -7.080 -3.373 5.932 1.00 0.00 C ATOM 575 O ASN A 53 -5.898 -3.030 5.915 1.00 0.00 O ATOM 576 CB ASN A 53 -7.890 -4.647 7.924 1.00 0.00 C ATOM 577 CG ASN A 53 -8.713 -5.837 8.380 1.00 0.00 C ATOM 578 OD1 ASN A 53 -9.894 -5.951 8.051 1.00 0.00 O ATOM 579 ND2 ASN A 53 -8.091 -6.729 9.141 1.00 0.00 N ATOM 0 H ASN A 53 -5.487 -5.314 6.194 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.344 -5.088 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.992 -4.573 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.460 -3.732 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.593 -7.550 9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.111 -6.593 9.389 1.00 0.00 H new ATOM 586 N ILE A 54 -8.070 -2.591 5.509 1.00 0.00 N ATOM 587 CA ILE A 54 -7.825 -1.255 4.989 1.00 0.00 C ATOM 588 C ILE A 54 -8.790 -0.243 5.602 1.00 0.00 C ATOM 589 O ILE A 54 -9.965 -0.543 5.812 1.00 0.00 O ATOM 590 CB ILE A 54 -7.971 -1.228 3.457 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.103 -2.329 2.825 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.616 0.152 2.913 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.286 -1.882 1.629 1.00 0.00 C ATOM 0 H ILE A 54 -9.053 -2.864 5.518 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.804 -0.983 5.258 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.009 -1.427 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.426 -2.720 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.749 -3.152 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.724 0.154 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.284 0.897 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.586 0.392 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.706 -2.723 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.954 -1.520 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.610 -1.081 1.929 1.00 0.00 H new ATOM 605 N ARG A 55 -8.287 0.953 5.887 1.00 0.00 N ATOM 606 CA ARG A 55 -9.104 2.007 6.474 1.00 0.00 C ATOM 607 C ARG A 55 -10.200 2.447 5.503 1.00 0.00 C ATOM 608 O ARG A 55 -9.907 2.952 4.418 1.00 0.00 O ATOM 609 CB ARG A 55 -8.232 3.205 6.854 1.00 0.00 C ATOM 610 CG ARG A 55 -8.602 3.828 8.191 1.00 0.00 C ATOM 611 CD ARG A 55 -7.522 3.597 9.236 1.00 0.00 C ATOM 612 NE ARG A 55 -8.085 3.306 10.552 1.00 0.00 N ATOM 613 CZ ARG A 55 -7.401 2.739 11.543 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.129 2.401 11.371 1.00 0.00 N ATOM 615 NH2 ARG A 55 -7.989 2.510 12.708 1.00 0.00 N ATOM 0 H ARG A 55 -7.316 1.216 5.720 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.576 1.611 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.189 2.889 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.312 3.963 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.761 4.899 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.544 3.406 8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.886 2.769 8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.886 4.480 9.301 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.060 3.552 10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.671 2.576 10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.609 1.967 12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.966 2.768 12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.465 2.075 13.467 1.00 0.00 H new ATOM 629 N PRO A 56 -11.480 2.260 5.873 1.00 0.00 N ATOM 630 CA PRO A 56 -12.611 2.641 5.020 1.00 0.00 C ATOM 631 C PRO A 56 -12.529 4.092 4.555 1.00 0.00 C ATOM 632 O PRO A 56 -12.252 4.993 5.345 1.00 0.00 O ATOM 633 CB PRO A 56 -13.828 2.440 5.927 1.00 0.00 C ATOM 634 CG PRO A 56 -13.393 1.421 6.921 1.00 0.00 C ATOM 635 CD PRO A 56 -11.927 1.663 7.146 1.00 0.00 C ATOM 0 HA PRO A 56 -12.642 2.051 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.117 3.371 6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.693 2.096 5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.952 1.520 7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.569 0.412 6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.755 2.335 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.396 0.737 7.364 1.00 0.00 H new ATOM 643 N ALA A 57 -12.773 4.303 3.263 1.00 0.00 N ATOM 644 CA ALA A 57 -12.730 5.641 2.671 1.00 0.00 C ATOM 645 C ALA A 57 -11.534 6.445 3.172 1.00 0.00 C ATOM 646 O ALA A 57 -11.593 7.670 3.273 1.00 0.00 O ATOM 647 CB ALA A 57 -14.024 6.384 2.960 1.00 0.00 C ATOM 0 H ALA A 57 -13.004 3.561 2.602 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.617 5.522 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.980 7.378 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.863 5.833 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.158 6.475 4.038 1.00 0.00 H new ATOM 653 N GLY A 58 -10.448 5.745 3.474 1.00 0.00 N ATOM 654 CA GLY A 58 -9.247 6.404 3.950 1.00 0.00 C ATOM 655 C GLY A 58 -8.139 6.369 2.915 1.00 0.00 C ATOM 656 O GLY A 58 -8.406 6.150 1.734 1.00 0.00 O ATOM 0 H GLY A 58 -10.377 4.730 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.476 7.439 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.905 5.921 4.865 1.00 0.00 H new ATOM 660 N PRO A 59 -6.877 6.575 3.322 1.00 0.00 N ATOM 661 CA PRO A 59 -5.741 6.553 2.401 1.00 0.00 C ATOM 662 C PRO A 59 -5.739 5.297 1.534 1.00 0.00 C ATOM 663 O PRO A 59 -5.842 5.375 0.309 1.00 0.00 O ATOM 664 CB PRO A 59 -4.510 6.576 3.322 1.00 0.00 C ATOM 665 CG PRO A 59 -5.032 6.357 4.706 1.00 0.00 C ATOM 666 CD PRO A 59 -6.453 6.838 4.702 1.00 0.00 C ATOM 0 HA PRO A 59 -5.768 7.390 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.799 5.797 3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.984 7.528 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.979 5.303 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.438 6.906 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.066 6.298 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.523 7.896 4.953 1.00 0.00 H new ATOM 674 N GLY A 60 -5.627 4.140 2.179 1.00 0.00 N ATOM 675 CA GLY A 60 -5.619 2.883 1.454 1.00 0.00 C ATOM 676 C GLY A 60 -6.855 2.690 0.593 1.00 0.00 C ATOM 677 O GLY A 60 -6.775 2.116 -0.494 1.00 0.00 O ATOM 0 H GLY A 60 -5.542 4.051 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.732 2.839 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.545 2.060 2.165 1.00 0.00 H new ATOM 681 N ASP A 61 -8.001 3.173 1.070 1.00 0.00 N ATOM 682 CA ASP A 61 -9.245 3.048 0.328 1.00 0.00 C ATOM 683 C ASP A 61 -9.247 4.000 -0.858 1.00 0.00 C ATOM 684 O ASP A 61 -9.816 3.704 -1.909 1.00 0.00 O ATOM 685 CB ASP A 61 -10.442 3.338 1.236 1.00 0.00 C ATOM 686 CG ASP A 61 -11.718 2.695 0.729 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.875 1.469 0.907 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.560 3.418 0.157 1.00 0.00 O ATOM 0 H ASP A 61 -8.089 3.653 1.966 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.327 2.025 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.229 2.974 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.586 4.416 1.311 1.00 0.00 H new ATOM 693 N LEU A 62 -8.600 5.145 -0.682 1.00 0.00 N ATOM 694 CA LEU A 62 -8.518 6.143 -1.734 1.00 0.00 C ATOM 695 C LEU A 62 -7.559 5.688 -2.831 1.00 0.00 C ATOM 696 O LEU A 62 -7.697 6.075 -3.991 1.00 0.00 O ATOM 697 CB LEU A 62 -8.064 7.488 -1.164 1.00 0.00 C ATOM 698 CG LEU A 62 -9.140 8.260 -0.398 1.00 0.00 C ATOM 699 CD1 LEU A 62 -8.606 9.608 0.064 1.00 0.00 C ATOM 700 CD2 LEU A 62 -10.378 8.445 -1.262 1.00 0.00 C ATOM 0 H LEU A 62 -8.124 5.403 0.182 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.511 6.264 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.218 7.317 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.705 8.111 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.417 7.681 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.386 10.142 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.748 9.455 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.300 10.195 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.134 8.996 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.114 9.002 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.775 7.469 -1.543 1.00 0.00 H new ATOM 712 N GLY A 63 -6.589 4.860 -2.451 1.00 0.00 N ATOM 713 CA GLY A 63 -5.623 4.361 -3.411 1.00 0.00 C ATOM 714 C GLY A 63 -6.203 3.282 -4.305 1.00 0.00 C ATOM 715 O GLY A 63 -6.109 3.366 -5.530 1.00 0.00 O ATOM 0 H GLY A 63 -6.456 4.527 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.266 5.187 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.758 3.963 -2.880 1.00 0.00 H new ATOM 719 N GLY A 64 -6.807 2.267 -3.693 1.00 0.00 N ATOM 720 CA GLY A 64 -7.398 1.187 -4.461 1.00 0.00 C ATOM 721 C GLY A 64 -7.065 -0.187 -3.907 1.00 0.00 C ATOM 722 O GLY A 64 -7.611 -1.192 -4.364 1.00 0.00 O ATOM 0 H GLY A 64 -6.897 2.174 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.481 1.312 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.052 1.250 -5.493 1.00 0.00 H new ATOM 726 N LEU A 65 -6.169 -0.237 -2.926 1.00 0.00 N ATOM 727 CA LEU A 65 -5.772 -1.503 -2.320 1.00 0.00 C ATOM 728 C LEU A 65 -6.981 -2.250 -1.766 1.00 0.00 C ATOM 729 O LEU A 65 -7.780 -1.690 -1.015 1.00 0.00 O ATOM 730 CB LEU A 65 -4.754 -1.264 -1.203 1.00 0.00 C ATOM 731 CG LEU A 65 -3.476 -0.540 -1.637 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.569 0.943 -1.312 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.258 -1.159 -0.969 1.00 0.00 C ATOM 0 H LEU A 65 -5.705 0.583 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.314 -2.115 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.232 -0.684 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.480 -2.226 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.367 -0.650 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.653 1.443 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.419 1.378 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.702 1.072 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.360 -0.631 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.358 -1.081 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.182 -2.209 -1.252 1.00 0.00 H new ATOM 745 N LYS A 66 -7.111 -3.519 -2.142 1.00 0.00 N ATOM 746 CA LYS A 66 -8.223 -4.344 -1.683 1.00 0.00 C ATOM 747 C LYS A 66 -7.720 -5.515 -0.840 1.00 0.00 C ATOM 748 O LYS A 66 -6.523 -5.803 -0.817 1.00 0.00 O ATOM 749 CB LYS A 66 -9.025 -4.866 -2.877 1.00 0.00 C ATOM 750 CG LYS A 66 -10.240 -4.017 -3.212 1.00 0.00 C ATOM 751 CD LYS A 66 -11.315 -4.834 -3.909 1.00 0.00 C ATOM 752 CE LYS A 66 -11.219 -4.708 -5.422 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.563 -4.660 -6.061 1.00 0.00 N ATOM 0 H LYS A 66 -6.460 -3.998 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.871 -3.725 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.373 -4.913 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.351 -5.885 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.646 -3.584 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.940 -3.187 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.219 -5.882 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.299 -4.502 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.663 -3.805 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.657 -5.552 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.454 -4.574 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.084 -5.532 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.090 -3.840 -5.699 1.00 0.00 H new ATOM 767 N PRO A 67 -8.630 -6.205 -0.135 1.00 0.00 N ATOM 768 CA PRO A 67 -8.274 -7.349 0.712 1.00 0.00 C ATOM 769 C PRO A 67 -7.426 -8.377 -0.028 1.00 0.00 C ATOM 770 O PRO A 67 -7.697 -8.699 -1.184 1.00 0.00 O ATOM 771 CB PRO A 67 -9.630 -7.948 1.091 1.00 0.00 C ATOM 772 CG PRO A 67 -10.583 -6.806 1.006 1.00 0.00 C ATOM 773 CD PRO A 67 -10.079 -5.927 -0.106 1.00 0.00 C ATOM 0 HA PRO A 67 -7.672 -7.048 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.912 -8.751 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.609 -8.373 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.594 -7.156 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.622 -6.259 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.554 -6.171 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.282 -4.874 0.091 1.00 0.00 H new ATOM 781 N TYR A 68 -6.395 -8.885 0.651 1.00 0.00 N ATOM 782 CA TYR A 68 -5.487 -9.882 0.076 1.00 0.00 C ATOM 783 C TYR A 68 -4.375 -9.216 -0.734 1.00 0.00 C ATOM 784 O TYR A 68 -3.559 -9.896 -1.353 1.00 0.00 O ATOM 785 CB TYR A 68 -6.246 -10.888 -0.797 1.00 0.00 C ATOM 786 CG TYR A 68 -7.543 -11.360 -0.181 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.564 -11.927 1.087 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.745 -11.239 -0.865 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.747 -12.360 1.655 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.932 -11.669 -0.304 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.928 -12.228 0.957 1.00 0.00 C ATOM 792 OH TYR A 68 -11.108 -12.659 1.520 1.00 0.00 O ATOM 0 H TYR A 68 -6.166 -8.619 1.609 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.032 -10.422 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.457 -10.432 -1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.606 -11.751 -0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.641 -12.031 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.752 -10.801 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.746 -12.800 2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.858 -11.568 -0.850 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.847 -12.493 0.898 1.00 0.00 H new ATOM 802 N ASP A 69 -4.350 -7.884 -0.722 1.00 0.00 N ATOM 803 CA ASP A 69 -3.340 -7.122 -1.448 1.00 0.00 C ATOM 804 C ASP A 69 -1.939 -7.599 -1.087 1.00 0.00 C ATOM 805 O ASP A 69 -1.320 -7.094 -0.150 1.00 0.00 O ATOM 806 CB ASP A 69 -3.482 -5.630 -1.141 1.00 0.00 C ATOM 807 CG ASP A 69 -4.210 -4.880 -2.238 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.123 -5.468 -2.854 1.00 0.00 O ATOM 809 OD2 ASP A 69 -3.870 -3.703 -2.479 1.00 0.00 O ATOM 0 H ASP A 69 -5.022 -7.309 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.493 -7.281 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.020 -5.505 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.492 -5.195 -1.002 1.00 0.00 H new ATOM 814 N ARG A 70 -1.448 -8.577 -1.834 1.00 0.00 N ATOM 815 CA ARG A 70 -0.123 -9.131 -1.596 1.00 0.00 C ATOM 816 C ARG A 70 0.957 -8.207 -2.148 1.00 0.00 C ATOM 817 O ARG A 70 1.287 -8.261 -3.333 1.00 0.00 O ATOM 818 CB ARG A 70 -0.023 -10.516 -2.234 1.00 0.00 C ATOM 819 CG ARG A 70 1.373 -11.118 -2.189 1.00 0.00 C ATOM 820 CD ARG A 70 1.414 -12.483 -2.856 1.00 0.00 C ATOM 821 NE ARG A 70 2.597 -12.645 -3.697 1.00 0.00 N ATOM 822 CZ ARG A 70 2.715 -13.577 -4.640 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.726 -14.434 -4.863 1.00 0.00 N ATOM 824 NH2 ARG A 70 3.825 -13.654 -5.362 1.00 0.00 N ATOM 0 H ARG A 70 -1.949 -9.005 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 70 0.033 -9.222 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.714 -11.189 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.346 -10.450 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.075 -10.448 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.698 -11.209 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.403 -13.260 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.518 -12.618 -3.461 1.00 0.00 H new ATOM 0 HE ARG A 70 3.379 -12.006 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.870 -14.380 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.822 -15.146 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.589 -12.999 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.915 -14.368 -6.084 1.00 0.00 H new ATOM 838 N LEU A 71 1.506 -7.358 -1.283 1.00 0.00 N ATOM 839 CA LEU A 71 2.549 -6.421 -1.687 1.00 0.00 C ATOM 840 C LEU A 71 3.716 -7.155 -2.339 1.00 0.00 C ATOM 841 O LEU A 71 4.493 -7.825 -1.661 1.00 0.00 O ATOM 842 CB LEU A 71 3.053 -5.628 -0.479 1.00 0.00 C ATOM 843 CG LEU A 71 1.983 -4.834 0.276 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.839 -5.346 1.702 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.317 -3.348 0.274 1.00 0.00 C ATOM 0 H LEU A 71 1.246 -7.300 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 71 2.117 -5.733 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.527 -6.320 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.825 -4.936 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 71 1.031 -4.974 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.074 -4.768 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.550 -6.397 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.790 -5.240 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.545 -2.801 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.281 -3.191 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.365 -2.987 -0.753 1.00 0.00 H new ATOM 857 N LEU A 72 3.836 -7.022 -3.655 1.00 0.00 N ATOM 858 CA LEU A 72 4.914 -7.673 -4.384 1.00 0.00 C ATOM 859 C LEU A 72 6.185 -6.832 -4.338 1.00 0.00 C ATOM 860 O LEU A 72 7.203 -7.257 -3.794 1.00 0.00 O ATOM 861 CB LEU A 72 4.508 -7.934 -5.837 1.00 0.00 C ATOM 862 CG LEU A 72 3.238 -8.773 -6.044 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.323 -9.538 -7.356 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.002 -9.740 -4.889 1.00 0.00 C ATOM 0 H LEU A 72 3.203 -6.472 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 72 5.113 -8.630 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.369 -6.973 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.336 -8.435 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 72 2.392 -8.086 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.417 -10.129 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.424 -8.834 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.189 -10.200 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.094 -10.314 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.850 -10.420 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.893 -9.179 -3.961 1.00 0.00 H new ATOM 876 N GLN A 73 6.117 -5.635 -4.914 1.00 0.00 N ATOM 877 CA GLN A 73 7.265 -4.733 -4.939 1.00 0.00 C ATOM 878 C GLN A 73 6.938 -3.415 -4.243 1.00 0.00 C ATOM 879 O GLN A 73 6.056 -2.675 -4.680 1.00 0.00 O ATOM 880 CB GLN A 73 7.700 -4.470 -6.383 1.00 0.00 C ATOM 881 CG GLN A 73 7.763 -5.724 -7.237 1.00 0.00 C ATOM 882 CD GLN A 73 8.632 -5.550 -8.467 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.180 -5.748 -9.594 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.888 -5.177 -8.254 1.00 0.00 N ATOM 0 H GLN A 73 5.281 -5.268 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 73 8.084 -5.211 -4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.006 -3.764 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.681 -3.995 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.150 -6.548 -6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.755 -6.000 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.220 -5.024 -7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.521 -5.043 -9.043 1.00 0.00 H new ATOM 893 N VAL A 74 7.657 -3.126 -3.163 1.00 0.00 N ATOM 894 CA VAL A 74 7.443 -1.896 -2.409 1.00 0.00 C ATOM 895 C VAL A 74 8.592 -0.916 -2.617 1.00 0.00 C ATOM 896 O VAL A 74 9.703 -1.136 -2.142 1.00 0.00 O ATOM 897 CB VAL A 74 7.295 -2.179 -0.902 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.905 -0.913 -0.155 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.275 -3.281 -0.661 1.00 0.00 C ATOM 0 H VAL A 74 8.393 -3.727 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 74 6.519 -1.455 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 74 8.259 -2.517 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.805 -1.134 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.675 -0.155 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.955 -0.542 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.185 -3.466 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.308 -2.975 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.600 -4.193 -1.161 1.00 0.00 H new ATOM 909 N ASN A 75 8.318 0.168 -3.332 1.00 0.00 N ATOM 910 CA ASN A 75 9.335 1.178 -3.598 1.00 0.00 C ATOM 911 C ASN A 75 10.462 0.597 -4.447 1.00 0.00 C ATOM 912 O ASN A 75 11.623 0.983 -4.299 1.00 0.00 O ATOM 913 CB ASN A 75 9.895 1.735 -2.286 1.00 0.00 C ATOM 914 CG ASN A 75 9.206 3.016 -1.861 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.830 4.075 -1.784 1.00 0.00 O ATOM 916 ND2 ASN A 75 7.910 2.928 -1.583 1.00 0.00 N ATOM 0 H ASN A 75 7.404 0.370 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 75 8.868 1.993 -4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.783 0.988 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.963 1.921 -2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.393 3.758 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.432 2.030 -1.660 1.00 0.00 H new ATOM 923 N HIS A 76 10.104 -0.328 -5.337 1.00 0.00 N ATOM 924 CA HIS A 76 11.066 -0.977 -6.236 1.00 0.00 C ATOM 925 C HIS A 76 11.664 -2.241 -5.616 1.00 0.00 C ATOM 926 O HIS A 76 12.221 -3.078 -6.329 1.00 0.00 O ATOM 927 CB HIS A 76 12.189 -0.015 -6.635 1.00 0.00 C ATOM 928 CG HIS A 76 12.828 -0.351 -7.947 1.00 0.00 C ATOM 929 ND1 HIS A 76 12.591 0.362 -9.104 1.00 0.00 N ATOM 930 CD2 HIS A 76 13.704 -1.329 -8.281 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.291 -0.164 -10.094 1.00 0.00 C ATOM 932 NE2 HIS A 76 13.975 -1.189 -9.620 1.00 0.00 N ATOM 0 H HIS A 76 9.144 -0.650 -5.457 1.00 0.00 H new ATOM 0 HA HIS A 76 10.513 -1.265 -7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.788 0.998 -6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.952 -0.018 -5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.112 -2.078 -7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.302 0.185 -11.116 1.00 0.00 H new ATOM 0 HE2 HIS A 76 14.604 -1.782 -10.162 1.00 0.00 H new ATOM 941 N VAL A 77 11.555 -2.387 -4.297 1.00 0.00 N ATOM 942 CA VAL A 77 12.099 -3.564 -3.626 1.00 0.00 C ATOM 943 C VAL A 77 11.118 -4.736 -3.687 1.00 0.00 C ATOM 944 O VAL A 77 9.938 -4.591 -3.373 1.00 0.00 O ATOM 945 CB VAL A 77 12.478 -3.267 -2.157 1.00 0.00 C ATOM 946 CG1 VAL A 77 11.246 -3.157 -1.269 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.429 -4.333 -1.632 1.00 0.00 C ATOM 0 H VAL A 77 11.101 -1.714 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 77 13.009 -3.839 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 77 12.983 -2.302 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.554 -2.948 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.609 -2.349 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.692 -4.095 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.688 -4.112 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 77 12.946 -5.309 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 77 14.335 -4.343 -2.238 1.00 0.00 H new ATOM 957 N ARG A 78 11.618 -5.895 -4.106 1.00 0.00 N ATOM 958 CA ARG A 78 10.788 -7.089 -4.217 1.00 0.00 C ATOM 959 C ARG A 78 10.403 -7.629 -2.844 1.00 0.00 C ATOM 960 O ARG A 78 11.101 -8.475 -2.283 1.00 0.00 O ATOM 961 CB ARG A 78 11.516 -8.171 -5.017 1.00 0.00 C ATOM 962 CG ARG A 78 11.227 -8.120 -6.511 1.00 0.00 C ATOM 963 CD ARG A 78 10.750 -9.466 -7.039 1.00 0.00 C ATOM 964 NE ARG A 78 11.762 -10.118 -7.868 1.00 0.00 N ATOM 965 CZ ARG A 78 12.755 -10.862 -7.383 1.00 0.00 C ATOM 966 NH1 ARG A 78 12.878 -11.049 -6.074 1.00 0.00 N ATOM 967 NH2 ARG A 78 13.630 -11.416 -8.210 1.00 0.00 N ATOM 0 H ARG A 78 12.593 -6.032 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 78 9.874 -6.809 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.590 -8.068 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.230 -9.150 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.469 -7.362 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.128 -7.818 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.495 -10.115 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.840 -9.325 -7.622 1.00 0.00 H new ATOM 0 HE ARG A 78 11.704 -9.996 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.210 -10.622 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.641 -11.620 -5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.543 -11.272 -9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.391 -11.986 -7.840 1.00 0.00 H new ATOM 981 N THR A 79 9.285 -7.146 -2.313 1.00 0.00 N ATOM 982 CA THR A 79 8.804 -7.591 -1.009 1.00 0.00 C ATOM 983 C THR A 79 7.750 -8.685 -1.164 1.00 0.00 C ATOM 984 O THR A 79 6.891 -8.860 -0.301 1.00 0.00 O ATOM 985 CB THR A 79 8.217 -6.416 -0.226 1.00 0.00 C ATOM 986 OG1 THR A 79 6.949 -6.053 -0.740 1.00 0.00 O ATOM 987 CG2 THR A 79 9.094 -5.184 -0.251 1.00 0.00 C ATOM 0 H THR A 79 8.695 -6.447 -2.764 1.00 0.00 H new ATOM 0 HA THR A 79 9.652 -7.998 -0.459 1.00 0.00 H new ATOM 0 HB THR A 79 8.139 -6.765 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.303 -5.993 -0.005 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.620 -4.388 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.064 -5.419 0.187 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.231 -4.856 -1.281 1.00 0.00 H new ATOM 995 N ARG A 80 7.818 -9.418 -2.274 1.00 0.00 N ATOM 996 CA ARG A 80 6.867 -10.489 -2.541 1.00 0.00 C ATOM 997 C ARG A 80 6.980 -11.594 -1.494 1.00 0.00 C ATOM 998 O ARG A 80 5.989 -11.982 -0.877 1.00 0.00 O ATOM 999 CB ARG A 80 7.099 -11.069 -3.938 1.00 0.00 C ATOM 1000 CG ARG A 80 6.570 -10.186 -5.059 1.00 0.00 C ATOM 1001 CD ARG A 80 7.122 -10.612 -6.411 1.00 0.00 C ATOM 1002 NE ARG A 80 6.378 -11.735 -6.979 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.661 -13.014 -6.738 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.671 -13.344 -5.940 1.00 0.00 N ATOM 1005 NH2 ARG A 80 5.931 -13.969 -7.298 1.00 0.00 N ATOM 0 H ARG A 80 8.522 -9.288 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 80 5.863 -10.068 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.168 -11.226 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.621 -12.047 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.481 -10.233 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.841 -9.148 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.085 -9.768 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.170 -10.890 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 80 5.594 -11.526 -7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.237 -12.615 -5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.880 -14.326 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.154 -13.723 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.146 -14.949 -7.115 1.00 0.00 H new ATOM 1019 N ASP A 81 8.195 -12.097 -1.299 1.00 0.00 N ATOM 1020 CA ASP A 81 8.437 -13.158 -0.327 1.00 0.00 C ATOM 1021 C ASP A 81 8.853 -12.588 1.029 1.00 0.00 C ATOM 1022 O ASP A 81 9.507 -13.266 1.821 1.00 0.00 O ATOM 1023 CB ASP A 81 9.518 -14.111 -0.842 1.00 0.00 C ATOM 1024 CG ASP A 81 9.226 -15.559 -0.495 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.182 -16.077 -0.944 1.00 0.00 O ATOM 1026 OD2 ASP A 81 10.039 -16.172 0.227 1.00 0.00 O ATOM 0 H ASP A 81 9.027 -11.787 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 81 7.504 -13.706 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.602 -14.009 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.481 -13.826 -0.419 1.00 0.00 H new ATOM 1031 N PHE A 82 8.469 -11.341 1.292 1.00 0.00 N ATOM 1032 CA PHE A 82 8.804 -10.692 2.553 1.00 0.00 C ATOM 1033 C PHE A 82 7.831 -11.107 3.649 1.00 0.00 C ATOM 1034 O PHE A 82 6.779 -11.682 3.374 1.00 0.00 O ATOM 1035 CB PHE A 82 8.783 -9.171 2.386 1.00 0.00 C ATOM 1036 CG PHE A 82 10.123 -8.580 2.051 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.999 -9.242 1.204 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.506 -7.361 2.585 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.231 -8.697 0.897 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.737 -6.811 2.281 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.601 -7.480 1.436 1.00 0.00 C ATOM 0 H PHE A 82 7.927 -10.763 0.650 1.00 0.00 H new ATOM 0 HA PHE A 82 9.807 -11.006 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.075 -8.911 1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.417 -8.719 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.715 -10.194 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.835 -6.834 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.904 -9.222 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.023 -5.859 2.704 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.564 -7.053 1.197 1.00 0.00 H new ATOM 1051 N ASP A 83 8.188 -10.809 4.892 1.00 0.00 N ATOM 1052 CA ASP A 83 7.342 -11.149 6.030 1.00 0.00 C ATOM 1053 C ASP A 83 6.664 -9.902 6.584 1.00 0.00 C ATOM 1054 O ASP A 83 7.103 -8.780 6.329 1.00 0.00 O ATOM 1055 CB ASP A 83 8.169 -11.826 7.124 1.00 0.00 C ATOM 1056 CG ASP A 83 8.613 -13.222 6.732 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.743 -14.109 6.609 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.831 -13.428 6.547 1.00 0.00 O ATOM 0 H ASP A 83 9.056 -10.333 5.138 1.00 0.00 H new ATOM 0 HA ASP A 83 6.573 -11.842 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.046 -11.217 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.581 -11.878 8.040 1.00 0.00 H new ATOM 1063 N CYS A 84 5.591 -10.103 7.342 1.00 0.00 N ATOM 1064 CA CYS A 84 4.854 -8.991 7.929 1.00 0.00 C ATOM 1065 C CYS A 84 5.795 -8.059 8.681 1.00 0.00 C ATOM 1066 O CYS A 84 5.679 -6.838 8.592 1.00 0.00 O ATOM 1067 CB CYS A 84 3.769 -9.513 8.873 1.00 0.00 C ATOM 1068 SG CYS A 84 2.524 -8.281 9.320 1.00 0.00 S ATOM 0 H CYS A 84 5.213 -11.024 7.564 1.00 0.00 H new ATOM 0 HA CYS A 84 4.382 -8.430 7.122 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.272 -10.362 8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.241 -9.883 9.783 1.00 0.00 H new ATOM 0 HG CYS A 84 1.411 -8.544 8.702 1.00 0.00 H new ATOM 1074 N CYS A 85 6.731 -8.645 9.419 1.00 0.00 N ATOM 1075 CA CYS A 85 7.695 -7.871 10.183 1.00 0.00 C ATOM 1076 C CYS A 85 8.577 -7.029 9.263 1.00 0.00 C ATOM 1077 O CYS A 85 9.155 -6.028 9.688 1.00 0.00 O ATOM 1078 CB CYS A 85 8.563 -8.797 11.036 1.00 0.00 C ATOM 1079 SG CYS A 85 7.797 -9.294 12.595 1.00 0.00 S ATOM 0 H CYS A 85 6.841 -9.656 9.503 1.00 0.00 H new ATOM 0 HA CYS A 85 7.142 -7.197 10.838 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.799 -9.691 10.458 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.508 -8.297 11.250 1.00 0.00 H new ATOM 0 HG CYS A 85 8.605 -10.077 13.245 1.00 0.00 H new ATOM 1085 N LEU A 86 8.678 -7.441 8.001 1.00 0.00 N ATOM 1086 CA LEU A 86 9.490 -6.724 7.024 1.00 0.00 C ATOM 1087 C LEU A 86 8.642 -5.726 6.239 1.00 0.00 C ATOM 1088 O LEU A 86 9.119 -4.659 5.845 1.00 0.00 O ATOM 1089 CB LEU A 86 10.152 -7.711 6.059 1.00 0.00 C ATOM 1090 CG LEU A 86 11.487 -8.288 6.539 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.256 -9.392 7.558 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.295 -8.808 5.359 1.00 0.00 C ATOM 0 H LEU A 86 8.207 -8.267 7.632 1.00 0.00 H new ATOM 0 HA LEU A 86 10.262 -6.176 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.462 -8.535 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.312 -7.210 5.104 1.00 0.00 H new ATOM 0 HG LEU A 86 12.054 -7.492 7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.216 -9.790 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.717 -8.989 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.669 -10.190 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.241 -9.215 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.733 -9.591 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.491 -7.991 4.664 1.00 0.00 H new ATOM 1104 N VAL A 87 7.382 -6.081 6.020 1.00 0.00 N ATOM 1105 CA VAL A 87 6.464 -5.225 5.285 1.00 0.00 C ATOM 1106 C VAL A 87 5.961 -4.083 6.157 1.00 0.00 C ATOM 1107 O VAL A 87 5.780 -2.962 5.682 1.00 0.00 O ATOM 1108 CB VAL A 87 5.264 -6.027 4.746 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.346 -5.136 3.923 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.747 -7.210 3.923 1.00 0.00 C ATOM 0 H VAL A 87 6.973 -6.958 6.342 1.00 0.00 H new ATOM 0 HA VAL A 87 7.017 -4.810 4.443 1.00 0.00 H new ATOM 0 HB VAL A 87 4.693 -6.406 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.506 -5.723 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.974 -4.323 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.900 -4.723 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.888 -7.768 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.341 -6.850 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.359 -7.862 4.547 1.00 0.00 H new ATOM 1120 N VAL A 88 5.740 -4.364 7.438 1.00 0.00 N ATOM 1121 CA VAL A 88 5.261 -3.344 8.360 1.00 0.00 C ATOM 1122 C VAL A 88 6.194 -2.130 8.360 1.00 0.00 C ATOM 1123 O VAL A 88 5.746 -1.000 8.171 1.00 0.00 O ATOM 1124 CB VAL A 88 5.122 -3.893 9.796 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.736 -2.784 10.767 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.100 -5.018 9.839 1.00 0.00 C ATOM 0 H VAL A 88 5.884 -5.283 7.857 1.00 0.00 H new ATOM 0 HA VAL A 88 4.274 -3.038 8.014 1.00 0.00 H new ATOM 0 HB VAL A 88 6.089 -4.291 10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.644 -3.196 11.772 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.504 -2.011 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.783 -2.351 10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.015 -5.393 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.132 -4.643 9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.420 -5.826 9.181 1.00 0.00 H new ATOM 1136 N PRO A 89 7.510 -2.348 8.558 1.00 0.00 N ATOM 1137 CA PRO A 89 8.490 -1.258 8.563 1.00 0.00 C ATOM 1138 C PRO A 89 8.659 -0.641 7.179 1.00 0.00 C ATOM 1139 O PRO A 89 8.669 0.582 7.034 1.00 0.00 O ATOM 1140 CB PRO A 89 9.786 -1.939 9.007 1.00 0.00 C ATOM 1141 CG PRO A 89 9.611 -3.368 8.625 1.00 0.00 C ATOM 1142 CD PRO A 89 8.145 -3.660 8.786 1.00 0.00 C ATOM 0 HA PRO A 89 8.187 -0.437 9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.653 -1.500 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.942 -1.832 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.933 -3.540 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.211 -4.019 9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.802 -4.403 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.919 -4.049 9.779 1.00 0.00 H new ATOM 1150 N LEU A 90 8.786 -1.492 6.162 1.00 0.00 N ATOM 1151 CA LEU A 90 8.947 -1.020 4.793 1.00 0.00 C ATOM 1152 C LEU A 90 7.812 -0.073 4.411 1.00 0.00 C ATOM 1153 O LEU A 90 7.995 0.845 3.611 1.00 0.00 O ATOM 1154 CB LEU A 90 8.990 -2.201 3.823 1.00 0.00 C ATOM 1155 CG LEU A 90 10.303 -2.987 3.820 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.092 -4.377 3.241 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.370 -2.237 3.038 1.00 0.00 C ATOM 0 H LEU A 90 8.780 -2.507 6.262 1.00 0.00 H new ATOM 0 HA LEU A 90 9.890 -0.476 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.176 -2.883 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.803 -1.831 2.815 1.00 0.00 H new ATOM 0 HG LEU A 90 10.643 -3.094 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.037 -4.921 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.360 -4.915 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.728 -4.293 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.297 -2.810 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.038 -2.099 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.541 -1.264 3.498 1.00 0.00 H new ATOM 1169 N ILE A 91 6.643 -0.303 5.000 1.00 0.00 N ATOM 1170 CA ILE A 91 5.473 0.526 4.737 1.00 0.00 C ATOM 1171 C ILE A 91 5.592 1.862 5.470 1.00 0.00 C ATOM 1172 O ILE A 91 5.384 2.925 4.883 1.00 0.00 O ATOM 1173 CB ILE A 91 4.175 -0.206 5.163 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.922 -1.397 4.237 1.00 0.00 C ATOM 1175 CG2 ILE A 91 2.967 0.726 5.158 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.990 -2.435 4.824 1.00 0.00 C ATOM 0 H ILE A 91 6.481 -1.059 5.665 1.00 0.00 H new ATOM 0 HA ILE A 91 5.424 0.717 3.665 1.00 0.00 H new ATOM 0 HB ILE A 91 4.313 -0.558 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.503 -1.034 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.875 -1.870 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.079 0.172 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.139 1.548 5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.819 1.125 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.857 -3.249 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.417 -2.827 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.024 -1.978 5.036 1.00 0.00 H new ATOM 1188 N ALA A 92 5.929 1.801 6.752 1.00 0.00 N ATOM 1189 CA ALA A 92 6.076 2.998 7.562 1.00 0.00 C ATOM 1190 C ALA A 92 7.404 3.709 7.290 1.00 0.00 C ATOM 1191 O ALA A 92 7.673 4.768 7.859 1.00 0.00 O ATOM 1192 CB ALA A 92 5.958 2.651 9.038 1.00 0.00 C ATOM 0 H ALA A 92 6.106 0.930 7.253 1.00 0.00 H new ATOM 0 HA ALA A 92 5.273 3.683 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.070 3.556 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.981 2.208 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.739 1.940 9.308 1.00 0.00 H new ATOM 1198 N GLU A 93 8.236 3.122 6.432 1.00 0.00 N ATOM 1199 CA GLU A 93 9.535 3.705 6.109 1.00 0.00 C ATOM 1200 C GLU A 93 9.470 4.600 4.871 1.00 0.00 C ATOM 1201 O GLU A 93 10.462 5.233 4.507 1.00 0.00 O ATOM 1202 CB GLU A 93 10.571 2.600 5.897 1.00 0.00 C ATOM 1203 CG GLU A 93 11.370 2.271 7.147 1.00 0.00 C ATOM 1204 CD GLU A 93 12.509 1.307 6.875 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.921 1.190 5.700 1.00 0.00 O ATOM 1206 OE2 GLU A 93 12.988 0.668 7.834 1.00 0.00 O ATOM 0 H GLU A 93 8.034 2.246 5.950 1.00 0.00 H new ATOM 0 HA GLU A 93 9.831 4.328 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.064 1.699 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.257 2.903 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.772 3.192 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.705 1.840 7.896 1.00 0.00 H new ATOM 1213 N SER A 94 8.312 4.650 4.224 1.00 0.00 N ATOM 1214 CA SER A 94 8.148 5.473 3.030 1.00 0.00 C ATOM 1215 C SER A 94 8.327 6.946 3.358 1.00 0.00 C ATOM 1216 O SER A 94 8.764 7.737 2.523 1.00 0.00 O ATOM 1217 CB SER A 94 6.775 5.239 2.404 1.00 0.00 C ATOM 1218 OG SER A 94 6.865 4.365 1.293 1.00 0.00 O ATOM 0 H SER A 94 7.477 4.134 4.503 1.00 0.00 H new ATOM 0 HA SER A 94 8.916 5.183 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.099 4.818 3.148 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.348 6.191 2.088 1.00 0.00 H new ATOM 0 HG SER A 94 7.334 4.815 0.560 1.00 0.00 H new ATOM 1224 N GLY A 95 7.984 7.302 4.584 1.00 0.00 N ATOM 1225 CA GLY A 95 8.109 8.681 5.024 1.00 0.00 C ATOM 1226 C GLY A 95 6.842 9.485 4.802 1.00 0.00 C ATOM 1227 O GLY A 95 6.443 10.272 5.660 1.00 0.00 O ATOM 0 H GLY A 95 7.619 6.661 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.364 8.698 6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.933 9.155 4.490 1.00 0.00 H new ATOM 1231 N ASN A 96 6.208 9.289 3.649 1.00 0.00 N ATOM 1232 CA ASN A 96 4.981 10.008 3.323 1.00 0.00 C ATOM 1233 C ASN A 96 4.274 9.376 2.126 1.00 0.00 C ATOM 1234 O ASN A 96 3.051 9.247 2.114 1.00 0.00 O ATOM 1235 CB ASN A 96 5.289 11.479 3.035 1.00 0.00 C ATOM 1236 CG ASN A 96 4.849 12.392 4.162 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.659 12.506 4.458 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.811 13.051 4.800 1.00 0.00 N ATOM 0 H ASN A 96 6.523 8.640 2.927 1.00 0.00 H new ATOM 0 HA ASN A 96 4.315 9.945 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.360 11.598 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.791 11.778 2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.576 13.680 5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.785 12.927 4.522 1.00 0.00 H new ATOM 1245 N LYS A 97 5.050 8.984 1.120 1.00 0.00 N ATOM 1246 CA LYS A 97 4.492 8.364 -0.078 1.00 0.00 C ATOM 1247 C LYS A 97 4.918 6.905 -0.178 1.00 0.00 C ATOM 1248 O LYS A 97 6.107 6.590 -0.110 1.00 0.00 O ATOM 1249 CB LYS A 97 4.937 9.131 -1.329 1.00 0.00 C ATOM 1250 CG LYS A 97 3.839 9.990 -1.936 1.00 0.00 C ATOM 1251 CD LYS A 97 3.703 9.750 -3.432 1.00 0.00 C ATOM 1252 CE LYS A 97 4.824 10.421 -4.208 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.346 10.984 -5.500 1.00 0.00 N ATOM 0 H LYS A 97 6.065 9.084 1.110 1.00 0.00 H new ATOM 0 HA LYS A 97 3.405 8.402 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.785 9.766 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.286 8.419 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.891 9.771 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.057 11.042 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.711 8.679 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.742 10.131 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.258 11.218 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.617 9.698 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.141 11.433 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.955 10.220 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.607 11.693 -5.318 1.00 0.00 H new ATOM 1267 N LEU A 98 3.943 6.014 -0.333 1.00 0.00 N ATOM 1268 CA LEU A 98 4.228 4.588 -0.434 1.00 0.00 C ATOM 1269 C LEU A 98 3.835 4.032 -1.797 1.00 0.00 C ATOM 1270 O LEU A 98 2.676 3.688 -2.027 1.00 0.00 O ATOM 1271 CB LEU A 98 3.489 3.818 0.665 1.00 0.00 C ATOM 1272 CG LEU A 98 4.374 2.949 1.563 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.518 2.099 2.484 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.295 2.070 0.725 1.00 0.00 C ATOM 0 H LEU A 98 2.953 6.254 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 98 5.303 4.461 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.956 4.533 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.738 3.181 0.198 1.00 0.00 H new ATOM 0 HG LEU A 98 4.994 3.605 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.161 1.487 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.904 2.746 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.874 1.453 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.915 1.461 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.696 1.420 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.934 2.699 0.105 1.00 0.00 H new ATOM 1286 N ASP A 99 4.811 3.921 -2.692 1.00 0.00 N ATOM 1287 CA ASP A 99 4.566 3.377 -4.021 1.00 0.00 C ATOM 1288 C ASP A 99 4.878 1.887 -4.024 1.00 0.00 C ATOM 1289 O ASP A 99 6.011 1.484 -3.762 1.00 0.00 O ATOM 1290 CB ASP A 99 5.421 4.098 -5.064 1.00 0.00 C ATOM 1291 CG ASP A 99 5.179 5.595 -5.077 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.915 6.163 -3.997 1.00 0.00 O ATOM 1293 OD2 ASP A 99 5.254 6.198 -6.169 1.00 0.00 O ATOM 0 H ASP A 99 5.777 4.200 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 99 3.517 3.528 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.475 3.905 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.206 3.690 -6.051 1.00 0.00 H new ATOM 1298 N LEU A 100 3.870 1.068 -4.299 1.00 0.00 N ATOM 1299 CA LEU A 100 4.060 -0.378 -4.304 1.00 0.00 C ATOM 1300 C LEU A 100 3.150 -1.074 -5.308 1.00 0.00 C ATOM 1301 O LEU A 100 2.094 -0.560 -5.672 1.00 0.00 O ATOM 1302 CB LEU A 100 3.796 -0.939 -2.905 1.00 0.00 C ATOM 1303 CG LEU A 100 2.526 -0.408 -2.229 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.487 -1.511 -2.100 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.853 0.181 -0.864 1.00 0.00 C ATOM 0 H LEU A 100 2.923 1.375 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 100 5.091 -0.570 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.729 -2.025 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.652 -0.711 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 100 2.110 0.383 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.593 -1.115 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.229 -1.886 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.893 -2.325 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.939 0.553 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.294 -0.589 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.560 1.002 -0.982 1.00 0.00 H new ATOM 1317 N VAL A 101 3.569 -2.263 -5.731 1.00 0.00 N ATOM 1318 CA VAL A 101 2.801 -3.064 -6.671 1.00 0.00 C ATOM 1319 C VAL A 101 2.323 -4.340 -5.991 1.00 0.00 C ATOM 1320 O VAL A 101 3.120 -5.230 -5.689 1.00 0.00 O ATOM 1321 CB VAL A 101 3.636 -3.432 -7.913 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.757 -4.058 -8.985 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.359 -2.208 -8.452 1.00 0.00 C ATOM 0 H VAL A 101 4.444 -2.694 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 101 1.947 -2.470 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 101 4.385 -4.167 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.366 -4.310 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.293 -4.962 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.982 -3.350 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.943 -2.487 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.629 -1.447 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.023 -1.811 -7.685 1.00 0.00 H new ATOM 1333 N ILE A 102 1.024 -4.419 -5.735 1.00 0.00 N ATOM 1334 CA ILE A 102 0.448 -5.580 -5.068 1.00 0.00 C ATOM 1335 C ILE A 102 -0.308 -6.467 -6.052 1.00 0.00 C ATOM 1336 O ILE A 102 -0.613 -6.051 -7.168 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.510 -5.151 -3.940 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.725 -4.434 -4.527 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.204 -4.255 -2.935 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.866 -5.367 -4.863 1.00 0.00 C ATOM 0 H ILE A 102 0.349 -3.694 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 102 1.277 -6.146 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.849 -6.045 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.075 -3.685 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.423 -3.901 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.492 -3.965 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.043 -4.796 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.573 -3.363 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.696 -4.793 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.532 -6.101 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.194 -5.881 -3.959 1.00 0.00 H new ATOM 1352 N SER A 103 -0.615 -7.687 -5.622 1.00 0.00 N ATOM 1353 CA SER A 103 -1.342 -8.633 -6.459 1.00 0.00 C ATOM 1354 C SER A 103 -2.569 -9.169 -5.728 1.00 0.00 C ATOM 1355 O SER A 103 -2.465 -9.673 -4.608 1.00 0.00 O ATOM 1356 CB SER A 103 -0.432 -9.790 -6.866 1.00 0.00 C ATOM 1357 OG SER A 103 -0.087 -10.589 -5.747 1.00 0.00 O ATOM 0 H SER A 103 -0.371 -8.043 -4.698 1.00 0.00 H new ATOM 0 HA SER A 103 -1.673 -8.109 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.933 -10.404 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.473 -9.398 -7.330 1.00 0.00 H new ATOM 0 HG SER A 103 -0.819 -11.210 -5.550 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.729 -9.056 -6.366 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.973 -9.530 -5.773 1.00 0.00 C ATOM 1365 C ARG A 104 -5.978 -9.926 -6.850 1.00 0.00 C ATOM 1366 O ARG A 104 -6.120 -9.241 -7.863 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.576 -8.450 -4.873 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.759 -7.112 -5.569 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.164 -6.963 -6.132 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.556 -5.562 -6.263 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.545 -5.138 -7.046 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.246 -6.004 -7.767 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -8.835 -3.846 -7.107 1.00 0.00 N ATOM 0 H ARG A 104 -3.833 -8.641 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.745 -10.412 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.542 -8.794 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.933 -8.313 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.561 -6.304 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.031 -7.018 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.217 -7.447 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.871 -7.478 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.041 -4.867 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.028 -6.999 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.003 -5.674 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.300 -3.177 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.593 -3.521 -7.707 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.675 -11.035 -6.623 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.671 -11.519 -7.573 1.00 0.00 C ATOM 1389 C ASN A 105 -8.807 -10.511 -7.724 1.00 0.00 C ATOM 1390 O ASN A 105 -9.075 -9.725 -6.815 1.00 0.00 O ATOM 1391 CB ASN A 105 -8.231 -12.868 -7.114 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.144 -13.906 -6.913 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -6.485 -13.939 -5.873 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -6.952 -14.763 -7.909 1.00 0.00 N ATOM 0 H ASN A 105 -6.569 -11.615 -5.791 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.185 -11.645 -8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.778 -12.733 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.945 -13.232 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.236 -15.485 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.521 -14.700 -8.753 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.493 -10.517 -8.881 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.600 -9.598 -9.146 1.00 0.00 C ATOM 1403 C PRO A 106 -11.895 -10.042 -8.474 1.00 0.00 C ATOM 1404 O PRO A 106 -11.820 -10.624 -7.372 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.737 -9.656 -10.665 1.00 0.00 C ATOM 1406 CG PRO A 106 -10.297 -11.032 -11.026 1.00 0.00 C ATOM 1407 CD PRO A 106 -9.240 -11.418 -10.024 1.00 0.00 C ATOM 1408 OXT PRO A 106 -12.974 -9.803 -9.056 1.00 0.00 O ATOM 0 HA PRO A 106 -10.410 -8.598 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.765 -9.473 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.117 -8.901 -11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.135 -11.728 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.899 -11.059 -12.040 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.326 -12.465 -9.735 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.237 -11.280 -10.428 1.00 0.00 H new