USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 854 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 46 THR OG1 : rot -70:sc= 1.24 USER MOD Set 1.2: A 56 GLN : amide:sc= 1.11 K(o=2.4,f=-2.4!) USER MOD Set 2.1: A 18 ASN : amide:sc= 0.0147 K(o=-1.9,f=-3.3) USER MOD Set 2.2: A 22 SER OG : rot -160:sc= -1.87! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.019) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -74:sc= 1.09 USER MOD Single : A 26 THR OG1 : rot 2:sc= 0.0502 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 0.718 (180deg=0.472) USER MOD Single : A 40 SER OG : rot 30:sc= 0.314 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 0.539 (180deg=0.143) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 31:sc= 0.148 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0276) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 0.519 (180deg=-0.0474) USER MOD Single : A 86 MET CE :methyl -144:sc= -0.641 (180deg=-3.39!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.98! K(o=-2!,f=-0.8) USER MOD Single : A 92 THR OG1 : rot -97:sc= 0.446 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0289 USER MOD Single : A 100 THR OG1 : rot 164:sc= 0.143 USER MOD Single : A 103 SER OG : rot 70:sc= 0.0627 USER MOD Single : A 112 LYS NZ :NH3+ -133:sc= 0.094 (180deg=-0.0339) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -1.693 20.751 -2.743 1.00 45.44 N ATOM 43 CA LYS A 3 -1.997 19.319 -2.498 1.00 41.22 C ATOM 44 C LYS A 3 -1.652 18.921 -1.050 1.00 14.00 C ATOM 45 O LYS A 3 -0.657 19.389 -0.490 1.00 10.23 O ATOM 46 CB LYS A 3 -1.200 18.408 -3.471 1.00 22.12 C ATOM 47 CG LYS A 3 -1.234 18.846 -4.942 1.00 63.23 C ATOM 48 CD LYS A 3 -2.636 18.789 -5.588 1.00 3.15 C ATOM 49 CE LYS A 3 -2.614 19.270 -7.055 1.00 22.41 C ATOM 50 NZ LYS A 3 -3.940 19.145 -7.713 1.00 74.20 N ATOM 0 HA LYS A 3 -3.065 19.183 -2.666 1.00 41.22 H new ATOM 0 HB2 LYS A 3 -0.161 18.371 -3.142 1.00 22.12 H new ATOM 0 HB3 LYS A 3 -1.593 17.394 -3.400 1.00 22.12 H new ATOM 0 HG2 LYS A 3 -0.854 19.865 -5.015 1.00 63.23 H new ATOM 0 HG3 LYS A 3 -0.557 18.212 -5.514 1.00 63.23 H new ATOM 0 HD2 LYS A 3 -3.014 17.767 -5.547 1.00 3.15 H new ATOM 0 HD3 LYS A 3 -3.326 19.407 -5.014 1.00 3.15 H new ATOM 0 HE2 LYS A 3 -2.292 20.311 -7.088 1.00 22.41 H new ATOM 0 HE3 LYS A 3 -1.879 18.691 -7.613 1.00 22.41 H new ATOM 0 HZ1 LYS A 3 -3.873 19.480 -8.695 1.00 74.20 H new ATOM 0 HZ2 LYS A 3 -4.238 18.149 -7.707 1.00 74.20 H new ATOM 0 HZ3 LYS A 3 -4.638 19.718 -7.198 1.00 74.20 H new ATOM 64 N GLU A 4 -2.467 18.044 -0.476 1.00 61.11 N ATOM 65 CA GLU A 4 -2.281 17.540 0.900 1.00 72.21 C ATOM 66 C GLU A 4 -1.713 16.101 0.896 1.00 10.11 C ATOM 67 O GLU A 4 -2.402 15.139 0.535 1.00 10.20 O ATOM 68 CB GLU A 4 -3.614 17.574 1.680 1.00 50.02 C ATOM 69 CG GLU A 4 -3.467 17.233 3.177 1.00 33.25 C ATOM 70 CD GLU A 4 -4.802 17.230 3.947 1.00 13.22 C ATOM 71 OE1 GLU A 4 -5.551 18.228 3.856 1.00 4.11 O ATOM 72 OE2 GLU A 4 -5.094 16.251 4.667 1.00 40.42 O ATOM 0 H GLU A 4 -3.284 17.654 -0.946 1.00 61.11 H new ATOM 0 HA GLU A 4 -1.564 18.194 1.395 1.00 72.21 H new ATOM 0 HB2 GLU A 4 -4.055 18.566 1.584 1.00 50.02 H new ATOM 0 HB3 GLU A 4 -4.310 16.870 1.223 1.00 50.02 H new ATOM 0 HG2 GLU A 4 -3.001 16.253 3.273 1.00 33.25 H new ATOM 0 HG3 GLU A 4 -2.793 17.953 3.640 1.00 33.25 H new ATOM 79 N LYS A 5 -0.442 15.976 1.280 1.00 14.01 N ATOM 80 CA LYS A 5 0.206 14.672 1.498 1.00 35.35 C ATOM 81 C LYS A 5 -0.279 14.091 2.853 1.00 34.40 C ATOM 82 O LYS A 5 -0.351 14.807 3.860 1.00 71.30 O ATOM 83 CB LYS A 5 1.748 14.860 1.454 1.00 14.30 C ATOM 84 CG LYS A 5 2.607 13.558 1.395 1.00 41.11 C ATOM 85 CD LYS A 5 2.841 12.861 2.767 1.00 13.14 C ATOM 86 CE LYS A 5 3.452 13.803 3.822 1.00 21.03 C ATOM 87 NZ LYS A 5 3.995 13.074 4.984 1.00 14.44 N ATOM 0 H LYS A 5 0.171 16.773 1.450 1.00 14.01 H new ATOM 0 HA LYS A 5 -0.063 13.962 0.716 1.00 35.35 H new ATOM 0 HB2 LYS A 5 1.993 15.470 0.584 1.00 14.30 H new ATOM 0 HB3 LYS A 5 2.048 15.427 2.335 1.00 14.30 H new ATOM 0 HG2 LYS A 5 2.121 12.850 0.723 1.00 41.11 H new ATOM 0 HG3 LYS A 5 3.576 13.799 0.957 1.00 41.11 H new ATOM 0 HD2 LYS A 5 1.892 12.474 3.139 1.00 13.14 H new ATOM 0 HD3 LYS A 5 3.501 12.005 2.626 1.00 13.14 H new ATOM 0 HE2 LYS A 5 4.246 14.391 3.363 1.00 21.03 H new ATOM 0 HE3 LYS A 5 2.691 14.506 4.161 1.00 21.03 H new ATOM 0 HZ1 LYS A 5 4.394 13.752 5.664 1.00 14.44 H new ATOM 0 HZ2 LYS A 5 3.234 12.533 5.441 1.00 14.44 H new ATOM 0 HZ3 LYS A 5 4.741 12.422 4.667 1.00 14.44 H new ATOM 101 N ILE A 6 -0.583 12.786 2.873 1.00 24.40 N ATOM 102 CA ILE A 6 -1.259 12.123 4.015 1.00 41.00 C ATOM 103 C ILE A 6 -0.580 10.776 4.374 1.00 73.02 C ATOM 104 O ILE A 6 0.280 10.269 3.640 1.00 33.51 O ATOM 105 CB ILE A 6 -2.791 11.891 3.718 1.00 30.32 C ATOM 106 CG1 ILE A 6 -2.971 10.912 2.519 1.00 61.31 C ATOM 107 CG2 ILE A 6 -3.539 13.236 3.483 1.00 62.02 C ATOM 108 CD1 ILE A 6 -4.387 10.759 2.023 1.00 34.03 C ATOM 0 H ILE A 6 -0.370 12.153 2.102 1.00 24.40 H new ATOM 0 HA ILE A 6 -1.168 12.793 4.870 1.00 41.00 H new ATOM 0 HB ILE A 6 -3.242 11.431 4.598 1.00 30.32 H new ATOM 0 HG12 ILE A 6 -2.349 11.256 1.693 1.00 61.31 H new ATOM 0 HG13 ILE A 6 -2.598 9.931 2.812 1.00 61.31 H new ATOM 0 HG21 ILE A 6 -4.591 13.037 3.281 1.00 62.02 H new ATOM 0 HG22 ILE A 6 -3.452 13.861 4.372 1.00 62.02 H new ATOM 0 HG23 ILE A 6 -3.098 13.753 2.631 1.00 62.02 H new ATOM 0 HD11 ILE A 6 -4.406 10.058 1.189 1.00 34.03 H new ATOM 0 HD12 ILE A 6 -5.016 10.381 2.829 1.00 34.03 H new ATOM 0 HD13 ILE A 6 -4.763 11.727 1.692 1.00 34.03 H new ATOM 120 N HIS A 7 -0.986 10.227 5.529 1.00 12.21 N ATOM 121 CA HIS A 7 -0.485 8.945 6.064 1.00 25.45 C ATOM 122 C HIS A 7 -1.655 8.174 6.732 1.00 14.50 C ATOM 123 O HIS A 7 -2.178 8.603 7.766 1.00 14.02 O ATOM 124 CB HIS A 7 0.704 9.176 7.046 1.00 42.05 C ATOM 125 CG HIS A 7 0.426 10.145 8.169 1.00 4.44 C ATOM 126 ND1 HIS A 7 0.153 9.747 9.462 1.00 51.25 N ATOM 127 CD2 HIS A 7 0.372 11.501 8.183 1.00 3.30 C ATOM 128 CE1 HIS A 7 -0.062 10.805 10.215 1.00 21.13 C ATOM 129 NE2 HIS A 7 0.067 11.878 9.465 1.00 30.00 N ATOM 0 H HIS A 7 -1.683 10.666 6.130 1.00 12.21 H new ATOM 0 HA HIS A 7 -0.098 8.336 5.247 1.00 25.45 H new ATOM 0 HB2 HIS A 7 0.991 8.217 7.477 1.00 42.05 H new ATOM 0 HB3 HIS A 7 1.560 9.539 6.477 1.00 42.05 H new ATOM 0 HD2 HIS A 7 0.538 12.159 7.343 1.00 3.30 H new ATOM 0 HE1 HIS A 7 -0.303 10.794 11.268 1.00 21.13 H new ATOM 0 HE2 HIS A 7 -0.043 12.840 9.787 1.00 30.00 H new ATOM 138 N LEU A 8 -2.073 7.047 6.127 1.00 63.02 N ATOM 139 CA LEU A 8 -3.189 6.228 6.641 1.00 11.24 C ATOM 140 C LEU A 8 -2.620 5.044 7.457 1.00 1.44 C ATOM 141 O LEU A 8 -1.955 4.167 6.907 1.00 54.20 O ATOM 142 CB LEU A 8 -4.085 5.682 5.477 1.00 60.34 C ATOM 143 CG LEU A 8 -4.815 6.726 4.563 1.00 62.33 C ATOM 144 CD1 LEU A 8 -5.538 7.808 5.391 1.00 11.31 C ATOM 145 CD2 LEU A 8 -3.861 7.342 3.514 1.00 51.13 C ATOM 0 H LEU A 8 -1.651 6.679 5.274 1.00 63.02 H new ATOM 0 HA LEU A 8 -3.811 6.859 7.276 1.00 11.24 H new ATOM 0 HB2 LEU A 8 -3.460 5.057 4.839 1.00 60.34 H new ATOM 0 HB3 LEU A 8 -4.843 5.033 5.915 1.00 60.34 H new ATOM 0 HG LEU A 8 -5.583 6.183 4.011 1.00 62.33 H new ATOM 0 HD11 LEU A 8 -6.031 8.511 4.720 1.00 11.31 H new ATOM 0 HD12 LEU A 8 -6.282 7.338 6.034 1.00 11.31 H new ATOM 0 HD13 LEU A 8 -4.813 8.341 6.006 1.00 11.31 H new ATOM 0 HD21 LEU A 8 -4.408 8.060 2.902 1.00 51.13 H new ATOM 0 HD22 LEU A 8 -3.040 7.849 4.022 1.00 51.13 H new ATOM 0 HD23 LEU A 8 -3.462 6.552 2.877 1.00 51.13 H new ATOM 157 N GLU A 9 -2.901 5.045 8.767 1.00 1.31 N ATOM 158 CA GLU A 9 -2.403 4.032 9.727 1.00 33.14 C ATOM 159 C GLU A 9 -3.542 3.035 10.049 1.00 3.41 C ATOM 160 O GLU A 9 -4.570 3.429 10.596 1.00 12.23 O ATOM 161 CB GLU A 9 -1.889 4.774 11.003 1.00 3.25 C ATOM 162 CG GLU A 9 -1.058 3.943 12.014 1.00 44.23 C ATOM 163 CD GLU A 9 -1.876 2.969 12.889 1.00 30.23 C ATOM 164 OE1 GLU A 9 -2.590 3.439 13.801 1.00 40.22 O ATOM 165 OE2 GLU A 9 -1.818 1.741 12.666 1.00 12.20 O ATOM 0 H GLU A 9 -3.488 5.756 9.203 1.00 1.31 H new ATOM 0 HA GLU A 9 -1.576 3.460 9.308 1.00 33.14 H new ATOM 0 HB2 GLU A 9 -1.283 5.621 10.681 1.00 3.25 H new ATOM 0 HB3 GLU A 9 -2.752 5.182 11.529 1.00 3.25 H new ATOM 0 HG2 GLU A 9 -0.310 3.372 11.464 1.00 44.23 H new ATOM 0 HG3 GLU A 9 -0.518 4.628 12.667 1.00 44.23 H new ATOM 172 N TYR A 10 -3.339 1.746 9.710 1.00 13.21 N ATOM 173 CA TYR A 10 -4.361 0.678 9.846 1.00 73.52 C ATOM 174 C TYR A 10 -3.960 -0.378 10.912 1.00 60.43 C ATOM 175 O TYR A 10 -2.789 -0.751 11.008 1.00 1.24 O ATOM 176 CB TYR A 10 -4.574 -0.043 8.487 1.00 52.34 C ATOM 177 CG TYR A 10 -5.048 0.836 7.316 1.00 13.30 C ATOM 178 CD1 TYR A 10 -6.386 1.228 7.203 1.00 0.21 C ATOM 179 CD2 TYR A 10 -4.170 1.233 6.301 1.00 71.21 C ATOM 180 CE1 TYR A 10 -6.827 1.980 6.129 1.00 71.23 C ATOM 181 CE2 TYR A 10 -4.608 1.990 5.230 1.00 63.03 C ATOM 182 CZ TYR A 10 -5.939 2.361 5.149 1.00 63.53 C ATOM 183 OH TYR A 10 -6.383 3.102 4.074 1.00 23.13 O ATOM 0 H TYR A 10 -2.454 1.410 9.330 1.00 13.21 H new ATOM 0 HA TYR A 10 -5.284 1.162 10.166 1.00 73.52 H new ATOM 0 HB2 TYR A 10 -3.635 -0.517 8.201 1.00 52.34 H new ATOM 0 HB3 TYR A 10 -5.303 -0.840 8.633 1.00 52.34 H new ATOM 0 HD1 TYR A 10 -7.089 0.938 7.970 1.00 0.21 H new ATOM 0 HD2 TYR A 10 -3.131 0.943 6.355 1.00 71.21 H new ATOM 0 HE1 TYR A 10 -7.866 2.267 6.060 1.00 71.23 H new ATOM 0 HE2 TYR A 10 -3.914 2.291 4.459 1.00 63.03 H new ATOM 0 HH TYR A 10 -5.632 3.290 3.473 1.00 23.13 H new ATOM 193 N LEU A 11 -4.948 -0.873 11.691 1.00 1.54 N ATOM 194 CA LEU A 11 -4.733 -1.990 12.654 1.00 72.40 C ATOM 195 C LEU A 11 -4.989 -3.365 11.967 1.00 42.34 C ATOM 196 O LEU A 11 -6.128 -3.728 11.654 1.00 61.51 O ATOM 197 CB LEU A 11 -5.596 -1.822 13.965 1.00 73.21 C ATOM 198 CG LEU A 11 -7.160 -2.015 13.878 1.00 64.45 C ATOM 199 CD1 LEU A 11 -7.802 -2.090 15.278 1.00 43.32 C ATOM 200 CD2 LEU A 11 -7.836 -0.917 13.040 1.00 60.11 C ATOM 0 H LEU A 11 -5.905 -0.520 11.676 1.00 1.54 H new ATOM 0 HA LEU A 11 -3.689 -1.958 12.967 1.00 72.40 H new ATOM 0 HB2 LEU A 11 -5.217 -2.530 14.702 1.00 73.21 H new ATOM 0 HB3 LEU A 11 -5.409 -0.822 14.357 1.00 73.21 H new ATOM 0 HG LEU A 11 -7.323 -2.967 13.373 1.00 64.45 H new ATOM 0 HD11 LEU A 11 -8.879 -2.223 15.178 1.00 43.32 H new ATOM 0 HD12 LEU A 11 -7.382 -2.933 15.826 1.00 43.32 H new ATOM 0 HD13 LEU A 11 -7.599 -1.167 15.821 1.00 43.32 H new ATOM 0 HD21 LEU A 11 -8.911 -1.093 13.009 1.00 60.11 H new ATOM 0 HD22 LEU A 11 -7.640 0.056 13.490 1.00 60.11 H new ATOM 0 HD23 LEU A 11 -7.436 -0.935 12.026 1.00 60.11 H new ATOM 212 N LEU A 12 -3.909 -4.114 11.671 1.00 75.51 N ATOM 213 CA LEU A 12 -4.007 -5.448 11.010 1.00 62.12 C ATOM 214 C LEU A 12 -3.564 -6.598 11.942 1.00 61.41 C ATOM 215 O LEU A 12 -2.708 -6.426 12.812 1.00 4.43 O ATOM 216 CB LEU A 12 -3.194 -5.473 9.668 1.00 14.40 C ATOM 217 CG LEU A 12 -3.975 -5.075 8.370 1.00 5.03 C ATOM 218 CD1 LEU A 12 -5.136 -6.053 8.087 1.00 65.50 C ATOM 219 CD2 LEU A 12 -4.473 -3.620 8.427 1.00 55.32 C ATOM 0 H LEU A 12 -2.953 -3.825 11.876 1.00 75.51 H new ATOM 0 HA LEU A 12 -5.060 -5.610 10.779 1.00 62.12 H new ATOM 0 HB2 LEU A 12 -2.342 -4.801 9.773 1.00 14.40 H new ATOM 0 HB3 LEU A 12 -2.793 -6.477 9.531 1.00 14.40 H new ATOM 0 HG LEU A 12 -3.273 -5.146 7.539 1.00 5.03 H new ATOM 0 HD11 LEU A 12 -5.656 -5.747 7.179 1.00 65.50 H new ATOM 0 HD12 LEU A 12 -4.740 -7.060 7.956 1.00 65.50 H new ATOM 0 HD13 LEU A 12 -5.833 -6.043 8.925 1.00 65.50 H new ATOM 0 HD21 LEU A 12 -5.010 -3.383 7.508 1.00 55.32 H new ATOM 0 HD22 LEU A 12 -5.141 -3.497 9.279 1.00 55.32 H new ATOM 0 HD23 LEU A 12 -3.622 -2.948 8.534 1.00 55.32 H new ATOM 231 N ASN A 13 -4.170 -7.777 11.716 1.00 25.11 N ATOM 232 CA ASN A 13 -3.851 -9.028 12.442 1.00 5.25 C ATOM 233 C ASN A 13 -2.528 -9.650 11.897 1.00 34.53 C ATOM 234 O ASN A 13 -2.253 -9.603 10.690 1.00 12.35 O ATOM 235 CB ASN A 13 -5.054 -10.014 12.289 1.00 23.14 C ATOM 236 CG ASN A 13 -4.999 -11.285 13.164 1.00 72.11 C ATOM 237 OD1 ASN A 13 -3.942 -11.817 13.478 1.00 51.21 O ATOM 238 ND2 ASN A 13 -6.157 -11.790 13.554 1.00 31.41 N ATOM 0 H ASN A 13 -4.904 -7.894 11.017 1.00 25.11 H new ATOM 0 HA ASN A 13 -3.696 -8.819 13.501 1.00 5.25 H new ATOM 0 HB2 ASN A 13 -5.972 -9.475 12.522 1.00 23.14 H new ATOM 0 HB3 ASN A 13 -5.119 -10.318 11.244 1.00 23.14 H new ATOM 0 HD21 ASN A 13 -6.179 -12.635 14.125 1.00 31.41 H new ATOM 0 HD22 ASN A 13 -7.029 -11.335 13.284 1.00 31.41 H new ATOM 280 N LYS A 17 0.957 -10.946 8.533 1.00 11.14 N ATOM 281 CA LYS A 17 2.071 -10.087 9.005 1.00 23.12 C ATOM 282 C LYS A 17 2.490 -9.018 7.943 1.00 60.24 C ATOM 283 O LYS A 17 1.719 -8.103 7.657 1.00 1.10 O ATOM 284 CB LYS A 17 3.273 -10.980 9.450 1.00 15.14 C ATOM 285 CG LYS A 17 2.932 -12.058 10.497 1.00 45.44 C ATOM 286 CD LYS A 17 4.072 -13.079 10.684 1.00 73.23 C ATOM 287 CE LYS A 17 3.699 -14.228 11.634 1.00 42.34 C ATOM 288 NZ LYS A 17 4.766 -15.260 11.692 1.00 75.01 N ATOM 0 HA LYS A 17 1.723 -9.520 9.869 1.00 23.12 H new ATOM 0 HB2 LYS A 17 3.688 -11.469 8.569 1.00 15.14 H new ATOM 0 HB3 LYS A 17 4.054 -10.336 9.855 1.00 15.14 H new ATOM 0 HG2 LYS A 17 2.718 -11.578 11.452 1.00 45.44 H new ATOM 0 HG3 LYS A 17 2.026 -12.582 10.193 1.00 45.44 H new ATOM 0 HD2 LYS A 17 4.345 -13.492 9.713 1.00 73.23 H new ATOM 0 HD3 LYS A 17 4.952 -12.566 11.071 1.00 73.23 H new ATOM 0 HE2 LYS A 17 3.522 -13.831 12.634 1.00 42.34 H new ATOM 0 HE3 LYS A 17 2.767 -14.686 11.303 1.00 42.34 H new ATOM 0 HZ1 LYS A 17 4.480 -16.019 12.342 1.00 75.01 H new ATOM 0 HZ2 LYS A 17 4.918 -15.656 10.743 1.00 75.01 H new ATOM 0 HZ3 LYS A 17 5.649 -14.828 12.032 1.00 75.01 H new ATOM 302 N ASN A 18 3.716 -9.137 7.372 1.00 2.54 N ATOM 303 CA ASN A 18 4.211 -8.242 6.302 1.00 54.32 C ATOM 304 C ASN A 18 3.537 -8.531 4.936 1.00 31.44 C ATOM 305 O ASN A 18 3.264 -7.616 4.166 1.00 31.40 O ATOM 306 CB ASN A 18 5.759 -8.358 6.198 1.00 13.22 C ATOM 307 CG ASN A 18 6.251 -9.740 5.742 1.00 22.20 C ATOM 308 OD1 ASN A 18 6.449 -9.984 4.556 1.00 1.10 O ATOM 309 ND2 ASN A 18 6.439 -10.657 6.672 1.00 54.43 N ATOM 0 H ASN A 18 4.386 -9.857 7.642 1.00 2.54 H new ATOM 0 HA ASN A 18 3.944 -7.219 6.568 1.00 54.32 H new ATOM 0 HB2 ASN A 18 6.124 -7.605 5.500 1.00 13.22 H new ATOM 0 HB3 ASN A 18 6.197 -8.130 7.170 1.00 13.22 H new ATOM 0 HD21 ASN A 18 6.755 -11.591 6.411 1.00 54.43 H new ATOM 0 HD22 ASN A 18 6.268 -10.432 7.652 1.00 54.43 H new ATOM 316 N ILE A 19 3.242 -9.817 4.690 1.00 72.22 N ATOM 317 CA ILE A 19 2.861 -10.369 3.355 1.00 32.40 C ATOM 318 C ILE A 19 1.552 -9.755 2.792 1.00 73.43 C ATOM 319 O ILE A 19 1.307 -9.801 1.577 1.00 74.33 O ATOM 320 CB ILE A 19 2.759 -11.931 3.452 1.00 73.02 C ATOM 321 CG1 ILE A 19 4.055 -12.522 4.115 1.00 64.32 C ATOM 322 CG2 ILE A 19 2.500 -12.592 2.071 1.00 2.11 C ATOM 323 CD1 ILE A 19 3.927 -13.950 4.608 1.00 42.43 C ATOM 0 H ILE A 19 3.258 -10.528 5.421 1.00 72.22 H new ATOM 0 HA ILE A 19 3.642 -10.093 2.647 1.00 32.40 H new ATOM 0 HB ILE A 19 1.899 -12.162 4.081 1.00 73.02 H new ATOM 0 HG12 ILE A 19 4.869 -12.475 3.392 1.00 64.32 H new ATOM 0 HG13 ILE A 19 4.337 -11.887 4.955 1.00 64.32 H new ATOM 0 HG21 ILE A 19 2.437 -13.674 2.191 1.00 2.11 H new ATOM 0 HG22 ILE A 19 1.563 -12.218 1.659 1.00 2.11 H new ATOM 0 HG23 ILE A 19 3.318 -12.349 1.392 1.00 2.11 H new ATOM 0 HD11 ILE A 19 4.871 -14.269 5.049 1.00 42.43 H new ATOM 0 HD12 ILE A 19 3.139 -14.006 5.359 1.00 42.43 H new ATOM 0 HD13 ILE A 19 3.679 -14.603 3.771 1.00 42.43 H new ATOM 335 N LEU A 20 0.747 -9.166 3.701 1.00 21.24 N ATOM 336 CA LEU A 20 -0.459 -8.364 3.367 1.00 0.25 C ATOM 337 C LEU A 20 -0.193 -7.400 2.182 1.00 30.24 C ATOM 338 O LEU A 20 -0.858 -7.469 1.143 1.00 12.14 O ATOM 339 CB LEU A 20 -0.888 -7.559 4.632 1.00 1.21 C ATOM 340 CG LEU A 20 -1.411 -8.419 5.833 1.00 33.40 C ATOM 341 CD1 LEU A 20 -1.464 -7.592 7.132 1.00 62.42 C ATOM 342 CD2 LEU A 20 -2.791 -9.047 5.511 1.00 32.33 C ATOM 0 H LEU A 20 0.915 -9.233 4.705 1.00 21.24 H new ATOM 0 HA LEU A 20 -1.258 -9.039 3.060 1.00 0.25 H new ATOM 0 HB2 LEU A 20 -0.036 -6.970 4.973 1.00 1.21 H new ATOM 0 HB3 LEU A 20 -1.668 -6.854 4.345 1.00 1.21 H new ATOM 0 HG LEU A 20 -0.704 -9.233 5.990 1.00 33.40 H new ATOM 0 HD11 LEU A 20 -1.831 -8.217 7.946 1.00 62.42 H new ATOM 0 HD12 LEU A 20 -0.465 -7.230 7.374 1.00 62.42 H new ATOM 0 HD13 LEU A 20 -2.134 -6.743 6.996 1.00 62.42 H new ATOM 0 HD21 LEU A 20 -3.129 -9.638 6.362 1.00 32.33 H new ATOM 0 HD22 LEU A 20 -3.513 -8.256 5.309 1.00 32.33 H new ATOM 0 HD23 LEU A 20 -2.703 -9.690 4.635 1.00 32.33 H new ATOM 354 N TRP A 21 0.784 -6.503 2.357 1.00 73.02 N ATOM 355 CA TRP A 21 1.256 -5.608 1.279 1.00 32.41 C ATOM 356 C TRP A 21 2.583 -6.055 0.643 1.00 60.12 C ATOM 357 O TRP A 21 2.833 -5.696 -0.495 1.00 13.24 O ATOM 358 CB TRP A 21 1.361 -4.157 1.790 1.00 23.05 C ATOM 359 CG TRP A 21 0.050 -3.401 1.733 1.00 1.44 C ATOM 360 CD1 TRP A 21 -0.931 -3.357 2.680 1.00 12.01 C ATOM 361 CD2 TRP A 21 -0.403 -2.573 0.648 1.00 13.01 C ATOM 362 NE1 TRP A 21 -1.948 -2.539 2.264 1.00 31.14 N ATOM 363 CE2 TRP A 21 -1.648 -2.049 1.018 1.00 45.44 C ATOM 364 CE3 TRP A 21 0.134 -2.225 -0.597 1.00 72.04 C ATOM 365 CZ2 TRP A 21 -2.367 -1.192 0.189 1.00 42.35 C ATOM 366 CZ3 TRP A 21 -0.580 -1.374 -1.419 1.00 4.35 C ATOM 367 CH2 TRP A 21 -1.820 -0.864 -1.022 1.00 24.04 C ATOM 0 H TRP A 21 1.272 -6.372 3.243 1.00 73.02 H new ATOM 0 HA TRP A 21 0.508 -5.663 0.488 1.00 32.41 H new ATOM 0 HB2 TRP A 21 1.721 -4.167 2.819 1.00 23.05 H new ATOM 0 HB3 TRP A 21 2.105 -3.624 1.197 1.00 23.05 H new ATOM 0 HD1 TRP A 21 -0.909 -3.889 3.620 1.00 12.01 H new ATOM 0 HE1 TRP A 21 -2.793 -2.328 2.795 1.00 31.14 H new ATOM 0 HE3 TRP A 21 1.091 -2.615 -0.910 1.00 72.04 H new ATOM 0 HZ2 TRP A 21 -3.326 -0.798 0.492 1.00 42.35 H new ATOM 0 HZ3 TRP A 21 -0.175 -1.099 -2.382 1.00 4.35 H new ATOM 0 HH2 TRP A 21 -2.356 -0.199 -1.683 1.00 24.04 H new ATOM 378 N SER A 22 3.428 -6.835 1.364 1.00 20.03 N ATOM 379 CA SER A 22 4.810 -7.199 0.882 1.00 45.42 C ATOM 380 C SER A 22 4.778 -7.955 -0.465 1.00 13.15 C ATOM 381 O SER A 22 5.790 -8.039 -1.161 1.00 1.42 O ATOM 382 CB SER A 22 5.595 -8.046 1.928 1.00 12.33 C ATOM 383 OG SER A 22 5.392 -9.444 1.768 1.00 24.44 O ATOM 0 H SER A 22 3.191 -7.227 2.275 1.00 20.03 H new ATOM 0 HA SER A 22 5.329 -6.251 0.739 1.00 45.42 H new ATOM 0 HB2 SER A 22 6.659 -7.826 1.842 1.00 12.33 H new ATOM 0 HB3 SER A 22 5.288 -7.751 2.932 1.00 12.33 H new ATOM 0 HG SER A 22 5.627 -9.906 2.600 1.00 24.44 H new ATOM 389 N ALA A 23 3.598 -8.508 -0.793 1.00 55.54 N ATOM 390 CA ALA A 23 3.310 -9.188 -2.070 1.00 4.30 C ATOM 391 C ALA A 23 3.676 -8.331 -3.314 1.00 33.03 C ATOM 392 O ALA A 23 4.042 -8.878 -4.349 1.00 40.34 O ATOM 393 CB ALA A 23 1.825 -9.559 -2.100 1.00 23.45 C ATOM 0 H ALA A 23 2.797 -8.495 -0.162 1.00 55.54 H new ATOM 0 HA ALA A 23 3.935 -10.080 -2.123 1.00 4.30 H new ATOM 0 HB1 ALA A 23 1.595 -10.063 -3.039 1.00 23.45 H new ATOM 0 HB2 ALA A 23 1.599 -10.224 -1.266 1.00 23.45 H new ATOM 0 HB3 ALA A 23 1.222 -8.655 -2.017 1.00 23.45 H new ATOM 399 N ILE A 24 3.583 -6.986 -3.184 1.00 13.52 N ATOM 400 CA ILE A 24 3.877 -6.038 -4.293 1.00 31.41 C ATOM 401 C ILE A 24 5.373 -6.042 -4.705 1.00 30.42 C ATOM 402 O ILE A 24 5.695 -5.730 -5.852 1.00 75.35 O ATOM 403 CB ILE A 24 3.410 -4.562 -3.955 1.00 62.23 C ATOM 404 CG1 ILE A 24 4.145 -4.015 -2.687 1.00 21.12 C ATOM 405 CG2 ILE A 24 1.872 -4.498 -3.794 1.00 3.53 C ATOM 406 CD1 ILE A 24 3.608 -2.710 -2.115 1.00 34.10 C ATOM 0 H ILE A 24 3.305 -6.528 -2.316 1.00 13.52 H new ATOM 0 HA ILE A 24 3.298 -6.396 -5.144 1.00 31.41 H new ATOM 0 HB ILE A 24 3.683 -3.918 -4.791 1.00 62.23 H new ATOM 0 HG12 ILE A 24 4.099 -4.776 -1.908 1.00 21.12 H new ATOM 0 HG13 ILE A 24 5.197 -3.875 -2.934 1.00 21.12 H new ATOM 0 HG21 ILE A 24 1.573 -3.476 -3.562 1.00 3.53 H new ATOM 0 HG22 ILE A 24 1.396 -4.814 -4.722 1.00 3.53 H new ATOM 0 HG23 ILE A 24 1.563 -5.159 -2.984 1.00 3.53 H new ATOM 0 HD11 ILE A 24 4.194 -2.428 -1.240 1.00 34.10 H new ATOM 0 HD12 ILE A 24 3.680 -1.925 -2.868 1.00 34.10 H new ATOM 0 HD13 ILE A 24 2.565 -2.841 -1.827 1.00 34.10 H new ATOM 418 N SER A 25 6.270 -6.421 -3.775 1.00 24.24 N ATOM 419 CA SER A 25 7.732 -6.463 -4.044 1.00 35.41 C ATOM 420 C SER A 25 8.094 -7.593 -5.036 1.00 45.33 C ATOM 421 O SER A 25 9.073 -7.487 -5.783 1.00 22.44 O ATOM 422 CB SER A 25 8.518 -6.645 -2.725 1.00 2.02 C ATOM 423 OG SER A 25 8.387 -7.958 -2.202 1.00 22.14 O ATOM 0 H SER A 25 6.014 -6.704 -2.829 1.00 24.24 H new ATOM 0 HA SER A 25 8.011 -5.513 -4.499 1.00 35.41 H new ATOM 0 HB2 SER A 25 9.572 -6.428 -2.899 1.00 2.02 H new ATOM 0 HB3 SER A 25 8.161 -5.925 -1.989 1.00 2.02 H new ATOM 0 HG SER A 25 7.494 -8.068 -1.813 1.00 22.14 H new ATOM 429 N THR A 26 7.301 -8.686 -5.014 1.00 62.50 N ATOM 430 CA THR A 26 7.453 -9.816 -5.957 1.00 51.23 C ATOM 431 C THR A 26 6.387 -9.759 -7.075 1.00 61.52 C ATOM 432 O THR A 26 5.252 -9.359 -6.822 1.00 3.44 O ATOM 433 CB THR A 26 7.352 -11.214 -5.253 1.00 14.32 C ATOM 434 OG1 THR A 26 6.115 -11.325 -4.525 1.00 11.43 O ATOM 435 CG2 THR A 26 8.545 -11.472 -4.318 1.00 53.50 C ATOM 0 H THR A 26 6.541 -8.810 -4.345 1.00 62.50 H new ATOM 0 HA THR A 26 8.452 -9.710 -6.380 1.00 51.23 H new ATOM 0 HB THR A 26 7.374 -11.974 -6.034 1.00 14.32 H new ATOM 0 HG1 THR A 26 5.587 -10.509 -4.652 1.00 11.43 H new ATOM 0 HG21 THR A 26 8.436 -12.451 -3.851 1.00 53.50 H new ATOM 0 HG22 THR A 26 9.470 -11.446 -4.893 1.00 53.50 H new ATOM 0 HG23 THR A 26 8.575 -10.703 -3.546 1.00 53.50 H new ATOM 443 N PRO A 27 6.753 -10.150 -8.342 1.00 24.21 N ATOM 444 CA PRO A 27 5.779 -10.311 -9.454 1.00 54.01 C ATOM 445 C PRO A 27 4.618 -11.290 -9.102 1.00 50.43 C ATOM 446 O PRO A 27 3.463 -10.875 -8.994 1.00 12.21 O ATOM 447 CB PRO A 27 6.654 -10.852 -10.626 1.00 42.44 C ATOM 448 CG PRO A 27 7.931 -11.318 -9.981 1.00 75.45 C ATOM 449 CD PRO A 27 8.145 -10.405 -8.809 1.00 12.33 C ATOM 0 HA PRO A 27 5.271 -9.377 -9.693 1.00 54.01 H new ATOM 0 HB2 PRO A 27 6.154 -11.669 -11.146 1.00 42.44 H new ATOM 0 HB3 PRO A 27 6.847 -10.074 -11.365 1.00 42.44 H new ATOM 0 HG2 PRO A 27 7.852 -12.357 -9.660 1.00 75.45 H new ATOM 0 HG3 PRO A 27 8.766 -11.263 -10.679 1.00 75.45 H new ATOM 0 HD2 PRO A 27 8.753 -10.873 -8.035 1.00 12.33 H new ATOM 0 HD3 PRO A 27 8.651 -9.484 -9.099 1.00 12.33 H new ATOM 457 N THR A 28 4.950 -12.583 -8.892 1.00 41.42 N ATOM 458 CA THR A 28 3.958 -13.647 -8.573 1.00 54.31 C ATOM 459 C THR A 28 3.054 -13.318 -7.349 1.00 23.13 C ATOM 460 O THR A 28 1.900 -13.751 -7.304 1.00 1.11 O ATOM 461 CB THR A 28 4.671 -15.024 -8.360 1.00 61.31 C ATOM 462 OG1 THR A 28 3.710 -16.054 -8.066 1.00 15.55 O ATOM 463 CG2 THR A 28 5.730 -14.969 -7.241 1.00 64.52 C ATOM 0 H THR A 28 5.910 -12.923 -8.938 1.00 41.42 H new ATOM 0 HA THR A 28 3.297 -13.703 -9.438 1.00 54.31 H new ATOM 0 HB THR A 28 5.184 -15.259 -9.293 1.00 61.31 H new ATOM 0 HG1 THR A 28 4.174 -16.907 -7.938 1.00 15.55 H new ATOM 0 HG21 THR A 28 6.196 -15.948 -7.132 1.00 64.52 H new ATOM 0 HG22 THR A 28 6.491 -14.232 -7.496 1.00 64.52 H new ATOM 0 HG23 THR A 28 5.253 -14.688 -6.302 1.00 64.52 H new ATOM 471 N GLY A 29 3.584 -12.532 -6.388 1.00 71.23 N ATOM 472 CA GLY A 29 2.802 -12.058 -5.232 1.00 43.33 C ATOM 473 C GLY A 29 1.821 -10.928 -5.584 1.00 1.30 C ATOM 474 O GLY A 29 0.695 -10.888 -5.078 1.00 71.21 O ATOM 0 H GLY A 29 4.553 -12.213 -6.392 1.00 71.23 H new ATOM 0 HA2 GLY A 29 2.245 -12.895 -4.811 1.00 43.33 H new ATOM 0 HA3 GLY A 29 3.486 -11.708 -4.458 1.00 43.33 H new ATOM 478 N LEU A 30 2.268 -10.022 -6.466 1.00 14.11 N ATOM 479 CA LEU A 30 1.510 -8.818 -6.892 1.00 11.32 C ATOM 480 C LEU A 30 0.201 -9.206 -7.645 1.00 30.44 C ATOM 481 O LEU A 30 -0.864 -8.612 -7.423 1.00 11.23 O ATOM 482 CB LEU A 30 2.446 -7.916 -7.782 1.00 53.12 C ATOM 483 CG LEU A 30 2.341 -6.365 -7.599 1.00 62.32 C ATOM 484 CD1 LEU A 30 3.480 -5.628 -8.332 1.00 64.11 C ATOM 485 CD2 LEU A 30 0.981 -5.822 -8.039 1.00 32.11 C ATOM 0 H LEU A 30 3.180 -10.099 -6.915 1.00 14.11 H new ATOM 0 HA LEU A 30 1.203 -8.254 -6.011 1.00 11.32 H new ATOM 0 HB2 LEU A 30 3.478 -8.208 -7.589 1.00 53.12 H new ATOM 0 HB3 LEU A 30 2.240 -8.146 -8.827 1.00 53.12 H new ATOM 0 HG LEU A 30 2.443 -6.173 -6.531 1.00 62.32 H new ATOM 0 HD11 LEU A 30 3.374 -4.554 -8.182 1.00 64.11 H new ATOM 0 HD12 LEU A 30 4.441 -5.957 -7.935 1.00 64.11 H new ATOM 0 HD13 LEU A 30 3.432 -5.852 -9.398 1.00 64.11 H new ATOM 0 HD21 LEU A 30 0.956 -4.742 -7.893 1.00 32.11 H new ATOM 0 HD22 LEU A 30 0.822 -6.050 -9.093 1.00 32.11 H new ATOM 0 HD23 LEU A 30 0.194 -6.287 -7.445 1.00 32.11 H new ATOM 497 N GLU A 31 0.291 -10.229 -8.511 1.00 61.44 N ATOM 498 CA GLU A 31 -0.850 -10.684 -9.352 1.00 72.14 C ATOM 499 C GLU A 31 -1.876 -11.562 -8.581 1.00 51.13 C ATOM 500 O GLU A 31 -2.915 -11.915 -9.143 1.00 52.24 O ATOM 501 CB GLU A 31 -0.327 -11.445 -10.598 1.00 75.34 C ATOM 502 CG GLU A 31 0.516 -12.697 -10.280 1.00 60.30 C ATOM 503 CD GLU A 31 1.057 -13.398 -11.533 1.00 55.23 C ATOM 504 OE1 GLU A 31 1.835 -12.768 -12.277 1.00 73.04 O ATOM 505 OE2 GLU A 31 0.709 -14.568 -11.791 1.00 1.32 O ATOM 0 H GLU A 31 1.146 -10.766 -8.654 1.00 61.44 H new ATOM 0 HA GLU A 31 -1.383 -9.784 -9.661 1.00 72.14 H new ATOM 0 HB2 GLU A 31 -1.179 -11.743 -11.209 1.00 75.34 H new ATOM 0 HB3 GLU A 31 0.274 -10.762 -11.199 1.00 75.34 H new ATOM 0 HG2 GLU A 31 1.352 -12.411 -9.642 1.00 60.30 H new ATOM 0 HG3 GLU A 31 -0.092 -13.401 -9.712 1.00 60.30 H new ATOM 512 N ASP A 32 -1.591 -11.917 -7.304 1.00 20.32 N ATOM 513 CA ASP A 32 -2.556 -12.667 -6.448 1.00 64.02 C ATOM 514 C ASP A 32 -3.836 -11.840 -6.130 1.00 33.42 C ATOM 515 O ASP A 32 -4.891 -12.414 -5.837 1.00 70.04 O ATOM 516 CB ASP A 32 -1.894 -13.108 -5.111 1.00 23.12 C ATOM 517 CG ASP A 32 -0.959 -14.317 -5.250 1.00 11.24 C ATOM 518 OD1 ASP A 32 -1.447 -15.409 -5.608 1.00 41.33 O ATOM 519 OD2 ASP A 32 0.246 -14.196 -4.972 1.00 21.32 O ATOM 0 H ASP A 32 -0.708 -11.700 -6.842 1.00 20.32 H new ATOM 0 HA ASP A 32 -2.849 -13.546 -7.022 1.00 64.02 H new ATOM 0 HB2 ASP A 32 -1.330 -12.270 -4.702 1.00 23.12 H new ATOM 0 HB3 ASP A 32 -2.676 -13.347 -4.391 1.00 23.12 H new ATOM 524 N TRP A 33 -3.734 -10.499 -6.202 1.00 73.24 N ATOM 525 CA TRP A 33 -4.783 -9.583 -5.686 1.00 71.10 C ATOM 526 C TRP A 33 -4.970 -8.317 -6.558 1.00 42.21 C ATOM 527 O TRP A 33 -6.101 -7.847 -6.734 1.00 14.43 O ATOM 528 CB TRP A 33 -4.480 -9.206 -4.197 1.00 60.24 C ATOM 529 CG TRP A 33 -3.092 -8.627 -3.910 1.00 14.52 C ATOM 530 CD1 TRP A 33 -1.880 -9.107 -4.342 1.00 3.11 C ATOM 531 CD2 TRP A 33 -2.780 -7.508 -3.063 1.00 73.40 C ATOM 532 NE1 TRP A 33 -0.861 -8.341 -3.857 1.00 70.43 N ATOM 533 CE2 TRP A 33 -1.380 -7.360 -3.061 1.00 45.54 C ATOM 534 CE3 TRP A 33 -3.549 -6.610 -2.320 1.00 52.12 C ATOM 535 CZ2 TRP A 33 -0.737 -6.360 -2.341 1.00 64.30 C ATOM 536 CZ3 TRP A 33 -2.905 -5.619 -1.601 1.00 32.30 C ATOM 537 CH2 TRP A 33 -1.511 -5.499 -1.618 1.00 42.31 C ATOM 0 H TRP A 33 -2.934 -10.019 -6.614 1.00 73.24 H new ATOM 0 HA TRP A 33 -5.730 -10.120 -5.735 1.00 71.10 H new ATOM 0 HB2 TRP A 33 -5.226 -8.482 -3.869 1.00 60.24 H new ATOM 0 HB3 TRP A 33 -4.611 -10.099 -3.585 1.00 60.24 H new ATOM 0 HD1 TRP A 33 -1.752 -9.971 -4.977 1.00 3.11 H new ATOM 0 HE1 TRP A 33 0.130 -8.479 -4.057 1.00 70.43 H new ATOM 0 HE3 TRP A 33 -4.626 -6.688 -2.307 1.00 52.12 H new ATOM 0 HZ2 TRP A 33 0.339 -6.267 -2.353 1.00 64.30 H new ATOM 0 HZ3 TRP A 33 -3.489 -4.925 -1.015 1.00 32.30 H new ATOM 0 HH2 TRP A 33 -1.039 -4.711 -1.049 1.00 42.31 H new ATOM 548 N PHE A 34 -3.874 -7.762 -7.100 1.00 53.14 N ATOM 549 CA PHE A 34 -3.928 -6.492 -7.877 1.00 41.14 C ATOM 550 C PHE A 34 -4.462 -6.707 -9.325 1.00 63.34 C ATOM 551 O PHE A 34 -5.585 -6.302 -9.639 1.00 43.21 O ATOM 552 CB PHE A 34 -2.529 -5.827 -7.897 1.00 62.00 C ATOM 553 CG PHE A 34 -2.457 -4.461 -8.596 1.00 51.41 C ATOM 554 CD1 PHE A 34 -3.020 -3.326 -8.010 1.00 21.23 C ATOM 555 CD2 PHE A 34 -1.819 -4.309 -9.834 1.00 31.31 C ATOM 556 CE1 PHE A 34 -2.950 -2.093 -8.636 1.00 44.40 C ATOM 557 CE2 PHE A 34 -1.750 -3.076 -10.457 1.00 35.22 C ATOM 558 CZ PHE A 34 -2.316 -1.969 -9.860 1.00 0.35 C ATOM 0 H PHE A 34 -2.939 -8.163 -7.021 1.00 53.14 H new ATOM 0 HA PHE A 34 -4.634 -5.828 -7.379 1.00 41.14 H new ATOM 0 HB2 PHE A 34 -2.188 -5.708 -6.869 1.00 62.00 H new ATOM 0 HB3 PHE A 34 -1.831 -6.505 -8.388 1.00 62.00 H new ATOM 0 HD1 PHE A 34 -3.517 -3.411 -7.055 1.00 21.23 H new ATOM 0 HD2 PHE A 34 -1.373 -5.170 -10.310 1.00 31.31 H new ATOM 0 HE1 PHE A 34 -3.391 -1.226 -8.168 1.00 44.40 H new ATOM 0 HE2 PHE A 34 -1.253 -2.980 -11.411 1.00 35.22 H new ATOM 0 HZ PHE A 34 -2.265 -1.006 -10.347 1.00 0.35 H new ATOM 568 N ALA A 35 -3.653 -7.350 -10.191 1.00 5.21 N ATOM 569 CA ALA A 35 -3.984 -7.542 -11.635 1.00 21.00 C ATOM 570 C ALA A 35 -4.129 -9.042 -11.993 1.00 45.51 C ATOM 571 O ALA A 35 -3.822 -9.912 -11.171 1.00 42.22 O ATOM 572 CB ALA A 35 -2.900 -6.874 -12.507 1.00 40.32 C ATOM 0 H ALA A 35 -2.755 -7.752 -9.921 1.00 5.21 H new ATOM 0 HA ALA A 35 -4.947 -7.070 -11.833 1.00 21.00 H new ATOM 0 HB1 ALA A 35 -3.143 -7.015 -13.560 1.00 40.32 H new ATOM 0 HB2 ALA A 35 -2.859 -5.808 -12.283 1.00 40.32 H new ATOM 0 HB3 ALA A 35 -1.932 -7.327 -12.294 1.00 40.32 H new ATOM 578 N ASP A 36 -4.601 -9.322 -13.229 1.00 2.30 N ATOM 579 CA ASP A 36 -4.766 -10.706 -13.754 1.00 22.22 C ATOM 580 C ASP A 36 -3.426 -11.477 -13.773 1.00 13.13 C ATOM 581 O ASP A 36 -3.283 -12.535 -13.152 1.00 42.34 O ATOM 582 CB ASP A 36 -5.346 -10.665 -15.189 1.00 50.01 C ATOM 583 CG ASP A 36 -6.710 -9.972 -15.253 1.00 63.05 C ATOM 584 OD1 ASP A 36 -7.732 -10.613 -14.929 1.00 73.53 O ATOM 585 OD2 ASP A 36 -6.771 -8.784 -15.615 1.00 41.11 O ATOM 0 H ASP A 36 -4.879 -8.600 -13.893 1.00 2.30 H new ATOM 0 HA ASP A 36 -5.452 -11.226 -13.086 1.00 22.22 H new ATOM 0 HB2 ASP A 36 -4.647 -10.145 -15.845 1.00 50.01 H new ATOM 0 HB3 ASP A 36 -5.441 -11.683 -15.568 1.00 50.01 H new ATOM 590 N LYS A 37 -2.455 -10.914 -14.500 1.00 64.32 N ATOM 591 CA LYS A 37 -1.116 -11.494 -14.669 1.00 75.03 C ATOM 592 C LYS A 37 -0.091 -10.359 -14.769 1.00 21.33 C ATOM 593 O LYS A 37 -0.250 -9.459 -15.586 1.00 31.04 O ATOM 594 CB LYS A 37 -1.071 -12.361 -15.962 1.00 0.52 C ATOM 595 CG LYS A 37 0.254 -13.129 -16.173 1.00 31.11 C ATOM 596 CD LYS A 37 0.405 -14.322 -15.198 1.00 52.45 C ATOM 597 CE LYS A 37 1.788 -14.990 -15.266 1.00 1.54 C ATOM 598 NZ LYS A 37 2.858 -14.112 -14.721 1.00 1.40 N ATOM 0 H LYS A 37 -2.578 -10.031 -14.995 1.00 64.32 H new ATOM 0 HA LYS A 37 -0.882 -12.128 -13.814 1.00 75.03 H new ATOM 0 HB2 LYS A 37 -1.891 -13.078 -15.932 1.00 0.52 H new ATOM 0 HB3 LYS A 37 -1.243 -11.716 -16.823 1.00 0.52 H new ATOM 0 HG2 LYS A 37 0.300 -13.494 -17.199 1.00 31.11 H new ATOM 0 HG3 LYS A 37 1.092 -12.445 -16.039 1.00 31.11 H new ATOM 0 HD2 LYS A 37 0.226 -13.976 -14.180 1.00 52.45 H new ATOM 0 HD3 LYS A 37 -0.361 -15.064 -15.421 1.00 52.45 H new ATOM 0 HE2 LYS A 37 1.767 -15.925 -14.707 1.00 1.54 H new ATOM 0 HE3 LYS A 37 2.018 -15.242 -16.301 1.00 1.54 H new ATOM 0 HZ1 LYS A 37 3.698 -14.684 -14.501 1.00 1.40 H new ATOM 0 HZ2 LYS A 37 3.107 -13.389 -15.426 1.00 1.40 H new ATOM 0 HZ3 LYS A 37 2.518 -13.648 -13.855 1.00 1.40 H new ATOM 612 N VAL A 38 0.953 -10.377 -13.937 1.00 65.01 N ATOM 613 CA VAL A 38 2.035 -9.377 -14.020 1.00 41.34 C ATOM 614 C VAL A 38 3.363 -10.057 -14.442 1.00 73.14 C ATOM 615 O VAL A 38 3.815 -11.036 -13.830 1.00 0.10 O ATOM 616 CB VAL A 38 2.190 -8.542 -12.687 1.00 31.32 C ATOM 617 CG1 VAL A 38 0.849 -7.872 -12.287 1.00 70.32 C ATOM 618 CG2 VAL A 38 2.739 -9.377 -11.518 1.00 3.14 C ATOM 0 H VAL A 38 1.077 -11.069 -13.198 1.00 65.01 H new ATOM 0 HA VAL A 38 1.763 -8.655 -14.790 1.00 41.34 H new ATOM 0 HB VAL A 38 2.925 -7.766 -12.899 1.00 31.32 H new ATOM 0 HG11 VAL A 38 0.986 -7.305 -11.367 1.00 70.32 H new ATOM 0 HG12 VAL A 38 0.526 -7.200 -13.083 1.00 70.32 H new ATOM 0 HG13 VAL A 38 0.091 -8.640 -12.130 1.00 70.32 H new ATOM 0 HG21 VAL A 38 2.823 -8.750 -10.631 1.00 3.14 H new ATOM 0 HG22 VAL A 38 2.061 -10.206 -11.313 1.00 3.14 H new ATOM 0 HG23 VAL A 38 3.722 -9.768 -11.780 1.00 3.14 H new ATOM 628 N VAL A 39 3.928 -9.593 -15.563 1.00 53.40 N ATOM 629 CA VAL A 39 5.250 -10.031 -16.043 1.00 34.23 C ATOM 630 C VAL A 39 6.297 -8.973 -15.654 1.00 43.34 C ATOM 631 O VAL A 39 6.234 -7.842 -16.120 1.00 3.43 O ATOM 632 CB VAL A 39 5.242 -10.236 -17.606 1.00 41.22 C ATOM 633 CG1 VAL A 39 6.635 -10.673 -18.143 1.00 65.42 C ATOM 634 CG2 VAL A 39 4.140 -11.245 -18.028 1.00 12.23 C ATOM 0 H VAL A 39 3.483 -8.902 -16.166 1.00 53.40 H new ATOM 0 HA VAL A 39 5.498 -10.987 -15.582 1.00 34.23 H new ATOM 0 HB VAL A 39 5.012 -9.271 -18.057 1.00 41.22 H new ATOM 0 HG11 VAL A 39 6.584 -10.803 -19.224 1.00 65.42 H new ATOM 0 HG12 VAL A 39 7.374 -9.908 -17.904 1.00 65.42 H new ATOM 0 HG13 VAL A 39 6.925 -11.615 -17.678 1.00 65.42 H new ATOM 0 HG21 VAL A 39 4.155 -11.369 -19.111 1.00 12.23 H new ATOM 0 HG22 VAL A 39 4.325 -12.207 -17.550 1.00 12.23 H new ATOM 0 HG23 VAL A 39 3.165 -10.869 -17.720 1.00 12.23 H new ATOM 644 N SER A 40 7.261 -9.338 -14.803 1.00 12.53 N ATOM 645 CA SER A 40 8.314 -8.402 -14.353 1.00 64.03 C ATOM 646 C SER A 40 9.607 -8.577 -15.164 1.00 32.42 C ATOM 647 O SER A 40 9.973 -9.688 -15.552 1.00 11.51 O ATOM 648 CB SER A 40 8.608 -8.591 -12.852 1.00 34.42 C ATOM 649 OG SER A 40 9.585 -7.662 -12.386 1.00 1.11 O ATOM 0 H SER A 40 7.340 -10.275 -14.407 1.00 12.53 H new ATOM 0 HA SER A 40 7.941 -7.391 -14.518 1.00 64.03 H new ATOM 0 HB2 SER A 40 7.687 -8.467 -12.282 1.00 34.42 H new ATOM 0 HB3 SER A 40 8.959 -9.608 -12.675 1.00 34.42 H new ATOM 0 HG SER A 40 9.530 -6.838 -12.913 1.00 1.11 H new ATOM 655 N ASP A 41 10.267 -7.450 -15.433 1.00 41.10 N ATOM 656 CA ASP A 41 11.638 -7.409 -15.954 1.00 23.15 C ATOM 657 C ASP A 41 12.620 -8.048 -14.929 1.00 43.40 C ATOM 658 O ASP A 41 13.317 -9.024 -15.240 1.00 10.11 O ATOM 659 CB ASP A 41 12.006 -5.925 -16.232 1.00 64.42 C ATOM 660 CG ASP A 41 13.458 -5.717 -16.697 1.00 14.24 C ATOM 661 OD1 ASP A 41 13.743 -5.954 -17.888 1.00 12.22 O ATOM 662 OD2 ASP A 41 14.319 -5.317 -15.873 1.00 33.02 O ATOM 0 H ASP A 41 9.860 -6.525 -15.294 1.00 41.10 H new ATOM 0 HA ASP A 41 11.712 -7.981 -16.879 1.00 23.15 H new ATOM 0 HB2 ASP A 41 11.332 -5.530 -16.992 1.00 64.42 H new ATOM 0 HB3 ASP A 41 11.839 -5.344 -15.325 1.00 64.42 H new ATOM 667 N ASP A 42 12.588 -7.482 -13.702 1.00 52.13 N ATOM 668 CA ASP A 42 13.485 -7.805 -12.562 1.00 54.41 C ATOM 669 C ASP A 42 13.343 -6.676 -11.511 1.00 12.13 C ATOM 670 O ASP A 42 13.166 -6.905 -10.309 1.00 11.14 O ATOM 671 CB ASP A 42 14.982 -7.911 -13.006 1.00 24.15 C ATOM 672 CG ASP A 42 15.919 -8.365 -11.881 1.00 41.40 C ATOM 673 OD1 ASP A 42 15.943 -9.575 -11.569 1.00 21.01 O ATOM 674 OD2 ASP A 42 16.640 -7.520 -11.303 1.00 53.41 O ATOM 0 H ASP A 42 11.910 -6.758 -13.466 1.00 52.13 H new ATOM 0 HA ASP A 42 13.197 -8.773 -12.152 1.00 54.41 H new ATOM 0 HB2 ASP A 42 15.058 -8.612 -13.837 1.00 24.15 H new ATOM 0 HB3 ASP A 42 15.313 -6.941 -13.376 1.00 24.15 H new ATOM 679 N LYS A 43 13.405 -5.448 -12.040 1.00 3.01 N ATOM 680 CA LYS A 43 13.411 -4.174 -11.287 1.00 42.43 C ATOM 681 C LYS A 43 12.191 -3.294 -11.668 1.00 71.02 C ATOM 682 O LYS A 43 11.958 -2.238 -11.066 1.00 75.45 O ATOM 683 CB LYS A 43 14.750 -3.447 -11.597 1.00 1.31 C ATOM 684 CG LYS A 43 15.114 -3.447 -13.104 1.00 33.35 C ATOM 685 CD LYS A 43 16.497 -2.841 -13.413 1.00 22.31 C ATOM 686 CE LYS A 43 16.964 -3.145 -14.853 1.00 21.31 C ATOM 687 NZ LYS A 43 15.944 -2.780 -15.874 1.00 35.25 N ATOM 0 H LYS A 43 13.455 -5.302 -13.048 1.00 3.01 H new ATOM 0 HA LYS A 43 13.331 -4.369 -10.218 1.00 42.43 H new ATOM 0 HB2 LYS A 43 14.686 -2.417 -11.246 1.00 1.31 H new ATOM 0 HB3 LYS A 43 15.553 -3.925 -11.036 1.00 1.31 H new ATOM 0 HG2 LYS A 43 15.086 -4.472 -13.474 1.00 33.35 H new ATOM 0 HG3 LYS A 43 14.354 -2.890 -13.651 1.00 33.35 H new ATOM 0 HD2 LYS A 43 16.459 -1.762 -13.267 1.00 22.31 H new ATOM 0 HD3 LYS A 43 17.229 -3.233 -12.706 1.00 22.31 H new ATOM 0 HE2 LYS A 43 17.886 -2.600 -15.055 1.00 21.31 H new ATOM 0 HE3 LYS A 43 17.196 -4.207 -14.939 1.00 21.31 H new ATOM 0 HZ1 LYS A 43 16.415 -2.579 -16.779 1.00 35.25 H new ATOM 0 HZ2 LYS A 43 15.279 -3.570 -15.998 1.00 35.25 H new ATOM 0 HZ3 LYS A 43 15.424 -1.936 -15.559 1.00 35.25 H new ATOM 701 N THR A 44 11.433 -3.743 -12.687 1.00 42.52 N ATOM 702 CA THR A 44 10.186 -3.089 -13.153 1.00 55.31 C ATOM 703 C THR A 44 9.098 -4.157 -13.373 1.00 10.32 C ATOM 704 O THR A 44 9.327 -5.120 -14.092 1.00 23.24 O ATOM 705 CB THR A 44 10.398 -2.311 -14.500 1.00 13.21 C ATOM 706 OG1 THR A 44 11.443 -1.336 -14.352 1.00 43.10 O ATOM 707 CG2 THR A 44 9.107 -1.605 -14.974 1.00 32.12 C ATOM 0 H THR A 44 11.669 -4.581 -13.219 1.00 42.52 H new ATOM 0 HA THR A 44 9.885 -2.375 -12.386 1.00 55.31 H new ATOM 0 HB THR A 44 10.678 -3.047 -15.253 1.00 13.21 H new ATOM 0 HG1 THR A 44 11.567 -0.859 -15.199 1.00 43.10 H new ATOM 0 HG21 THR A 44 9.302 -1.080 -15.909 1.00 32.12 H new ATOM 0 HG22 THR A 44 8.323 -2.346 -15.131 1.00 32.12 H new ATOM 0 HG23 THR A 44 8.784 -0.890 -14.217 1.00 32.12 H new ATOM 715 N VAL A 45 7.921 -3.979 -12.762 1.00 62.32 N ATOM 716 CA VAL A 45 6.779 -4.906 -12.921 1.00 12.24 C ATOM 717 C VAL A 45 5.792 -4.366 -13.987 1.00 70.52 C ATOM 718 O VAL A 45 5.300 -3.235 -13.871 1.00 14.54 O ATOM 719 CB VAL A 45 6.024 -5.131 -11.559 1.00 51.31 C ATOM 720 CG1 VAL A 45 4.903 -6.193 -11.716 1.00 60.41 C ATOM 721 CG2 VAL A 45 7.012 -5.522 -10.426 1.00 50.33 C ATOM 0 H VAL A 45 7.727 -3.192 -12.143 1.00 62.32 H new ATOM 0 HA VAL A 45 7.177 -5.866 -13.250 1.00 12.24 H new ATOM 0 HB VAL A 45 5.556 -4.188 -11.277 1.00 51.31 H new ATOM 0 HG11 VAL A 45 4.396 -6.331 -10.761 1.00 60.41 H new ATOM 0 HG12 VAL A 45 4.184 -5.856 -12.463 1.00 60.41 H new ATOM 0 HG13 VAL A 45 5.340 -7.139 -12.034 1.00 60.41 H new ATOM 0 HG21 VAL A 45 6.461 -5.671 -9.498 1.00 50.33 H new ATOM 0 HG22 VAL A 45 7.526 -6.445 -10.694 1.00 50.33 H new ATOM 0 HG23 VAL A 45 7.743 -4.725 -10.290 1.00 50.33 H new ATOM 731 N THR A 46 5.513 -5.181 -15.020 1.00 64.23 N ATOM 732 CA THR A 46 4.568 -4.823 -16.104 1.00 74.52 C ATOM 733 C THR A 46 3.192 -5.483 -15.835 1.00 73.21 C ATOM 734 O THR A 46 3.076 -6.715 -15.883 1.00 51.34 O ATOM 735 CB THR A 46 5.103 -5.294 -17.512 1.00 61.21 C ATOM 736 OG1 THR A 46 6.537 -5.193 -17.566 1.00 34.01 O ATOM 737 CG2 THR A 46 4.509 -4.464 -18.662 1.00 63.31 C ATOM 0 H THR A 46 5.932 -6.104 -15.131 1.00 64.23 H new ATOM 0 HA THR A 46 4.468 -3.738 -16.118 1.00 74.52 H new ATOM 0 HB THR A 46 4.793 -6.332 -17.634 1.00 61.21 H new ATOM 0 HG1 THR A 46 6.798 -4.249 -17.588 1.00 34.01 H new ATOM 0 HG21 THR A 46 4.905 -4.823 -19.612 1.00 63.31 H new ATOM 0 HG22 THR A 46 3.424 -4.564 -18.660 1.00 63.31 H new ATOM 0 HG23 THR A 46 4.777 -3.416 -18.530 1.00 63.31 H new ATOM 745 N PHE A 47 2.160 -4.672 -15.550 1.00 34.45 N ATOM 746 CA PHE A 47 0.810 -5.180 -15.213 1.00 32.41 C ATOM 747 C PHE A 47 0.030 -5.514 -16.502 1.00 54.53 C ATOM 748 O PHE A 47 -0.440 -4.608 -17.195 1.00 63.04 O ATOM 749 CB PHE A 47 0.020 -4.134 -14.387 1.00 74.12 C ATOM 750 CG PHE A 47 0.804 -3.478 -13.255 1.00 63.53 C ATOM 751 CD1 PHE A 47 1.240 -4.218 -12.159 1.00 11.33 C ATOM 752 CD2 PHE A 47 1.089 -2.113 -13.278 1.00 65.51 C ATOM 753 CE1 PHE A 47 1.932 -3.617 -11.126 1.00 51.41 C ATOM 754 CE2 PHE A 47 1.783 -1.513 -12.247 1.00 61.35 C ATOM 755 CZ PHE A 47 2.204 -2.265 -11.168 1.00 73.11 C ATOM 0 H PHE A 47 2.231 -3.654 -15.545 1.00 34.45 H new ATOM 0 HA PHE A 47 0.927 -6.084 -14.616 1.00 32.41 H new ATOM 0 HB2 PHE A 47 -0.335 -3.355 -15.061 1.00 74.12 H new ATOM 0 HB3 PHE A 47 -0.861 -4.617 -13.965 1.00 74.12 H new ATOM 0 HD1 PHE A 47 1.034 -5.277 -12.116 1.00 11.33 H new ATOM 0 HD2 PHE A 47 0.761 -1.516 -14.116 1.00 65.51 H new ATOM 0 HE1 PHE A 47 2.261 -4.207 -10.283 1.00 51.41 H new ATOM 0 HE2 PHE A 47 1.997 -0.455 -12.284 1.00 61.35 H new ATOM 0 HZ PHE A 47 2.745 -1.796 -10.359 1.00 73.11 H new ATOM 765 N CYS A 48 -0.081 -6.811 -16.825 1.00 54.14 N ATOM 766 CA CYS A 48 -0.751 -7.284 -18.055 1.00 51.24 C ATOM 767 C CYS A 48 -2.216 -7.702 -17.776 1.00 30.23 C ATOM 768 O CYS A 48 -2.475 -8.678 -17.060 1.00 41.14 O ATOM 769 CB CYS A 48 0.037 -8.465 -18.664 1.00 63.24 C ATOM 770 SG CYS A 48 -0.694 -9.159 -20.169 1.00 74.34 S ATOM 0 H CYS A 48 0.289 -7.564 -16.245 1.00 54.14 H new ATOM 0 HA CYS A 48 -0.771 -6.460 -18.768 1.00 51.24 H new ATOM 0 HB2 CYS A 48 1.051 -8.132 -18.888 1.00 63.24 H new ATOM 0 HB3 CYS A 48 0.118 -9.255 -17.917 1.00 63.24 H new ATOM 0 HG CYS A 48 -1.322 -8.224 -20.817 1.00 74.34 H new ATOM 776 N TRP A 49 -3.170 -6.938 -18.328 1.00 32.34 N ATOM 777 CA TRP A 49 -4.616 -7.265 -18.265 1.00 64.22 C ATOM 778 C TRP A 49 -5.102 -7.925 -19.576 1.00 25.20 C ATOM 779 O TRP A 49 -6.265 -8.326 -19.677 1.00 62.51 O ATOM 780 CB TRP A 49 -5.437 -5.987 -17.970 1.00 31.21 C ATOM 781 CG TRP A 49 -5.102 -5.336 -16.645 1.00 43.21 C ATOM 782 CD1 TRP A 49 -5.543 -5.716 -15.409 1.00 53.45 C ATOM 783 CD2 TRP A 49 -4.261 -4.193 -16.430 1.00 70.41 C ATOM 784 NE1 TRP A 49 -5.037 -4.884 -14.448 1.00 23.43 N ATOM 785 CE2 TRP A 49 -4.246 -3.943 -15.045 1.00 5.04 C ATOM 786 CE3 TRP A 49 -3.525 -3.359 -17.275 1.00 12.40 C ATOM 787 CZ2 TRP A 49 -3.528 -2.893 -14.484 1.00 63.13 C ATOM 788 CZ3 TRP A 49 -2.806 -2.321 -16.717 1.00 72.10 C ATOM 789 CH2 TRP A 49 -2.811 -2.094 -15.333 1.00 13.20 C ATOM 0 H TRP A 49 -2.969 -6.075 -18.832 1.00 32.34 H new ATOM 0 HA TRP A 49 -4.766 -7.981 -17.457 1.00 64.22 H new ATOM 0 HB2 TRP A 49 -5.270 -5.266 -18.771 1.00 31.21 H new ATOM 0 HB3 TRP A 49 -6.498 -6.237 -17.983 1.00 31.21 H new ATOM 0 HD1 TRP A 49 -6.198 -6.554 -15.218 1.00 53.45 H new ATOM 0 HE1 TRP A 49 -5.221 -4.955 -13.447 1.00 23.43 H new ATOM 0 HE3 TRP A 49 -3.519 -3.523 -18.342 1.00 12.40 H new ATOM 0 HZ2 TRP A 49 -3.536 -2.715 -13.419 1.00 63.13 H new ATOM 0 HZ3 TRP A 49 -2.229 -1.671 -17.358 1.00 72.10 H new ATOM 0 HH2 TRP A 49 -2.238 -1.273 -14.929 1.00 13.20 H new ATOM 800 N GLY A 50 -4.203 -8.028 -20.578 1.00 24.52 N ATOM 801 CA GLY A 50 -4.539 -8.668 -21.854 1.00 64.33 C ATOM 802 C GLY A 50 -3.549 -8.358 -22.980 1.00 12.13 C ATOM 803 O GLY A 50 -2.339 -8.310 -22.753 1.00 21.34 O ATOM 0 H GLY A 50 -3.247 -7.677 -20.523 1.00 24.52 H new ATOM 0 HA2 GLY A 50 -4.583 -9.747 -21.708 1.00 64.33 H new ATOM 0 HA3 GLY A 50 -5.535 -8.347 -22.160 1.00 64.33 H new ATOM 807 N LYS A 51 -4.089 -8.129 -24.197 1.00 21.42 N ATOM 808 CA LYS A 51 -3.301 -8.028 -25.455 1.00 71.30 C ATOM 809 C LYS A 51 -2.343 -6.796 -25.480 1.00 5.41 C ATOM 810 O LYS A 51 -1.133 -6.943 -25.257 1.00 55.41 O ATOM 811 CB LYS A 51 -4.278 -8.017 -26.662 1.00 24.34 C ATOM 812 CG LYS A 51 -3.604 -8.121 -28.051 1.00 14.25 C ATOM 813 CD LYS A 51 -4.622 -8.147 -29.219 1.00 75.53 C ATOM 814 CE LYS A 51 -5.623 -9.316 -29.117 1.00 61.52 C ATOM 815 NZ LYS A 51 -4.947 -10.641 -29.065 1.00 13.35 N ATOM 0 H LYS A 51 -5.092 -8.007 -24.340 1.00 21.42 H new ATOM 0 HA LYS A 51 -2.649 -8.899 -25.517 1.00 71.30 H new ATOM 0 HB2 LYS A 51 -4.977 -8.846 -26.551 1.00 24.34 H new ATOM 0 HB3 LYS A 51 -4.864 -7.099 -26.627 1.00 24.34 H new ATOM 0 HG2 LYS A 51 -2.928 -7.276 -28.185 1.00 14.25 H new ATOM 0 HG3 LYS A 51 -2.996 -9.025 -28.087 1.00 14.25 H new ATOM 0 HD2 LYS A 51 -5.171 -7.206 -29.237 1.00 75.53 H new ATOM 0 HD3 LYS A 51 -4.082 -8.219 -30.163 1.00 75.53 H new ATOM 0 HE2 LYS A 51 -6.236 -9.189 -28.225 1.00 61.52 H new ATOM 0 HE3 LYS A 51 -6.297 -9.289 -29.973 1.00 61.52 H new ATOM 0 HZ1 LYS A 51 -5.663 -11.395 -29.048 1.00 13.35 H new ATOM 0 HZ2 LYS A 51 -4.343 -10.756 -29.904 1.00 13.35 H new ATOM 0 HZ3 LYS A 51 -4.363 -10.699 -28.207 1.00 13.35 H new ATOM 829 N THR A 52 -2.890 -5.583 -25.731 1.00 10.32 N ATOM 830 CA THR A 52 -2.104 -4.317 -25.721 1.00 61.43 C ATOM 831 C THR A 52 -2.256 -3.605 -24.339 1.00 70.45 C ATOM 832 O THR A 52 -2.018 -2.399 -24.186 1.00 75.10 O ATOM 833 CB THR A 52 -2.552 -3.371 -26.904 1.00 33.05 C ATOM 834 OG1 THR A 52 -2.754 -4.155 -28.100 1.00 22.42 O ATOM 835 CG2 THR A 52 -1.510 -2.273 -27.214 1.00 4.52 C ATOM 0 H THR A 52 -3.878 -5.450 -25.945 1.00 10.32 H new ATOM 0 HA THR A 52 -1.051 -4.555 -25.871 1.00 61.43 H new ATOM 0 HB THR A 52 -3.475 -2.885 -26.588 1.00 33.05 H new ATOM 0 HG1 THR A 52 -3.034 -3.568 -28.833 1.00 22.42 H new ATOM 0 HG21 THR A 52 -1.869 -1.652 -28.035 1.00 4.52 H new ATOM 0 HG22 THR A 52 -1.360 -1.654 -26.330 1.00 4.52 H new ATOM 0 HG23 THR A 52 -0.565 -2.737 -27.497 1.00 4.52 H new ATOM 843 N GLU A 53 -2.622 -4.394 -23.315 1.00 61.13 N ATOM 844 CA GLU A 53 -2.891 -3.909 -21.950 1.00 52.22 C ATOM 845 C GLU A 53 -1.714 -4.264 -21.017 1.00 33.54 C ATOM 846 O GLU A 53 -1.700 -5.337 -20.410 1.00 20.34 O ATOM 847 CB GLU A 53 -4.212 -4.552 -21.449 1.00 21.41 C ATOM 848 CG GLU A 53 -5.439 -4.244 -22.332 1.00 10.54 C ATOM 849 CD GLU A 53 -6.615 -5.199 -22.076 1.00 15.10 C ATOM 850 OE1 GLU A 53 -7.409 -4.950 -21.146 1.00 62.23 O ATOM 851 OE2 GLU A 53 -6.750 -6.198 -22.815 1.00 34.44 O ATOM 0 H GLU A 53 -2.741 -5.402 -23.413 1.00 61.13 H new ATOM 0 HA GLU A 53 -2.996 -2.824 -21.951 1.00 52.22 H new ATOM 0 HB2 GLU A 53 -4.079 -5.633 -21.395 1.00 21.41 H new ATOM 0 HB3 GLU A 53 -4.411 -4.204 -20.435 1.00 21.41 H new ATOM 0 HG2 GLU A 53 -5.763 -3.219 -22.150 1.00 10.54 H new ATOM 0 HG3 GLU A 53 -5.150 -4.305 -23.381 1.00 10.54 H new ATOM 858 N GLN A 54 -0.705 -3.373 -20.953 1.00 50.42 N ATOM 859 CA GLN A 54 0.479 -3.554 -20.084 1.00 35.43 C ATOM 860 C GLN A 54 1.035 -2.182 -19.618 1.00 23.20 C ATOM 861 O GLN A 54 1.318 -1.300 -20.436 1.00 5.13 O ATOM 862 CB GLN A 54 1.574 -4.401 -20.807 1.00 31.22 C ATOM 863 CG GLN A 54 2.119 -3.797 -22.124 1.00 60.12 C ATOM 864 CD GLN A 54 3.293 -4.570 -22.729 1.00 20.34 C ATOM 865 OE1 GLN A 54 3.410 -5.782 -22.575 1.00 61.53 O ATOM 866 NE2 GLN A 54 4.169 -3.876 -23.436 1.00 11.11 N ATOM 0 H GLN A 54 -0.686 -2.511 -21.498 1.00 50.42 H new ATOM 0 HA GLN A 54 0.172 -4.104 -19.195 1.00 35.43 H new ATOM 0 HB2 GLN A 54 2.409 -4.546 -20.121 1.00 31.22 H new ATOM 0 HB3 GLN A 54 1.163 -5.387 -21.022 1.00 31.22 H new ATOM 0 HG2 GLN A 54 1.311 -3.756 -22.854 1.00 60.12 H new ATOM 0 HG3 GLN A 54 2.432 -2.770 -21.937 1.00 60.12 H new ATOM 0 HE21 GLN A 54 4.050 -2.869 -23.549 1.00 11.11 H new ATOM 0 HE22 GLN A 54 4.964 -4.347 -23.868 1.00 11.11 H new ATOM 875 N ARG A 55 1.136 -1.991 -18.280 1.00 13.13 N ATOM 876 CA ARG A 55 1.615 -0.724 -17.648 1.00 72.15 C ATOM 877 C ARG A 55 2.904 -0.991 -16.829 1.00 11.40 C ATOM 878 O ARG A 55 2.902 -1.831 -15.930 1.00 21.40 O ATOM 879 CB ARG A 55 0.488 -0.105 -16.739 1.00 12.21 C ATOM 880 CG ARG A 55 -0.499 0.879 -17.443 1.00 70.31 C ATOM 881 CD ARG A 55 -1.173 0.301 -18.707 1.00 74.24 C ATOM 882 NE ARG A 55 -2.197 1.191 -19.287 1.00 32.42 N ATOM 883 CZ ARG A 55 -1.996 2.073 -20.246 1.00 51.33 C ATOM 884 NH1 ARG A 55 -0.812 2.356 -20.679 1.00 1.04 N ATOM 885 NH2 ARG A 55 -3.003 2.690 -20.751 1.00 32.41 N ATOM 0 H ARG A 55 0.888 -2.711 -17.601 1.00 13.13 H new ATOM 0 HA ARG A 55 1.850 -0.004 -18.432 1.00 72.15 H new ATOM 0 HB2 ARG A 55 -0.091 -0.921 -16.307 1.00 12.21 H new ATOM 0 HB3 ARG A 55 0.965 0.421 -15.912 1.00 12.21 H new ATOM 0 HG2 ARG A 55 -1.273 1.170 -16.733 1.00 70.31 H new ATOM 0 HG3 ARG A 55 0.041 1.786 -17.715 1.00 70.31 H new ATOM 0 HD2 ARG A 55 -0.408 0.102 -19.458 1.00 74.24 H new ATOM 0 HD3 ARG A 55 -1.633 -0.656 -18.459 1.00 74.24 H new ATOM 0 HE ARG A 55 -3.143 1.117 -18.913 1.00 32.42 H new ATOM 0 HH11 ARG A 55 0.002 1.892 -20.277 1.00 1.04 H new ATOM 0 HH12 ARG A 55 -0.692 3.044 -21.423 1.00 1.04 H new ATOM 0 HH21 ARG A 55 -3.944 2.495 -20.409 1.00 32.41 H new ATOM 0 HH22 ARG A 55 -2.862 3.375 -21.494 1.00 32.41 H new ATOM 899 N GLN A 56 3.992 -0.274 -17.148 1.00 33.25 N ATOM 900 CA GLN A 56 5.294 -0.412 -16.449 1.00 4.23 C ATOM 901 C GLN A 56 5.301 0.366 -15.112 1.00 61.52 C ATOM 902 O GLN A 56 4.787 1.487 -15.045 1.00 5.54 O ATOM 903 CB GLN A 56 6.437 0.119 -17.365 1.00 70.12 C ATOM 904 CG GLN A 56 6.612 -0.645 -18.705 1.00 14.23 C ATOM 905 CD GLN A 56 7.397 -1.961 -18.584 1.00 32.24 C ATOM 906 OE1 GLN A 56 7.412 -2.599 -17.540 1.00 72.42 O ATOM 907 NE2 GLN A 56 8.035 -2.390 -19.656 1.00 31.31 N ATOM 0 H GLN A 56 4.002 0.419 -17.896 1.00 33.25 H new ATOM 0 HA GLN A 56 5.451 -1.468 -16.230 1.00 4.23 H new ATOM 0 HB2 GLN A 56 6.247 1.170 -17.585 1.00 70.12 H new ATOM 0 HB3 GLN A 56 7.376 0.073 -16.813 1.00 70.12 H new ATOM 0 HG2 GLN A 56 5.627 -0.860 -19.119 1.00 14.23 H new ATOM 0 HG3 GLN A 56 7.122 0.005 -19.416 1.00 14.23 H new ATOM 0 HE21 GLN A 56 8.010 -1.844 -20.517 1.00 31.31 H new ATOM 0 HE22 GLN A 56 8.553 -3.268 -19.624 1.00 31.31 H new ATOM 916 N ALA A 57 5.882 -0.240 -14.055 1.00 75.01 N ATOM 917 CA ALA A 57 6.127 0.437 -12.760 1.00 31.20 C ATOM 918 C ALA A 57 7.405 -0.114 -12.089 1.00 31.52 C ATOM 919 O ALA A 57 7.471 -1.295 -11.745 1.00 33.52 O ATOM 920 CB ALA A 57 4.917 0.272 -11.825 1.00 42.21 C ATOM 0 H ALA A 57 6.195 -1.211 -14.073 1.00 75.01 H new ATOM 0 HA ALA A 57 6.271 1.500 -12.954 1.00 31.20 H new ATOM 0 HB1 ALA A 57 5.117 0.776 -10.879 1.00 42.21 H new ATOM 0 HB2 ALA A 57 4.035 0.711 -12.291 1.00 42.21 H new ATOM 0 HB3 ALA A 57 4.741 -0.788 -11.641 1.00 42.21 H new ATOM 926 N GLY A 58 8.405 0.760 -11.896 1.00 63.31 N ATOM 927 CA GLY A 58 9.680 0.386 -11.266 1.00 74.23 C ATOM 928 C GLY A 58 9.732 0.743 -9.783 1.00 43.53 C ATOM 929 O GLY A 58 9.047 1.672 -9.344 1.00 42.35 O ATOM 0 H GLY A 58 8.353 1.741 -12.171 1.00 63.31 H new ATOM 0 HA2 GLY A 58 9.837 -0.686 -11.383 1.00 74.23 H new ATOM 0 HA3 GLY A 58 10.497 0.887 -11.785 1.00 74.23 H new ATOM 933 N ILE A 59 10.553 0.008 -9.006 1.00 31.22 N ATOM 934 CA ILE A 59 10.739 0.272 -7.557 1.00 74.24 C ATOM 935 C ILE A 59 11.639 1.523 -7.372 1.00 31.33 C ATOM 936 O ILE A 59 12.688 1.635 -8.022 1.00 70.13 O ATOM 937 CB ILE A 59 11.371 -0.961 -6.765 1.00 22.45 C ATOM 938 CG1 ILE A 59 10.477 -2.257 -6.856 1.00 45.22 C ATOM 939 CG2 ILE A 59 11.629 -0.593 -5.269 1.00 34.05 C ATOM 940 CD1 ILE A 59 10.495 -2.999 -8.188 1.00 53.20 C ATOM 0 H ILE A 59 11.102 -0.777 -9.356 1.00 31.22 H new ATOM 0 HA ILE A 59 9.748 0.440 -7.137 1.00 74.24 H new ATOM 0 HB ILE A 59 12.323 -1.183 -7.247 1.00 22.45 H new ATOM 0 HG12 ILE A 59 10.796 -2.948 -6.075 1.00 45.22 H new ATOM 0 HG13 ILE A 59 9.447 -1.978 -6.634 1.00 45.22 H new ATOM 0 HG21 ILE A 59 12.060 -1.451 -4.752 1.00 34.05 H new ATOM 0 HG22 ILE A 59 12.320 0.248 -5.215 1.00 34.05 H new ATOM 0 HG23 ILE A 59 10.687 -0.319 -4.794 1.00 34.05 H new ATOM 0 HD11 ILE A 59 9.843 -3.871 -8.128 1.00 53.20 H new ATOM 0 HD12 ILE A 59 10.142 -2.336 -8.978 1.00 53.20 H new ATOM 0 HD13 ILE A 59 11.512 -3.321 -8.411 1.00 53.20 H new ATOM 952 N VAL A 60 11.218 2.461 -6.501 1.00 34.20 N ATOM 953 CA VAL A 60 12.011 3.672 -6.172 1.00 54.43 C ATOM 954 C VAL A 60 13.014 3.353 -5.034 1.00 64.54 C ATOM 955 O VAL A 60 14.221 3.574 -5.172 1.00 33.22 O ATOM 956 CB VAL A 60 11.089 4.876 -5.738 1.00 2.43 C ATOM 957 CG1 VAL A 60 11.911 6.167 -5.457 1.00 13.13 C ATOM 958 CG2 VAL A 60 9.982 5.135 -6.786 1.00 54.44 C ATOM 0 H VAL A 60 10.327 2.406 -6.007 1.00 34.20 H new ATOM 0 HA VAL A 60 12.550 3.967 -7.072 1.00 54.43 H new ATOM 0 HB VAL A 60 10.608 4.593 -4.802 1.00 2.43 H new ATOM 0 HG11 VAL A 60 11.237 6.971 -5.161 1.00 13.13 H new ATOM 0 HG12 VAL A 60 12.623 5.977 -4.654 1.00 13.13 H new ATOM 0 HG13 VAL A 60 12.450 6.459 -6.359 1.00 13.13 H new ATOM 0 HG21 VAL A 60 9.362 5.970 -6.461 1.00 54.44 H new ATOM 0 HG22 VAL A 60 10.439 5.375 -7.746 1.00 54.44 H new ATOM 0 HG23 VAL A 60 9.364 4.243 -6.891 1.00 54.44 H new ATOM 968 N ALA A 61 12.475 2.823 -3.918 1.00 35.32 N ATOM 969 CA ALA A 61 13.263 2.419 -2.735 1.00 55.34 C ATOM 970 C ALA A 61 12.485 1.385 -1.893 1.00 31.33 C ATOM 971 O ALA A 61 11.252 1.422 -1.839 1.00 34.32 O ATOM 972 CB ALA A 61 13.647 3.641 -1.881 1.00 32.15 C ATOM 0 H ALA A 61 11.474 2.662 -3.811 1.00 35.32 H new ATOM 0 HA ALA A 61 14.185 1.954 -3.085 1.00 55.34 H new ATOM 0 HB1 ALA A 61 14.226 3.314 -1.017 1.00 32.15 H new ATOM 0 HB2 ALA A 61 14.244 4.329 -2.479 1.00 32.15 H new ATOM 0 HB3 ALA A 61 12.743 4.146 -1.541 1.00 32.15 H new ATOM 978 N ILE A 62 13.221 0.473 -1.238 1.00 65.31 N ATOM 979 CA ILE A 62 12.637 -0.627 -0.433 1.00 12.25 C ATOM 980 C ILE A 62 13.634 -1.112 0.659 1.00 63.53 C ATOM 981 O ILE A 62 14.855 -1.015 0.485 1.00 4.25 O ATOM 982 CB ILE A 62 12.201 -1.834 -1.360 1.00 64.21 C ATOM 983 CG1 ILE A 62 11.545 -2.991 -0.528 1.00 4.13 C ATOM 984 CG2 ILE A 62 13.395 -2.342 -2.210 1.00 11.32 C ATOM 985 CD1 ILE A 62 11.037 -4.166 -1.339 1.00 51.33 C ATOM 0 H ILE A 62 14.241 0.472 -1.248 1.00 65.31 H new ATOM 0 HA ILE A 62 11.749 -0.238 0.066 1.00 12.25 H new ATOM 0 HB ILE A 62 11.440 -1.467 -2.049 1.00 64.21 H new ATOM 0 HG12 ILE A 62 12.276 -3.357 0.193 1.00 4.13 H new ATOM 0 HG13 ILE A 62 10.713 -2.579 0.043 1.00 4.13 H new ATOM 0 HG21 ILE A 62 13.068 -3.171 -2.838 1.00 11.32 H new ATOM 0 HG22 ILE A 62 13.763 -1.533 -2.841 1.00 11.32 H new ATOM 0 HG23 ILE A 62 14.194 -2.680 -1.550 1.00 11.32 H new ATOM 0 HD11 ILE A 62 10.603 -4.909 -0.670 1.00 51.33 H new ATOM 0 HD12 ILE A 62 10.278 -3.822 -2.041 1.00 51.33 H new ATOM 0 HD13 ILE A 62 11.865 -4.613 -1.890 1.00 51.33 H new ATOM 997 N ARG A 63 13.093 -1.603 1.792 1.00 54.01 N ATOM 998 CA ARG A 63 13.884 -2.198 2.894 1.00 11.45 C ATOM 999 C ARG A 63 13.001 -3.155 3.731 1.00 54.12 C ATOM 1000 O ARG A 63 12.174 -2.691 4.514 1.00 30.21 O ATOM 1001 CB ARG A 63 14.481 -1.079 3.791 1.00 25.31 C ATOM 1002 CG ARG A 63 15.274 -1.567 5.025 1.00 70.34 C ATOM 1003 CD ARG A 63 15.840 -0.407 5.863 1.00 42.21 C ATOM 1004 NE ARG A 63 16.497 -0.886 7.096 1.00 24.21 N ATOM 1005 CZ ARG A 63 16.112 -0.616 8.327 1.00 54.43 C ATOM 1006 NH1 ARG A 63 15.062 0.115 8.560 1.00 71.40 N ATOM 1007 NH2 ARG A 63 16.789 -1.082 9.321 1.00 44.50 N ATOM 0 H ARG A 63 12.089 -1.599 1.972 1.00 54.01 H new ATOM 0 HA ARG A 63 14.706 -2.773 2.467 1.00 11.45 H new ATOM 0 HB2 ARG A 63 15.138 -0.460 3.180 1.00 25.31 H new ATOM 0 HB3 ARG A 63 13.668 -0.439 4.133 1.00 25.31 H new ATOM 0 HG2 ARG A 63 14.624 -2.179 5.651 1.00 70.34 H new ATOM 0 HG3 ARG A 63 16.093 -2.206 4.696 1.00 70.34 H new ATOM 0 HD2 ARG A 63 16.557 0.156 5.265 1.00 42.21 H new ATOM 0 HD3 ARG A 63 15.034 0.279 6.124 1.00 42.21 H new ATOM 0 HE ARG A 63 17.321 -1.477 6.985 1.00 24.21 H new ATOM 0 HH11 ARG A 63 14.520 0.491 7.782 1.00 71.40 H new ATOM 0 HH12 ARG A 63 14.781 0.312 9.520 1.00 71.40 H new ATOM 0 HH21 ARG A 63 17.616 -1.655 9.151 1.00 44.50 H new ATOM 0 HH22 ARG A 63 16.498 -0.878 10.277 1.00 44.50 H new ATOM 1021 N ALA A 64 13.197 -4.481 3.534 1.00 1.35 N ATOM 1022 CA ALA A 64 12.493 -5.579 4.261 1.00 1.05 C ATOM 1023 C ALA A 64 10.940 -5.417 4.293 1.00 61.20 C ATOM 1024 O ALA A 64 10.226 -5.972 3.452 1.00 64.21 O ATOM 1025 CB ALA A 64 13.081 -5.749 5.681 1.00 22.31 C ATOM 0 H ALA A 64 13.866 -4.832 2.848 1.00 1.35 H new ATOM 0 HA ALA A 64 12.672 -6.493 3.695 1.00 1.05 H new ATOM 0 HB1 ALA A 64 12.557 -6.553 6.198 1.00 22.31 H new ATOM 0 HB2 ALA A 64 14.141 -5.994 5.609 1.00 22.31 H new ATOM 0 HB3 ALA A 64 12.960 -4.820 6.238 1.00 22.31 H new ATOM 1031 N TYR A 65 10.447 -4.634 5.267 1.00 0.42 N ATOM 1032 CA TYR A 65 9.013 -4.292 5.425 1.00 14.24 C ATOM 1033 C TYR A 65 8.864 -2.910 6.132 1.00 53.45 C ATOM 1034 O TYR A 65 7.757 -2.467 6.455 1.00 22.44 O ATOM 1035 CB TYR A 65 8.275 -5.422 6.204 1.00 13.34 C ATOM 1036 CG TYR A 65 8.632 -5.577 7.703 1.00 34.23 C ATOM 1037 CD1 TYR A 65 9.945 -5.461 8.187 1.00 22.33 C ATOM 1038 CD2 TYR A 65 7.633 -5.837 8.638 1.00 41.45 C ATOM 1039 CE1 TYR A 65 10.229 -5.600 9.534 1.00 52.41 C ATOM 1040 CE2 TYR A 65 7.908 -5.974 9.975 1.00 22.53 C ATOM 1041 CZ TYR A 65 9.205 -5.857 10.428 1.00 60.23 C ATOM 1042 OH TYR A 65 9.480 -6.001 11.774 1.00 51.24 O ATOM 0 H TYR A 65 11.039 -4.211 5.982 1.00 0.42 H new ATOM 0 HA TYR A 65 8.551 -4.211 4.441 1.00 14.24 H new ATOM 0 HB2 TYR A 65 7.202 -5.245 6.126 1.00 13.34 H new ATOM 0 HB3 TYR A 65 8.479 -6.369 5.705 1.00 13.34 H new ATOM 0 HD1 TYR A 65 10.749 -5.259 7.494 1.00 22.33 H new ATOM 0 HD2 TYR A 65 6.612 -5.934 8.300 1.00 41.45 H new ATOM 0 HE1 TYR A 65 11.246 -5.508 9.886 1.00 52.41 H new ATOM 0 HE2 TYR A 65 7.108 -6.174 10.673 1.00 22.53 H new ATOM 0 HH TYR A 65 8.648 -6.177 12.261 1.00 51.24 H new ATOM 1052 N SER A 66 10.024 -2.244 6.342 1.00 5.21 N ATOM 1053 CA SER A 66 10.138 -0.916 6.981 1.00 22.03 C ATOM 1054 C SER A 66 9.716 0.219 6.021 1.00 2.54 C ATOM 1055 O SER A 66 9.429 1.329 6.476 1.00 41.11 O ATOM 1056 CB SER A 66 11.601 -0.690 7.443 1.00 2.10 C ATOM 1057 OG SER A 66 12.058 -1.762 8.254 1.00 4.31 O ATOM 0 H SER A 66 10.928 -2.627 6.064 1.00 5.21 H new ATOM 0 HA SER A 66 9.465 -0.895 7.838 1.00 22.03 H new ATOM 0 HB2 SER A 66 12.248 -0.589 6.572 1.00 2.10 H new ATOM 0 HB3 SER A 66 11.668 0.244 8.000 1.00 2.10 H new ATOM 0 HG SER A 66 12.983 -1.593 8.529 1.00 4.31 H new ATOM 1063 N PHE A 67 9.712 -0.080 4.695 1.00 12.24 N ATOM 1064 CA PHE A 67 9.214 0.828 3.624 1.00 34.41 C ATOM 1065 C PHE A 67 9.364 0.188 2.223 1.00 62.42 C ATOM 1066 O PHE A 67 10.267 -0.625 1.990 1.00 3.14 O ATOM 1067 CB PHE A 67 9.884 2.245 3.640 1.00 13.44 C ATOM 1068 CG PHE A 67 11.415 2.275 3.515 1.00 14.03 C ATOM 1069 CD1 PHE A 67 12.044 2.229 2.267 1.00 63.41 C ATOM 1070 CD2 PHE A 67 12.225 2.383 4.648 1.00 24.23 C ATOM 1071 CE1 PHE A 67 13.419 2.289 2.158 1.00 3.12 C ATOM 1072 CE2 PHE A 67 13.603 2.439 4.538 1.00 5.34 C ATOM 1073 CZ PHE A 67 14.199 2.394 3.291 1.00 24.24 C ATOM 0 H PHE A 67 10.058 -0.969 4.334 1.00 12.24 H new ATOM 0 HA PHE A 67 8.156 0.975 3.841 1.00 34.41 H new ATOM 0 HB2 PHE A 67 9.462 2.832 2.824 1.00 13.44 H new ATOM 0 HB3 PHE A 67 9.607 2.744 4.568 1.00 13.44 H new ATOM 0 HD1 PHE A 67 11.444 2.145 1.373 1.00 63.41 H new ATOM 0 HD2 PHE A 67 11.768 2.423 5.626 1.00 24.23 H new ATOM 0 HE1 PHE A 67 13.885 2.254 1.184 1.00 3.12 H new ATOM 0 HE2 PHE A 67 14.213 2.518 5.426 1.00 5.34 H new ATOM 0 HZ PHE A 67 15.274 2.441 3.204 1.00 24.24 H new ATOM 1083 N ILE A 68 8.453 0.559 1.310 1.00 3.22 N ATOM 1084 CA ILE A 68 8.536 0.215 -0.119 1.00 32.44 C ATOM 1085 C ILE A 68 7.827 1.296 -0.969 1.00 52.23 C ATOM 1086 O ILE A 68 6.796 1.845 -0.569 1.00 60.32 O ATOM 1087 CB ILE A 68 7.941 -1.214 -0.422 1.00 24.23 C ATOM 1088 CG1 ILE A 68 8.163 -1.617 -1.922 1.00 52.52 C ATOM 1089 CG2 ILE A 68 6.447 -1.290 -0.027 1.00 32.11 C ATOM 1090 CD1 ILE A 68 7.649 -2.994 -2.294 1.00 50.33 C ATOM 0 H ILE A 68 7.629 1.112 1.545 1.00 3.22 H new ATOM 0 HA ILE A 68 9.591 0.184 -0.390 1.00 32.44 H new ATOM 0 HB ILE A 68 8.479 -1.937 0.191 1.00 24.23 H new ATOM 0 HG12 ILE A 68 7.675 -0.879 -2.558 1.00 52.52 H new ATOM 0 HG13 ILE A 68 9.230 -1.571 -2.142 1.00 52.52 H new ATOM 0 HG21 ILE A 68 6.063 -2.286 -0.247 1.00 32.11 H new ATOM 0 HG22 ILE A 68 6.342 -1.087 1.039 1.00 32.11 H new ATOM 0 HG23 ILE A 68 5.883 -0.550 -0.594 1.00 32.11 H new ATOM 0 HD11 ILE A 68 7.847 -3.183 -3.349 1.00 50.33 H new ATOM 0 HD12 ILE A 68 8.154 -3.747 -1.689 1.00 50.33 H new ATOM 0 HD13 ILE A 68 6.575 -3.043 -2.112 1.00 50.33 H new ATOM 1102 N ARG A 69 8.415 1.623 -2.136 1.00 13.45 N ATOM 1103 CA ARG A 69 7.883 2.651 -3.058 1.00 35.22 C ATOM 1104 C ARG A 69 7.863 2.136 -4.516 1.00 73.21 C ATOM 1105 O ARG A 69 8.770 1.411 -4.937 1.00 14.34 O ATOM 1106 CB ARG A 69 8.732 3.957 -3.003 1.00 1.23 C ATOM 1107 CG ARG A 69 8.759 4.712 -1.645 1.00 60.24 C ATOM 1108 CD ARG A 69 9.894 4.276 -0.694 1.00 23.53 C ATOM 1109 NE ARG A 69 9.965 5.137 0.503 1.00 62.32 N ATOM 1110 CZ ARG A 69 11.061 5.464 1.162 1.00 14.02 C ATOM 1111 NH1 ARG A 69 12.227 5.044 0.791 1.00 53.15 N ATOM 1112 NH2 ARG A 69 10.973 6.247 2.179 1.00 0.04 N ATOM 0 H ARG A 69 9.273 1.183 -2.468 1.00 13.45 H new ATOM 0 HA ARG A 69 6.865 2.868 -2.733 1.00 35.22 H new ATOM 0 HB2 ARG A 69 9.758 3.708 -3.275 1.00 1.23 H new ATOM 0 HB3 ARG A 69 8.357 4.640 -3.765 1.00 1.23 H new ATOM 0 HG2 ARG A 69 8.855 5.780 -1.839 1.00 60.24 H new ATOM 0 HG3 ARG A 69 7.803 4.564 -1.142 1.00 60.24 H new ATOM 0 HD2 ARG A 69 9.736 3.241 -0.389 1.00 23.53 H new ATOM 0 HD3 ARG A 69 10.846 4.310 -1.224 1.00 23.53 H new ATOM 0 HE ARG A 69 9.085 5.515 0.854 1.00 62.32 H new ATOM 0 HH11 ARG A 69 12.316 4.445 -0.029 1.00 53.15 H new ATOM 0 HH12 ARG A 69 13.057 5.312 1.319 1.00 53.15 H new ATOM 0 HH21 ARG A 69 10.064 6.608 2.468 1.00 0.04 H new ATOM 0 HH22 ARG A 69 11.813 6.507 2.697 1.00 0.04 H new ATOM 1126 N PHE A 70 6.828 2.536 -5.276 1.00 33.35 N ATOM 1127 CA PHE A 70 6.730 2.288 -6.737 1.00 22.51 C ATOM 1128 C PHE A 70 6.539 3.608 -7.515 1.00 51.04 C ATOM 1129 O PHE A 70 6.064 4.614 -6.974 1.00 71.03 O ATOM 1130 CB PHE A 70 5.575 1.291 -7.070 1.00 34.15 C ATOM 1131 CG PHE A 70 5.949 -0.177 -6.875 1.00 2.11 C ATOM 1132 CD1 PHE A 70 5.821 -0.797 -5.634 1.00 21.44 C ATOM 1133 CD2 PHE A 70 6.444 -0.934 -7.943 1.00 73.30 C ATOM 1134 CE1 PHE A 70 6.172 -2.120 -5.466 1.00 3.23 C ATOM 1135 CE2 PHE A 70 6.794 -2.256 -7.771 1.00 40.03 C ATOM 1136 CZ PHE A 70 6.661 -2.849 -6.533 1.00 62.33 C ATOM 0 H PHE A 70 6.028 3.044 -4.898 1.00 33.35 H new ATOM 0 HA PHE A 70 7.670 1.836 -7.052 1.00 22.51 H new ATOM 0 HB2 PHE A 70 4.715 1.523 -6.442 1.00 34.15 H new ATOM 0 HB3 PHE A 70 5.264 1.442 -8.104 1.00 34.15 H new ATOM 0 HD1 PHE A 70 5.442 -0.235 -4.793 1.00 21.44 H new ATOM 0 HD2 PHE A 70 6.553 -0.476 -8.915 1.00 73.30 H new ATOM 0 HE1 PHE A 70 6.064 -2.587 -4.498 1.00 3.23 H new ATOM 0 HE2 PHE A 70 7.172 -2.827 -8.606 1.00 40.03 H new ATOM 0 HZ PHE A 70 6.939 -3.884 -6.397 1.00 62.33 H new ATOM 1146 N HIS A 71 6.926 3.567 -8.795 1.00 31.11 N ATOM 1147 CA HIS A 71 6.792 4.686 -9.743 1.00 44.13 C ATOM 1148 C HIS A 71 6.406 4.138 -11.122 1.00 30.54 C ATOM 1149 O HIS A 71 7.150 3.349 -11.709 1.00 23.53 O ATOM 1150 CB HIS A 71 8.115 5.492 -9.819 1.00 60.42 C ATOM 1151 CG HIS A 71 8.157 6.559 -10.885 1.00 35.31 C ATOM 1152 ND1 HIS A 71 7.193 7.524 -11.020 1.00 10.21 N ATOM 1153 CD2 HIS A 71 9.044 6.789 -11.881 1.00 72.33 C ATOM 1154 CE1 HIS A 71 7.471 8.295 -12.048 1.00 51.51 C ATOM 1155 NE2 HIS A 71 8.591 7.873 -12.589 1.00 44.43 N ATOM 0 H HIS A 71 7.350 2.739 -9.212 1.00 31.11 H new ATOM 0 HA HIS A 71 6.009 5.362 -9.398 1.00 44.13 H new ATOM 0 HB2 HIS A 71 8.292 5.961 -8.851 1.00 60.42 H new ATOM 0 HB3 HIS A 71 8.936 4.796 -9.991 1.00 60.42 H new ATOM 0 HD2 HIS A 71 9.942 6.224 -12.081 1.00 72.33 H new ATOM 0 HE1 HIS A 71 6.880 9.132 -12.389 1.00 51.51 H new ATOM 0 HE2 HIS A 71 9.049 8.284 -13.402 1.00 44.43 H new ATOM 1164 N TRP A 72 5.250 4.570 -11.638 1.00 72.01 N ATOM 1165 CA TRP A 72 4.735 4.107 -12.937 1.00 32.54 C ATOM 1166 C TRP A 72 5.541 4.715 -14.102 1.00 41.31 C ATOM 1167 O TRP A 72 5.446 5.909 -14.391 1.00 64.55 O ATOM 1168 CB TRP A 72 3.216 4.407 -13.054 1.00 4.03 C ATOM 1169 CG TRP A 72 2.373 3.526 -12.150 1.00 32.43 C ATOM 1170 CD1 TRP A 72 1.702 2.383 -12.504 1.00 74.34 C ATOM 1171 CD2 TRP A 72 2.139 3.702 -10.739 1.00 62.54 C ATOM 1172 NE1 TRP A 72 1.066 1.853 -11.413 1.00 71.32 N ATOM 1173 CE2 TRP A 72 1.320 2.640 -10.319 1.00 44.32 C ATOM 1174 CE3 TRP A 72 2.544 4.657 -9.793 1.00 41.24 C ATOM 1175 CZ2 TRP A 72 0.891 2.505 -9.000 1.00 1.24 C ATOM 1176 CZ3 TRP A 72 2.123 4.521 -8.483 1.00 42.14 C ATOM 1177 CH2 TRP A 72 1.305 3.449 -8.095 1.00 10.23 C ATOM 0 H TRP A 72 4.646 5.247 -11.172 1.00 72.01 H new ATOM 0 HA TRP A 72 4.862 3.026 -12.999 1.00 32.54 H new ATOM 0 HB2 TRP A 72 3.036 5.453 -12.805 1.00 4.03 H new ATOM 0 HB3 TRP A 72 2.901 4.267 -14.088 1.00 4.03 H new ATOM 0 HD1 TRP A 72 1.679 1.962 -13.498 1.00 74.34 H new ATOM 0 HE1 TRP A 72 0.495 1.008 -11.414 1.00 71.32 H new ATOM 0 HE3 TRP A 72 3.174 5.484 -10.084 1.00 41.24 H new ATOM 0 HZ2 TRP A 72 0.255 1.685 -8.701 1.00 1.24 H new ATOM 0 HZ3 TRP A 72 2.428 5.251 -7.748 1.00 42.14 H new ATOM 0 HH2 TRP A 72 0.995 3.366 -7.064 1.00 10.23 H new ATOM 1188 N LEU A 73 6.339 3.853 -14.764 1.00 44.04 N ATOM 1189 CA LEU A 73 7.222 4.244 -15.889 1.00 41.32 C ATOM 1190 C LEU A 73 6.424 4.430 -17.211 1.00 24.33 C ATOM 1191 O LEU A 73 7.004 4.769 -18.254 1.00 72.14 O ATOM 1192 CB LEU A 73 8.340 3.181 -16.082 1.00 12.52 C ATOM 1193 CG LEU A 73 9.124 2.746 -14.804 1.00 42.24 C ATOM 1194 CD1 LEU A 73 10.308 1.830 -15.164 1.00 2.24 C ATOM 1195 CD2 LEU A 73 9.600 3.957 -13.970 1.00 13.53 C ATOM 0 H LEU A 73 6.392 2.861 -14.534 1.00 44.04 H new ATOM 0 HA LEU A 73 7.674 5.204 -15.639 1.00 41.32 H new ATOM 0 HB2 LEU A 73 7.891 2.292 -16.524 1.00 12.52 H new ATOM 0 HB3 LEU A 73 9.057 3.569 -16.805 1.00 12.52 H new ATOM 0 HG LEU A 73 8.429 2.181 -14.184 1.00 42.24 H new ATOM 0 HD11 LEU A 73 10.836 1.543 -14.254 1.00 2.24 H new ATOM 0 HD12 LEU A 73 9.937 0.936 -15.666 1.00 2.24 H new ATOM 0 HD13 LEU A 73 10.991 2.361 -15.827 1.00 2.24 H new ATOM 0 HD21 LEU A 73 10.140 3.604 -13.092 1.00 13.53 H new ATOM 0 HD22 LEU A 73 10.259 4.579 -14.575 1.00 13.53 H new ATOM 0 HD23 LEU A 73 8.737 4.543 -13.654 1.00 13.53 H new ATOM 1311 N TYR A 81 3.602 9.736 -5.622 1.00 60.21 N ATOM 1312 CA TYR A 81 4.186 9.510 -4.286 1.00 14.43 C ATOM 1313 C TYR A 81 3.314 8.504 -3.504 1.00 42.23 C ATOM 1314 O TYR A 81 2.254 8.859 -2.970 1.00 25.54 O ATOM 1315 CB TYR A 81 4.303 10.876 -3.539 1.00 43.44 C ATOM 1316 CG TYR A 81 5.030 10.872 -2.173 1.00 40.34 C ATOM 1317 CD1 TYR A 81 5.840 9.804 -1.748 1.00 71.21 C ATOM 1318 CD2 TYR A 81 4.921 11.969 -1.309 1.00 60.22 C ATOM 1319 CE1 TYR A 81 6.490 9.839 -0.532 1.00 25.42 C ATOM 1320 CE2 TYR A 81 5.581 11.999 -0.092 1.00 72.11 C ATOM 1321 CZ TYR A 81 6.362 10.933 0.292 1.00 34.44 C ATOM 1322 OH TYR A 81 7.015 10.961 1.506 1.00 14.32 O ATOM 0 HA TYR A 81 5.186 9.085 -4.376 1.00 14.43 H new ATOM 0 HB2 TYR A 81 4.819 11.577 -4.195 1.00 43.44 H new ATOM 0 HB3 TYR A 81 3.296 11.265 -3.385 1.00 43.44 H new ATOM 0 HD1 TYR A 81 5.955 8.940 -2.386 1.00 71.21 H new ATOM 0 HD2 TYR A 81 4.309 12.810 -1.598 1.00 60.22 H new ATOM 0 HE1 TYR A 81 7.102 9.004 -0.225 1.00 25.42 H new ATOM 0 HE2 TYR A 81 5.483 12.858 0.555 1.00 72.11 H new ATOM 0 HH TYR A 81 6.819 11.805 1.963 1.00 14.32 H new ATOM 1332 N PHE A 82 3.773 7.243 -3.466 1.00 62.23 N ATOM 1333 CA PHE A 82 3.067 6.148 -2.780 1.00 31.14 C ATOM 1334 C PHE A 82 4.078 5.258 -2.010 1.00 24.10 C ATOM 1335 O PHE A 82 4.871 4.527 -2.616 1.00 1.41 O ATOM 1336 CB PHE A 82 2.259 5.332 -3.834 1.00 4.41 C ATOM 1337 CG PHE A 82 1.277 4.306 -3.265 1.00 75.32 C ATOM 1338 CD1 PHE A 82 0.296 4.693 -2.350 1.00 23.53 C ATOM 1339 CD2 PHE A 82 1.310 2.968 -3.664 1.00 32.11 C ATOM 1340 CE1 PHE A 82 -0.609 3.776 -1.855 1.00 5.44 C ATOM 1341 CE2 PHE A 82 0.401 2.054 -3.161 1.00 52.53 C ATOM 1342 CZ PHE A 82 -0.558 2.460 -2.256 1.00 52.43 C ATOM 0 H PHE A 82 4.644 6.953 -3.910 1.00 62.23 H new ATOM 0 HA PHE A 82 2.370 6.550 -2.045 1.00 31.14 H new ATOM 0 HB2 PHE A 82 1.704 6.031 -4.460 1.00 4.41 H new ATOM 0 HB3 PHE A 82 2.964 4.812 -4.483 1.00 4.41 H new ATOM 0 HD1 PHE A 82 0.245 5.722 -2.026 1.00 23.53 H new ATOM 0 HD2 PHE A 82 2.055 2.642 -4.375 1.00 32.11 H new ATOM 0 HE1 PHE A 82 -1.362 4.093 -1.149 1.00 5.44 H new ATOM 0 HE2 PHE A 82 0.442 1.022 -3.477 1.00 52.53 H new ATOM 0 HZ PHE A 82 -1.267 1.747 -1.863 1.00 52.43 H new ATOM 1352 N GLU A 83 4.048 5.349 -0.662 1.00 54.51 N ATOM 1353 CA GLU A 83 4.885 4.516 0.243 1.00 65.12 C ATOM 1354 C GLU A 83 3.994 3.547 1.035 1.00 64.22 C ATOM 1355 O GLU A 83 2.854 3.880 1.365 1.00 2.43 O ATOM 1356 CB GLU A 83 5.667 5.395 1.260 1.00 72.12 C ATOM 1357 CG GLU A 83 6.521 6.513 0.664 1.00 21.44 C ATOM 1358 CD GLU A 83 7.259 7.340 1.740 1.00 23.32 C ATOM 1359 OE1 GLU A 83 6.607 7.805 2.703 1.00 33.14 O ATOM 1360 OE2 GLU A 83 8.486 7.530 1.635 1.00 55.30 O ATOM 0 H GLU A 83 3.443 6.003 -0.165 1.00 54.51 H new ATOM 0 HA GLU A 83 5.594 3.968 -0.379 1.00 65.12 H new ATOM 0 HB2 GLU A 83 4.951 5.841 1.950 1.00 72.12 H new ATOM 0 HB3 GLU A 83 6.315 4.745 1.849 1.00 72.12 H new ATOM 0 HG2 GLU A 83 7.251 6.081 -0.020 1.00 21.44 H new ATOM 0 HG3 GLU A 83 5.886 7.175 0.076 1.00 21.44 H new ATOM 1367 N ILE A 84 4.499 2.337 1.317 1.00 40.31 N ATOM 1368 CA ILE A 84 3.822 1.378 2.220 1.00 24.55 C ATOM 1369 C ILE A 84 4.844 0.788 3.216 1.00 44.32 C ATOM 1370 O ILE A 84 5.952 0.424 2.816 1.00 63.03 O ATOM 1371 CB ILE A 84 3.121 0.170 1.460 1.00 24.13 C ATOM 1372 CG1 ILE A 84 2.277 0.631 0.214 1.00 75.13 C ATOM 1373 CG2 ILE A 84 2.244 -0.632 2.447 1.00 52.14 C ATOM 1374 CD1 ILE A 84 3.078 0.832 -1.068 1.00 22.04 C ATOM 0 H ILE A 84 5.379 1.992 0.933 1.00 40.31 H new ATOM 0 HA ILE A 84 3.043 1.946 2.729 1.00 24.55 H new ATOM 0 HB ILE A 84 3.914 -0.468 1.071 1.00 24.13 H new ATOM 0 HG12 ILE A 84 1.500 -0.110 0.027 1.00 75.13 H new ATOM 0 HG13 ILE A 84 1.774 1.566 0.461 1.00 75.13 H new ATOM 0 HG21 ILE A 84 1.766 -1.458 1.921 1.00 52.14 H new ATOM 0 HG22 ILE A 84 2.867 -1.025 3.250 1.00 52.14 H new ATOM 0 HG23 ILE A 84 1.479 0.021 2.867 1.00 52.14 H new ATOM 0 HD11 ILE A 84 2.410 1.149 -1.869 1.00 22.04 H new ATOM 0 HD12 ILE A 84 3.838 1.596 -0.906 1.00 22.04 H new ATOM 0 HD13 ILE A 84 3.560 -0.105 -1.347 1.00 22.04 H new ATOM 1386 N LYS A 85 4.490 0.721 4.511 1.00 55.24 N ATOM 1387 CA LYS A 85 5.267 -0.054 5.508 1.00 13.03 C ATOM 1388 C LYS A 85 4.330 -0.758 6.513 1.00 62.44 C ATOM 1389 O LYS A 85 3.127 -0.466 6.562 1.00 74.01 O ATOM 1390 CB LYS A 85 6.264 0.861 6.270 1.00 63.11 C ATOM 1391 CG LYS A 85 5.661 1.740 7.394 1.00 4.31 C ATOM 1392 CD LYS A 85 6.736 2.562 8.153 1.00 2.12 C ATOM 1393 CE LYS A 85 7.229 3.784 7.355 1.00 20.34 C ATOM 1394 NZ LYS A 85 6.145 4.785 7.156 1.00 14.51 N ATOM 0 H LYS A 85 3.672 1.192 4.897 1.00 55.24 H new ATOM 0 HA LYS A 85 5.832 -0.812 4.966 1.00 13.03 H new ATOM 0 HB2 LYS A 85 7.041 0.233 6.705 1.00 63.11 H new ATOM 0 HB3 LYS A 85 6.751 1.515 5.547 1.00 63.11 H new ATOM 0 HG2 LYS A 85 4.927 2.420 6.963 1.00 4.31 H new ATOM 0 HG3 LYS A 85 5.129 1.104 8.102 1.00 4.31 H new ATOM 0 HD2 LYS A 85 6.325 2.898 9.105 1.00 2.12 H new ATOM 0 HD3 LYS A 85 7.585 1.917 8.382 1.00 2.12 H new ATOM 0 HE2 LYS A 85 8.063 4.250 7.881 1.00 20.34 H new ATOM 0 HE3 LYS A 85 7.606 3.458 6.386 1.00 20.34 H new ATOM 0 HZ1 LYS A 85 6.561 5.734 7.066 1.00 14.51 H new ATOM 0 HZ2 LYS A 85 5.615 4.556 6.291 1.00 14.51 H new ATOM 0 HZ3 LYS A 85 5.501 4.766 7.972 1.00 14.51 H new ATOM 1408 N MET A 86 4.894 -1.676 7.320 1.00 33.32 N ATOM 1409 CA MET A 86 4.217 -2.244 8.497 1.00 72.04 C ATOM 1410 C MET A 86 5.212 -2.343 9.670 1.00 11.43 C ATOM 1411 O MET A 86 6.372 -2.734 9.493 1.00 44.01 O ATOM 1412 CB MET A 86 3.574 -3.626 8.213 1.00 31.53 C ATOM 1413 CG MET A 86 4.509 -4.670 7.585 1.00 71.32 C ATOM 1414 SD MET A 86 4.765 -4.422 5.819 1.00 42.24 S ATOM 1415 CE MET A 86 3.092 -4.660 5.237 1.00 73.03 C ATOM 0 H MET A 86 5.834 -2.044 7.172 1.00 33.32 H new ATOM 0 HA MET A 86 3.401 -1.571 8.759 1.00 72.04 H new ATOM 0 HB2 MET A 86 3.186 -4.027 9.149 1.00 31.53 H new ATOM 0 HB3 MET A 86 2.721 -3.482 7.550 1.00 31.53 H new ATOM 0 HG2 MET A 86 5.473 -4.638 8.093 1.00 71.32 H new ATOM 0 HG3 MET A 86 4.095 -5.665 7.749 1.00 71.32 H new ATOM 0 HE1 MET A 86 3.111 -5.164 4.271 1.00 73.03 H new ATOM 0 HE2 MET A 86 2.541 -5.269 5.953 1.00 73.03 H new ATOM 0 HE3 MET A 86 2.602 -3.692 5.132 1.00 73.03 H new ATOM 1425 N SER A 87 4.738 -1.978 10.863 1.00 41.53 N ATOM 1426 CA SER A 87 5.539 -2.011 12.114 1.00 62.45 C ATOM 1427 C SER A 87 4.927 -3.021 13.103 1.00 22.02 C ATOM 1428 O SER A 87 3.720 -2.993 13.353 1.00 13.33 O ATOM 1429 CB SER A 87 5.595 -0.598 12.751 1.00 35.34 C ATOM 1430 OG SER A 87 6.345 -0.588 13.961 1.00 71.20 O ATOM 0 H SER A 87 3.783 -1.647 11.002 1.00 41.53 H new ATOM 0 HA SER A 87 6.555 -2.324 11.876 1.00 62.45 H new ATOM 0 HB2 SER A 87 6.040 0.101 12.043 1.00 35.34 H new ATOM 0 HB3 SER A 87 4.582 -0.249 12.950 1.00 35.34 H new ATOM 0 HG SER A 87 6.358 0.320 14.330 1.00 71.20 H new ATOM 1436 N TYR A 88 5.762 -3.894 13.689 1.00 4.25 N ATOM 1437 CA TYR A 88 5.290 -4.964 14.593 1.00 4.05 C ATOM 1438 C TYR A 88 5.339 -4.481 16.062 1.00 22.42 C ATOM 1439 O TYR A 88 6.413 -4.198 16.597 1.00 65.25 O ATOM 1440 CB TYR A 88 6.140 -6.252 14.393 1.00 12.14 C ATOM 1441 CG TYR A 88 5.665 -7.482 15.198 1.00 70.03 C ATOM 1442 CD1 TYR A 88 4.301 -7.739 15.400 1.00 61.22 C ATOM 1443 CD2 TYR A 88 6.576 -8.398 15.735 1.00 3.31 C ATOM 1444 CE1 TYR A 88 3.873 -8.844 16.103 1.00 64.42 C ATOM 1445 CE2 TYR A 88 6.146 -9.508 16.441 1.00 22.52 C ATOM 1446 CZ TYR A 88 4.794 -9.728 16.621 1.00 33.34 C ATOM 1447 OH TYR A 88 4.360 -10.829 17.328 1.00 21.13 O ATOM 0 H TYR A 88 6.773 -3.882 13.554 1.00 4.25 H new ATOM 0 HA TYR A 88 4.255 -5.204 14.351 1.00 4.05 H new ATOM 0 HB2 TYR A 88 6.139 -6.508 13.334 1.00 12.14 H new ATOM 0 HB3 TYR A 88 7.172 -6.034 14.668 1.00 12.14 H new ATOM 0 HD1 TYR A 88 3.570 -7.055 14.995 1.00 61.22 H new ATOM 0 HD2 TYR A 88 7.635 -8.236 15.596 1.00 3.31 H new ATOM 0 HE1 TYR A 88 2.817 -9.017 16.248 1.00 64.42 H new ATOM 0 HE2 TYR A 88 6.866 -10.201 16.850 1.00 22.52 H new ATOM 0 HH TYR A 88 5.133 -11.353 17.625 1.00 21.13 H new ATOM 1457 N ASN A 89 4.158 -4.401 16.709 1.00 74.40 N ATOM 1458 CA ASN A 89 4.031 -3.925 18.111 1.00 13.13 C ATOM 1459 C ASN A 89 4.416 -5.015 19.155 1.00 45.25 C ATOM 1460 O ASN A 89 4.410 -4.745 20.360 1.00 51.54 O ATOM 1461 CB ASN A 89 2.592 -3.425 18.363 1.00 62.53 C ATOM 1462 CG ASN A 89 2.151 -2.337 17.385 1.00 34.44 C ATOM 1463 OD1 ASN A 89 2.426 -1.163 17.581 1.00 2.15 O ATOM 1464 ND2 ASN A 89 1.455 -2.716 16.332 1.00 11.03 N ATOM 0 H ASN A 89 3.269 -4.661 16.282 1.00 74.40 H new ATOM 0 HA ASN A 89 4.737 -3.105 18.241 1.00 13.13 H new ATOM 0 HB2 ASN A 89 1.904 -4.268 18.293 1.00 62.53 H new ATOM 0 HB3 ASN A 89 2.521 -3.040 19.380 1.00 62.53 H new ATOM 0 HD21 ASN A 89 1.132 -2.022 15.657 1.00 11.03 H new ATOM 0 HD22 ASN A 89 1.239 -3.703 16.192 1.00 11.03 H new ATOM 1471 N GLU A 90 4.722 -6.237 18.660 1.00 22.41 N ATOM 1472 CA GLU A 90 5.238 -7.389 19.456 1.00 42.11 C ATOM 1473 C GLU A 90 4.218 -7.964 20.478 1.00 61.34 C ATOM 1474 O GLU A 90 3.634 -9.025 20.239 1.00 43.14 O ATOM 1475 CB GLU A 90 6.595 -7.056 20.151 1.00 34.32 C ATOM 1476 CG GLU A 90 7.749 -6.736 19.180 1.00 0.33 C ATOM 1477 CD GLU A 90 9.097 -6.521 19.893 1.00 14.24 C ATOM 1478 OE1 GLU A 90 9.825 -7.512 20.121 1.00 73.32 O ATOM 1479 OE2 GLU A 90 9.436 -5.364 20.227 1.00 22.22 O ATOM 0 H GLU A 90 4.616 -6.461 17.671 1.00 22.41 H new ATOM 0 HA GLU A 90 5.408 -8.179 18.725 1.00 42.11 H new ATOM 0 HB2 GLU A 90 6.449 -6.204 20.815 1.00 34.32 H new ATOM 0 HB3 GLU A 90 6.886 -7.901 20.775 1.00 34.32 H new ATOM 0 HG2 GLU A 90 7.850 -7.551 18.464 1.00 0.33 H new ATOM 0 HG3 GLU A 90 7.499 -5.841 18.611 1.00 0.33 H new ATOM 1486 N LEU A 91 3.990 -7.230 21.582 1.00 25.44 N ATOM 1487 CA LEU A 91 3.279 -7.737 22.778 1.00 71.44 C ATOM 1488 C LEU A 91 1.773 -7.946 22.514 1.00 72.42 C ATOM 1489 O LEU A 91 1.181 -8.918 22.985 1.00 74.55 O ATOM 1490 CB LEU A 91 3.488 -6.752 23.964 1.00 64.40 C ATOM 1491 CG LEU A 91 4.971 -6.354 24.274 1.00 1.52 C ATOM 1492 CD1 LEU A 91 5.051 -5.393 25.475 1.00 11.12 C ATOM 1493 CD2 LEU A 91 5.865 -7.597 24.492 1.00 64.04 C ATOM 0 H LEU A 91 4.295 -6.261 21.674 1.00 25.44 H new ATOM 0 HA LEU A 91 3.698 -8.711 23.029 1.00 71.44 H new ATOM 0 HB2 LEU A 91 2.924 -5.842 23.758 1.00 64.40 H new ATOM 0 HB3 LEU A 91 3.057 -7.198 24.861 1.00 64.40 H new ATOM 0 HG LEU A 91 5.354 -5.829 23.399 1.00 1.52 H new ATOM 0 HD11 LEU A 91 6.093 -5.135 25.666 1.00 11.12 H new ATOM 0 HD12 LEU A 91 4.487 -4.487 25.254 1.00 11.12 H new ATOM 0 HD13 LEU A 91 4.630 -5.876 26.356 1.00 11.12 H new ATOM 0 HD21 LEU A 91 6.886 -7.278 24.704 1.00 64.04 H new ATOM 0 HD22 LEU A 91 5.483 -8.177 25.333 1.00 64.04 H new ATOM 0 HD23 LEU A 91 5.857 -8.213 23.593 1.00 64.04 H new ATOM 1505 N THR A 92 1.167 -7.011 21.758 1.00 10.32 N ATOM 1506 CA THR A 92 -0.270 -7.079 21.402 1.00 45.32 C ATOM 1507 C THR A 92 -0.508 -7.945 20.138 1.00 72.41 C ATOM 1508 O THR A 92 -1.594 -8.500 19.945 1.00 34.41 O ATOM 1509 CB THR A 92 -0.876 -5.648 21.202 1.00 44.21 C ATOM 1510 OG1 THR A 92 -2.309 -5.722 21.079 1.00 71.21 O ATOM 1511 CG2 THR A 92 -0.284 -4.925 19.975 1.00 1.22 C ATOM 0 H THR A 92 1.649 -6.196 21.379 1.00 10.32 H new ATOM 0 HA THR A 92 -0.781 -7.556 22.238 1.00 45.32 H new ATOM 0 HB THR A 92 -0.613 -5.066 22.085 1.00 44.21 H new ATOM 0 HG1 THR A 92 -2.557 -5.718 20.131 1.00 71.21 H new ATOM 0 HG21 THR A 92 -0.737 -3.938 19.881 1.00 1.22 H new ATOM 0 HG22 THR A 92 0.794 -4.819 20.100 1.00 1.22 H new ATOM 0 HG23 THR A 92 -0.490 -5.506 19.076 1.00 1.22 H new ATOM 1519 N GLY A 93 0.530 -8.053 19.284 1.00 13.05 N ATOM 1520 CA GLY A 93 0.465 -8.854 18.046 1.00 4.21 C ATOM 1521 C GLY A 93 0.164 -8.042 16.777 1.00 4.02 C ATOM 1522 O GLY A 93 0.623 -8.406 15.693 1.00 34.14 O ATOM 0 H GLY A 93 1.428 -7.592 19.431 1.00 13.05 H new ATOM 0 HA2 GLY A 93 1.415 -9.373 17.914 1.00 4.21 H new ATOM 0 HA3 GLY A 93 -0.302 -9.619 18.163 1.00 4.21 H new ATOM 1526 N ASP A 94 -0.597 -6.937 16.914 1.00 43.42 N ATOM 1527 CA ASP A 94 -1.049 -6.106 15.764 1.00 24.44 C ATOM 1528 C ASP A 94 0.113 -5.517 14.917 1.00 42.23 C ATOM 1529 O ASP A 94 1.280 -5.466 15.345 1.00 23.40 O ATOM 1530 CB ASP A 94 -1.941 -4.946 16.268 1.00 22.14 C ATOM 1531 CG ASP A 94 -3.218 -5.432 16.967 1.00 31.41 C ATOM 1532 OD1 ASP A 94 -3.179 -5.670 18.192 1.00 24.24 O ATOM 1533 OD2 ASP A 94 -4.264 -5.568 16.302 1.00 14.15 O ATOM 0 H ASP A 94 -0.918 -6.591 17.818 1.00 43.42 H new ATOM 0 HA ASP A 94 -1.608 -6.778 15.113 1.00 24.44 H new ATOM 0 HB2 ASP A 94 -1.368 -4.328 16.959 1.00 22.14 H new ATOM 0 HB3 ASP A 94 -2.214 -4.312 15.425 1.00 22.14 H new ATOM 1538 N TYR A 95 -0.247 -5.062 13.703 1.00 44.02 N ATOM 1539 CA TYR A 95 0.662 -4.369 12.771 1.00 61.31 C ATOM 1540 C TYR A 95 0.171 -2.932 12.489 1.00 72.51 C ATOM 1541 O TYR A 95 -0.998 -2.713 12.150 1.00 64.33 O ATOM 1542 CB TYR A 95 0.798 -5.183 11.441 1.00 63.41 C ATOM 1543 CG TYR A 95 1.894 -6.257 11.504 1.00 30.40 C ATOM 1544 CD1 TYR A 95 1.752 -7.403 12.283 1.00 22.52 C ATOM 1545 CD2 TYR A 95 3.097 -6.086 10.820 1.00 20.34 C ATOM 1546 CE1 TYR A 95 2.772 -8.328 12.378 1.00 54.41 C ATOM 1547 CE2 TYR A 95 4.111 -7.009 10.898 1.00 71.23 C ATOM 1548 CZ TYR A 95 3.950 -8.132 11.686 1.00 73.33 C ATOM 1549 OH TYR A 95 4.972 -9.051 11.805 1.00 25.54 O ATOM 0 H TYR A 95 -1.193 -5.167 13.336 1.00 44.02 H new ATOM 0 HA TYR A 95 1.646 -4.300 13.236 1.00 61.31 H new ATOM 0 HB2 TYR A 95 -0.156 -5.658 11.213 1.00 63.41 H new ATOM 0 HB3 TYR A 95 1.016 -4.497 10.622 1.00 63.41 H new ATOM 0 HD1 TYR A 95 0.830 -7.570 12.821 1.00 22.52 H new ATOM 0 HD2 TYR A 95 3.235 -5.204 10.212 1.00 20.34 H new ATOM 0 HE1 TYR A 95 2.648 -9.206 12.994 1.00 54.41 H new ATOM 0 HE2 TYR A 95 5.028 -6.858 10.347 1.00 71.23 H new ATOM 0 HH TYR A 95 5.732 -8.769 11.254 1.00 25.54 H new ATOM 1559 N VAL A 96 1.096 -1.968 12.649 1.00 45.12 N ATOM 1560 CA VAL A 96 0.906 -0.558 12.269 1.00 62.22 C ATOM 1561 C VAL A 96 1.141 -0.410 10.750 1.00 64.23 C ATOM 1562 O VAL A 96 2.286 -0.358 10.290 1.00 34.52 O ATOM 1563 CB VAL A 96 1.894 0.371 13.083 1.00 40.23 C ATOM 1564 CG1 VAL A 96 1.797 1.846 12.642 1.00 0.05 C ATOM 1565 CG2 VAL A 96 1.654 0.236 14.606 1.00 4.02 C ATOM 0 H VAL A 96 2.014 -2.152 13.054 1.00 45.12 H new ATOM 0 HA VAL A 96 -0.112 -0.250 12.506 1.00 62.22 H new ATOM 0 HB VAL A 96 2.906 0.033 12.862 1.00 40.23 H new ATOM 0 HG11 VAL A 96 2.493 2.447 13.227 1.00 0.05 H new ATOM 0 HG12 VAL A 96 2.048 1.927 11.584 1.00 0.05 H new ATOM 0 HG13 VAL A 96 0.781 2.208 12.802 1.00 0.05 H new ATOM 0 HG21 VAL A 96 2.346 0.885 15.142 1.00 4.02 H new ATOM 0 HG22 VAL A 96 0.630 0.526 14.840 1.00 4.02 H new ATOM 0 HG23 VAL A 96 1.817 -0.798 14.910 1.00 4.02 H new ATOM 1575 N LEU A 97 0.049 -0.385 9.976 1.00 72.34 N ATOM 1576 CA LEU A 97 0.117 -0.385 8.503 1.00 33.01 C ATOM 1577 C LEU A 97 -0.002 1.052 7.962 1.00 0.44 C ATOM 1578 O LEU A 97 -1.080 1.634 7.978 1.00 63.22 O ATOM 1579 CB LEU A 97 -1.006 -1.284 7.925 1.00 0.42 C ATOM 1580 CG LEU A 97 -0.924 -1.555 6.396 1.00 32.35 C ATOM 1581 CD1 LEU A 97 0.364 -2.329 6.047 1.00 73.15 C ATOM 1582 CD2 LEU A 97 -2.187 -2.279 5.881 1.00 34.24 C ATOM 0 H LEU A 97 -0.901 -0.364 10.346 1.00 72.34 H new ATOM 0 HA LEU A 97 1.081 -0.787 8.191 1.00 33.01 H new ATOM 0 HB2 LEU A 97 -0.987 -2.240 8.448 1.00 0.42 H new ATOM 0 HB3 LEU A 97 -1.968 -0.820 8.143 1.00 0.42 H new ATOM 0 HG LEU A 97 -0.881 -0.593 5.885 1.00 32.35 H new ATOM 0 HD11 LEU A 97 0.401 -2.508 4.972 1.00 73.15 H new ATOM 0 HD12 LEU A 97 1.233 -1.744 6.348 1.00 73.15 H new ATOM 0 HD13 LEU A 97 0.369 -3.283 6.574 1.00 73.15 H new ATOM 0 HD21 LEU A 97 -2.095 -2.452 4.809 1.00 34.24 H new ATOM 0 HD22 LEU A 97 -2.294 -3.234 6.395 1.00 34.24 H new ATOM 0 HD23 LEU A 97 -3.065 -1.662 6.075 1.00 34.24 H new ATOM 1594 N GLU A 98 1.104 1.606 7.441 1.00 42.03 N ATOM 1595 CA GLU A 98 1.178 3.041 7.074 1.00 73.10 C ATOM 1596 C GLU A 98 1.314 3.216 5.544 1.00 3.31 C ATOM 1597 O GLU A 98 2.368 2.939 4.960 1.00 35.30 O ATOM 1598 CB GLU A 98 2.355 3.728 7.822 1.00 32.35 C ATOM 1599 CG GLU A 98 2.299 3.573 9.361 1.00 70.24 C ATOM 1600 CD GLU A 98 3.364 4.391 10.120 1.00 14.21 C ATOM 1601 OE1 GLU A 98 4.529 4.421 9.683 1.00 33.13 O ATOM 1602 OE2 GLU A 98 3.040 5.010 11.159 1.00 24.33 O ATOM 0 H GLU A 98 1.963 1.087 7.262 1.00 42.03 H new ATOM 0 HA GLU A 98 0.249 3.523 7.379 1.00 73.10 H new ATOM 0 HB2 GLU A 98 3.295 3.312 7.459 1.00 32.35 H new ATOM 0 HB3 GLU A 98 2.360 4.789 7.574 1.00 32.35 H new ATOM 0 HG2 GLU A 98 1.311 3.873 9.709 1.00 70.24 H new ATOM 0 HG3 GLU A 98 2.419 2.519 9.613 1.00 70.24 H new ATOM 1609 N ILE A 99 0.215 3.654 4.911 1.00 52.14 N ATOM 1610 CA ILE A 99 0.168 4.016 3.483 1.00 73.10 C ATOM 1611 C ILE A 99 0.328 5.552 3.341 1.00 33.12 C ATOM 1612 O ILE A 99 -0.516 6.317 3.803 1.00 42.22 O ATOM 1613 CB ILE A 99 -1.196 3.514 2.808 1.00 34.42 C ATOM 1614 CG1 ILE A 99 -1.167 1.966 2.510 1.00 62.52 C ATOM 1615 CG2 ILE A 99 -1.556 4.309 1.520 1.00 41.11 C ATOM 1616 CD1 ILE A 99 -1.147 1.053 3.724 1.00 3.14 C ATOM 0 H ILE A 99 -0.682 3.769 5.383 1.00 52.14 H new ATOM 0 HA ILE A 99 0.988 3.522 2.961 1.00 73.10 H new ATOM 0 HB ILE A 99 -1.980 3.708 3.540 1.00 34.42 H new ATOM 0 HG12 ILE A 99 -2.040 1.716 1.907 1.00 62.52 H new ATOM 0 HG13 ILE A 99 -0.288 1.750 1.903 1.00 62.52 H new ATOM 0 HG21 ILE A 99 -2.489 3.927 1.105 1.00 41.11 H new ATOM 0 HG22 ILE A 99 -1.674 5.365 1.765 1.00 41.11 H new ATOM 0 HG23 ILE A 99 -0.758 4.193 0.786 1.00 41.11 H new ATOM 0 HD11 ILE A 99 -1.128 0.013 3.397 1.00 3.14 H new ATOM 0 HD12 ILE A 99 -0.260 1.262 4.322 1.00 3.14 H new ATOM 0 HD13 ILE A 99 -2.039 1.228 4.325 1.00 3.14 H new ATOM 1628 N THR A 100 1.420 5.996 2.707 1.00 50.35 N ATOM 1629 CA THR A 100 1.622 7.414 2.350 1.00 23.14 C ATOM 1630 C THR A 100 1.070 7.659 0.939 1.00 45.31 C ATOM 1631 O THR A 100 1.480 6.993 -0.017 1.00 61.22 O ATOM 1632 CB THR A 100 3.130 7.811 2.386 1.00 14.01 C ATOM 1633 OG1 THR A 100 3.666 7.625 3.708 1.00 63.32 O ATOM 1634 CG2 THR A 100 3.378 9.268 1.935 1.00 54.31 C ATOM 0 H THR A 100 2.189 5.388 2.426 1.00 50.35 H new ATOM 0 HA THR A 100 1.096 8.026 3.083 1.00 23.14 H new ATOM 0 HB THR A 100 3.638 7.156 1.678 1.00 14.01 H new ATOM 0 HG1 THR A 100 4.645 7.624 3.667 1.00 63.32 H new ATOM 0 HG21 THR A 100 4.445 9.487 1.981 1.00 54.31 H new ATOM 0 HG22 THR A 100 3.025 9.397 0.912 1.00 54.31 H new ATOM 0 HG23 THR A 100 2.839 9.949 2.594 1.00 54.31 H new ATOM 1642 N ASP A 101 0.135 8.607 0.825 1.00 3.55 N ATOM 1643 CA ASP A 101 -0.505 8.971 -0.450 1.00 41.52 C ATOM 1644 C ASP A 101 -0.531 10.505 -0.613 1.00 54.55 C ATOM 1645 O ASP A 101 -0.364 11.252 0.356 1.00 52.23 O ATOM 1646 CB ASP A 101 -1.939 8.371 -0.485 1.00 64.03 C ATOM 1647 CG ASP A 101 -2.723 8.698 -1.772 1.00 11.10 C ATOM 1648 OD1 ASP A 101 -2.214 8.397 -2.876 1.00 53.00 O ATOM 1649 OD2 ASP A 101 -3.856 9.220 -1.690 1.00 60.22 O ATOM 0 H ASP A 101 -0.204 9.150 1.619 1.00 3.55 H new ATOM 0 HA ASP A 101 0.065 8.563 -1.284 1.00 41.52 H new ATOM 0 HB2 ASP A 101 -1.872 7.288 -0.378 1.00 64.03 H new ATOM 0 HB3 ASP A 101 -2.498 8.742 0.374 1.00 64.03 H new ATOM 1654 N PHE A 102 -0.715 10.964 -1.858 1.00 63.40 N ATOM 1655 CA PHE A 102 -0.910 12.389 -2.176 1.00 32.40 C ATOM 1656 C PHE A 102 -2.328 12.591 -2.778 1.00 43.33 C ATOM 1657 O PHE A 102 -2.705 11.942 -3.765 1.00 74.35 O ATOM 1658 CB PHE A 102 0.213 12.901 -3.141 1.00 50.12 C ATOM 1659 CG PHE A 102 0.164 12.347 -4.583 1.00 14.04 C ATOM 1660 CD1 PHE A 102 0.321 10.984 -4.837 1.00 12.04 C ATOM 1661 CD2 PHE A 102 -0.047 13.196 -5.680 1.00 12.23 C ATOM 1662 CE1 PHE A 102 0.251 10.483 -6.128 1.00 33.30 C ATOM 1663 CE2 PHE A 102 -0.110 12.693 -6.973 1.00 62.14 C ATOM 1664 CZ PHE A 102 0.041 11.337 -7.195 1.00 54.31 C ATOM 0 H PHE A 102 -0.733 10.357 -2.678 1.00 63.40 H new ATOM 0 HA PHE A 102 -0.836 12.981 -1.263 1.00 32.40 H new ATOM 0 HB2 PHE A 102 0.158 13.989 -3.188 1.00 50.12 H new ATOM 0 HB3 PHE A 102 1.181 12.649 -2.708 1.00 50.12 H new ATOM 0 HD1 PHE A 102 0.500 10.308 -4.014 1.00 12.04 H new ATOM 0 HD2 PHE A 102 -0.162 14.257 -5.516 1.00 12.23 H new ATOM 0 HE1 PHE A 102 0.361 9.423 -6.301 1.00 33.30 H new ATOM 0 HE2 PHE A 102 -0.277 13.361 -7.805 1.00 62.14 H new ATOM 0 HZ PHE A 102 -0.005 10.945 -8.200 1.00 54.31 H new ATOM 1674 N SER A 103 -3.124 13.447 -2.136 1.00 14.03 N ATOM 1675 CA SER A 103 -4.457 13.866 -2.632 1.00 61.24 C ATOM 1676 C SER A 103 -4.630 15.375 -2.409 1.00 52.55 C ATOM 1677 O SER A 103 -3.893 15.968 -1.635 1.00 44.13 O ATOM 1678 CB SER A 103 -5.590 13.086 -1.905 1.00 51.42 C ATOM 1679 OG SER A 103 -5.534 11.689 -2.177 1.00 42.12 O ATOM 0 H SER A 103 -2.869 13.879 -1.248 1.00 14.03 H new ATOM 0 HA SER A 103 -4.522 13.642 -3.697 1.00 61.24 H new ATOM 0 HB2 SER A 103 -5.511 13.250 -0.830 1.00 51.42 H new ATOM 0 HB3 SER A 103 -6.558 13.478 -2.217 1.00 51.42 H new ATOM 0 HG SER A 103 -4.746 11.302 -1.742 1.00 42.12 H new ATOM 1685 N GLU A 104 -5.577 16.003 -3.108 1.00 71.44 N ATOM 1686 CA GLU A 104 -5.976 17.399 -2.812 1.00 32.21 C ATOM 1687 C GLU A 104 -6.734 17.436 -1.456 1.00 53.53 C ATOM 1688 O GLU A 104 -7.373 16.447 -1.089 1.00 10.33 O ATOM 1689 CB GLU A 104 -6.857 17.957 -3.960 1.00 11.13 C ATOM 1690 CG GLU A 104 -6.157 17.951 -5.335 1.00 60.02 C ATOM 1691 CD GLU A 104 -7.021 18.460 -6.501 1.00 32.11 C ATOM 1692 OE1 GLU A 104 -7.683 19.509 -6.353 1.00 30.33 O ATOM 1693 OE2 GLU A 104 -7.005 17.839 -7.586 1.00 54.03 O ATOM 0 H GLU A 104 -6.086 15.577 -3.882 1.00 71.44 H new ATOM 0 HA GLU A 104 -5.089 18.029 -2.736 1.00 32.21 H new ATOM 0 HB2 GLU A 104 -7.771 17.367 -4.025 1.00 11.13 H new ATOM 0 HB3 GLU A 104 -7.153 18.978 -3.717 1.00 11.13 H new ATOM 0 HG2 GLU A 104 -5.258 18.565 -5.272 1.00 60.02 H new ATOM 0 HG3 GLU A 104 -5.834 16.934 -5.558 1.00 60.02 H new ATOM 1700 N ALA A 105 -6.611 18.545 -0.695 1.00 15.42 N ATOM 1701 CA ALA A 105 -7.314 18.712 0.614 1.00 21.10 C ATOM 1702 C ALA A 105 -8.842 18.411 0.542 1.00 52.44 C ATOM 1703 O ALA A 105 -9.407 17.803 1.455 1.00 52.30 O ATOM 1704 CB ALA A 105 -7.078 20.128 1.149 1.00 1.12 C ATOM 0 H ALA A 105 -6.033 19.343 -0.957 1.00 15.42 H new ATOM 0 HA ALA A 105 -6.890 17.974 1.296 1.00 21.10 H new ATOM 0 HB1 ALA A 105 -7.592 20.247 2.103 1.00 1.12 H new ATOM 0 HB2 ALA A 105 -6.009 20.290 1.289 1.00 1.12 H new ATOM 0 HB3 ALA A 105 -7.465 20.856 0.436 1.00 1.12 H new ATOM 1710 N ASP A 106 -9.468 18.824 -0.577 1.00 30.22 N ATOM 1711 CA ASP A 106 -10.912 18.599 -0.857 1.00 40.12 C ATOM 1712 C ASP A 106 -11.275 17.082 -0.977 1.00 45.43 C ATOM 1713 O ASP A 106 -12.415 16.684 -0.727 1.00 62.30 O ATOM 1714 CB ASP A 106 -11.288 19.374 -2.143 1.00 3.05 C ATOM 1715 CG ASP A 106 -12.790 19.326 -2.467 1.00 14.23 C ATOM 1716 OD1 ASP A 106 -13.585 19.929 -1.716 1.00 1.35 O ATOM 1717 OD2 ASP A 106 -13.185 18.701 -3.474 1.00 22.33 O ATOM 0 H ASP A 106 -8.988 19.328 -1.322 1.00 30.22 H new ATOM 0 HA ASP A 106 -11.493 18.972 -0.013 1.00 40.12 H new ATOM 0 HB2 ASP A 106 -10.980 20.414 -2.035 1.00 3.05 H new ATOM 0 HB3 ASP A 106 -10.729 18.962 -2.983 1.00 3.05 H new ATOM 1722 N GLU A 107 -10.276 16.251 -1.323 1.00 2.41 N ATOM 1723 CA GLU A 107 -10.427 14.779 -1.493 1.00 13.11 C ATOM 1724 C GLU A 107 -9.934 14.029 -0.233 1.00 74.11 C ATOM 1725 O GLU A 107 -10.383 12.916 0.054 1.00 54.32 O ATOM 1726 CB GLU A 107 -9.586 14.297 -2.702 1.00 14.33 C ATOM 1727 CG GLU A 107 -9.825 15.063 -4.012 1.00 43.23 C ATOM 1728 CD GLU A 107 -8.884 14.602 -5.136 1.00 43.43 C ATOM 1729 OE1 GLU A 107 -7.651 14.620 -4.920 1.00 74.11 O ATOM 1730 OE2 GLU A 107 -9.359 14.213 -6.227 1.00 31.53 O ATOM 0 H GLU A 107 -9.326 16.578 -1.497 1.00 2.41 H new ATOM 0 HA GLU A 107 -11.484 14.568 -1.656 1.00 13.11 H new ATOM 0 HB2 GLU A 107 -8.530 14.373 -2.443 1.00 14.33 H new ATOM 0 HB3 GLU A 107 -9.797 13.241 -2.873 1.00 14.33 H new ATOM 0 HG2 GLU A 107 -10.859 14.925 -4.327 1.00 43.23 H new ATOM 0 HG3 GLU A 107 -9.684 16.130 -3.838 1.00 43.23 H new ATOM 1737 N ALA A 108 -8.989 14.663 0.497 1.00 53.12 N ATOM 1738 CA ALA A 108 -8.251 14.038 1.618 1.00 53.20 C ATOM 1739 C ALA A 108 -9.190 13.592 2.755 1.00 1.43 C ATOM 1740 O ALA A 108 -8.999 12.527 3.320 1.00 5.05 O ATOM 1741 CB ALA A 108 -7.166 14.991 2.148 1.00 54.14 C ATOM 0 H ALA A 108 -8.715 15.630 0.323 1.00 53.12 H new ATOM 0 HA ALA A 108 -7.770 13.140 1.230 1.00 53.20 H new ATOM 0 HB1 ALA A 108 -6.634 14.515 2.972 1.00 54.14 H new ATOM 0 HB2 ALA A 108 -6.463 15.223 1.348 1.00 54.14 H new ATOM 0 HB3 ALA A 108 -7.631 15.912 2.501 1.00 54.14 H new ATOM 1747 N ASP A 109 -10.229 14.389 3.051 1.00 15.01 N ATOM 1748 CA ASP A 109 -11.219 14.057 4.112 1.00 72.12 C ATOM 1749 C ASP A 109 -11.976 12.728 3.825 1.00 4.21 C ATOM 1750 O ASP A 109 -12.459 12.077 4.754 1.00 51.41 O ATOM 1751 CB ASP A 109 -12.213 15.221 4.284 1.00 30.54 C ATOM 1752 CG ASP A 109 -11.501 16.531 4.651 1.00 15.12 C ATOM 1753 OD1 ASP A 109 -11.241 16.766 5.851 1.00 0.21 O ATOM 1754 OD2 ASP A 109 -11.160 17.308 3.740 1.00 30.11 O ATOM 0 H ASP A 109 -10.414 15.272 2.575 1.00 15.01 H new ATOM 0 HA ASP A 109 -10.667 13.910 5.040 1.00 72.12 H new ATOM 0 HB2 ASP A 109 -12.774 15.359 3.360 1.00 30.54 H new ATOM 0 HB3 ASP A 109 -12.935 14.970 5.061 1.00 30.54 H new ATOM 1759 N ASP A 110 -12.066 12.347 2.532 1.00 63.35 N ATOM 1760 CA ASP A 110 -12.639 11.048 2.094 1.00 61.13 C ATOM 1761 C ASP A 110 -11.634 9.882 2.316 1.00 30.54 C ATOM 1762 O ASP A 110 -12.033 8.728 2.470 1.00 30.23 O ATOM 1763 CB ASP A 110 -13.054 11.120 0.607 1.00 63.13 C ATOM 1764 CG ASP A 110 -14.005 12.291 0.320 1.00 11.33 C ATOM 1765 OD1 ASP A 110 -13.517 13.418 0.085 1.00 62.14 O ATOM 1766 OD2 ASP A 110 -15.241 12.095 0.336 1.00 64.02 O ATOM 0 H ASP A 110 -11.744 12.930 1.759 1.00 63.35 H new ATOM 0 HA ASP A 110 -13.522 10.850 2.701 1.00 61.13 H new ATOM 0 HB2 ASP A 110 -12.162 11.220 -0.012 1.00 63.13 H new ATOM 0 HB3 ASP A 110 -13.537 10.185 0.322 1.00 63.13 H new ATOM 1771 N LEU A 111 -10.331 10.205 2.303 1.00 31.43 N ATOM 1772 CA LEU A 111 -9.236 9.253 2.647 1.00 64.34 C ATOM 1773 C LEU A 111 -9.198 8.957 4.163 1.00 2.23 C ATOM 1774 O LEU A 111 -8.939 7.824 4.579 1.00 42.25 O ATOM 1775 CB LEU A 111 -7.861 9.816 2.175 1.00 14.33 C ATOM 1776 CG LEU A 111 -7.477 9.573 0.682 1.00 52.13 C ATOM 1777 CD1 LEU A 111 -7.380 8.066 0.392 1.00 52.14 C ATOM 1778 CD2 LEU A 111 -8.447 10.286 -0.281 1.00 22.32 C ATOM 0 H LEU A 111 -9.995 11.135 2.054 1.00 31.43 H new ATOM 0 HA LEU A 111 -9.436 8.316 2.128 1.00 64.34 H new ATOM 0 HB2 LEU A 111 -7.853 10.891 2.357 1.00 14.33 H new ATOM 0 HB3 LEU A 111 -7.082 9.381 2.801 1.00 14.33 H new ATOM 0 HG LEU A 111 -6.494 10.011 0.508 1.00 52.13 H new ATOM 0 HD11 LEU A 111 -7.111 7.913 -0.653 1.00 52.14 H new ATOM 0 HD12 LEU A 111 -6.618 7.621 1.031 1.00 52.14 H new ATOM 0 HD13 LEU A 111 -8.342 7.594 0.592 1.00 52.14 H new ATOM 0 HD21 LEU A 111 -8.146 10.092 -1.310 1.00 22.32 H new ATOM 0 HD22 LEU A 111 -9.458 9.911 -0.122 1.00 22.32 H new ATOM 0 HD23 LEU A 111 -8.424 11.359 -0.092 1.00 22.32 H new ATOM 1790 N LYS A 112 -9.423 9.993 4.985 1.00 61.31 N ATOM 1791 CA LYS A 112 -9.566 9.822 6.451 1.00 31.04 C ATOM 1792 C LYS A 112 -10.928 9.160 6.792 1.00 73.22 C ATOM 1793 O LYS A 112 -11.048 8.472 7.806 1.00 21.41 O ATOM 1794 CB LYS A 112 -9.373 11.159 7.223 1.00 71.00 C ATOM 1795 CG LYS A 112 -7.925 11.745 7.197 1.00 42.01 C ATOM 1796 CD LYS A 112 -7.590 12.537 5.916 1.00 55.23 C ATOM 1797 CE LYS A 112 -6.290 13.353 6.020 1.00 63.21 C ATOM 1798 NZ LYS A 112 -6.436 14.519 6.935 1.00 54.43 N ATOM 0 H LYS A 112 -9.511 10.958 4.667 1.00 61.31 H new ATOM 0 HA LYS A 112 -8.769 9.157 6.782 1.00 31.04 H new ATOM 0 HB2 LYS A 112 -10.054 11.901 6.807 1.00 71.00 H new ATOM 0 HB3 LYS A 112 -9.666 11.005 8.262 1.00 71.00 H new ATOM 0 HG2 LYS A 112 -7.793 12.398 8.060 1.00 42.01 H new ATOM 0 HG3 LYS A 112 -7.212 10.928 7.303 1.00 42.01 H new ATOM 0 HD2 LYS A 112 -7.507 11.842 5.080 1.00 55.23 H new ATOM 0 HD3 LYS A 112 -8.416 13.212 5.689 1.00 55.23 H new ATOM 0 HE2 LYS A 112 -5.486 12.710 6.377 1.00 63.21 H new ATOM 0 HE3 LYS A 112 -6.001 13.703 5.029 1.00 63.21 H new ATOM 0 HZ1 LYS A 112 -6.046 15.369 6.480 1.00 54.43 H new ATOM 0 HZ2 LYS A 112 -7.443 14.671 7.146 1.00 54.43 H new ATOM 0 HZ3 LYS A 112 -5.922 14.333 7.819 1.00 54.43 H new ATOM 1812 N GLU A 113 -11.950 9.403 5.943 1.00 74.21 N ATOM 1813 CA GLU A 113 -13.248 8.670 5.990 1.00 31.31 C ATOM 1814 C GLU A 113 -13.043 7.163 5.682 1.00 12.54 C ATOM 1815 O GLU A 113 -13.677 6.303 6.295 1.00 74.53 O ATOM 1816 CB GLU A 113 -14.251 9.261 4.964 1.00 63.12 C ATOM 1817 CG GLU A 113 -15.636 8.572 4.935 1.00 43.40 C ATOM 1818 CD GLU A 113 -16.502 9.000 3.740 1.00 51.32 C ATOM 1819 OE1 GLU A 113 -16.187 8.590 2.604 1.00 0.44 O ATOM 1820 OE2 GLU A 113 -17.497 9.739 3.921 1.00 20.31 O ATOM 0 H GLU A 113 -11.906 10.108 5.207 1.00 74.21 H new ATOM 0 HA GLU A 113 -13.650 8.782 6.997 1.00 31.31 H new ATOM 0 HB2 GLU A 113 -14.392 10.319 5.184 1.00 63.12 H new ATOM 0 HB3 GLU A 113 -13.810 9.199 3.969 1.00 63.12 H new ATOM 0 HG2 GLU A 113 -15.496 7.491 4.905 1.00 43.40 H new ATOM 0 HG3 GLU A 113 -16.167 8.799 5.860 1.00 43.40 H new ATOM 1827 N LEU A 114 -12.159 6.879 4.701 1.00 63.54 N ATOM 1828 CA LEU A 114 -11.753 5.498 4.337 1.00 43.34 C ATOM 1829 C LEU A 114 -11.179 4.762 5.568 1.00 14.53 C ATOM 1830 O LEU A 114 -11.562 3.633 5.850 1.00 74.42 O ATOM 1831 CB LEU A 114 -10.707 5.539 3.187 1.00 51.41 C ATOM 1832 CG LEU A 114 -10.084 4.171 2.755 1.00 53.34 C ATOM 1833 CD1 LEU A 114 -11.159 3.199 2.215 1.00 14.33 C ATOM 1834 CD2 LEU A 114 -8.933 4.379 1.738 1.00 55.12 C ATOM 0 H LEU A 114 -11.705 7.598 4.138 1.00 63.54 H new ATOM 0 HA LEU A 114 -12.631 4.951 3.992 1.00 43.34 H new ATOM 0 HB2 LEU A 114 -11.179 5.989 2.314 1.00 51.41 H new ATOM 0 HB3 LEU A 114 -9.896 6.202 3.488 1.00 51.41 H new ATOM 0 HG LEU A 114 -9.656 3.707 3.644 1.00 53.34 H new ATOM 0 HD11 LEU A 114 -10.688 2.260 1.925 1.00 14.33 H new ATOM 0 HD12 LEU A 114 -11.900 3.009 2.991 1.00 14.33 H new ATOM 0 HD13 LEU A 114 -11.648 3.643 1.348 1.00 14.33 H new ATOM 0 HD21 LEU A 114 -8.518 3.412 1.455 1.00 55.12 H new ATOM 0 HD22 LEU A 114 -9.318 4.882 0.851 1.00 55.12 H new ATOM 0 HD23 LEU A 114 -8.152 4.990 2.192 1.00 55.12 H new ATOM 1846 N TRP A 115 -10.303 5.459 6.315 1.00 32.32 N ATOM 1847 CA TRP A 115 -9.744 4.952 7.589 1.00 35.24 C ATOM 1848 C TRP A 115 -10.851 4.799 8.668 1.00 0.12 C ATOM 1849 O TRP A 115 -10.889 3.790 9.371 1.00 52.41 O ATOM 1850 CB TRP A 115 -8.586 5.873 8.087 1.00 3.43 C ATOM 1851 CG TRP A 115 -8.172 5.685 9.546 1.00 40.32 C ATOM 1852 CD1 TRP A 115 -8.057 6.674 10.491 1.00 33.24 C ATOM 1853 CD2 TRP A 115 -7.863 4.449 10.236 1.00 72.53 C ATOM 1854 NE1 TRP A 115 -7.678 6.139 11.695 1.00 23.40 N ATOM 1855 CE2 TRP A 115 -7.564 4.781 11.569 1.00 12.35 C ATOM 1856 CE3 TRP A 115 -7.819 3.098 9.860 1.00 64.12 C ATOM 1857 CZ2 TRP A 115 -7.214 3.824 12.519 1.00 15.25 C ATOM 1858 CZ3 TRP A 115 -7.476 2.151 10.803 1.00 31.22 C ATOM 1859 CH2 TRP A 115 -7.183 2.519 12.120 1.00 33.30 C ATOM 0 H TRP A 115 -9.962 6.385 6.057 1.00 32.32 H new ATOM 0 HA TRP A 115 -9.330 3.960 7.407 1.00 35.24 H new ATOM 0 HB2 TRP A 115 -7.714 5.703 7.456 1.00 3.43 H new ATOM 0 HB3 TRP A 115 -8.885 6.911 7.944 1.00 3.43 H new ATOM 0 HD1 TRP A 115 -8.239 7.723 10.312 1.00 33.24 H new ATOM 0 HE1 TRP A 115 -7.508 6.669 12.550 1.00 23.40 H new ATOM 0 HE3 TRP A 115 -8.050 2.804 8.847 1.00 64.12 H new ATOM 0 HZ2 TRP A 115 -6.976 4.104 13.534 1.00 15.25 H new ATOM 0 HZ3 TRP A 115 -7.433 1.110 10.520 1.00 31.22 H new ATOM 0 HH2 TRP A 115 -6.926 1.754 12.837 1.00 33.30 H new ATOM 1870 N ASP A 116 -11.753 5.789 8.776 1.00 54.32 N ATOM 1871 CA ASP A 116 -12.841 5.786 9.787 1.00 1.41 C ATOM 1872 C ASP A 116 -13.809 4.584 9.567 1.00 44.24 C ATOM 1873 O ASP A 116 -14.369 4.020 10.517 1.00 62.24 O ATOM 1874 CB ASP A 116 -13.602 7.133 9.734 1.00 74.23 C ATOM 1875 CG ASP A 116 -14.584 7.308 10.900 1.00 53.13 C ATOM 1876 OD1 ASP A 116 -14.142 7.670 12.008 1.00 71.03 O ATOM 1877 OD2 ASP A 116 -15.795 7.065 10.726 1.00 33.03 O ATOM 0 H ASP A 116 -11.755 6.612 8.173 1.00 54.32 H new ATOM 0 HA ASP A 116 -12.401 5.669 10.778 1.00 1.41 H new ATOM 0 HB2 ASP A 116 -12.883 7.952 9.745 1.00 74.23 H new ATOM 0 HB3 ASP A 116 -14.147 7.200 8.793 1.00 74.23 H new ATOM 1882 N SER A 117 -13.985 4.210 8.292 1.00 4.43 N ATOM 1883 CA SER A 117 -14.748 3.010 7.886 1.00 31.40 C ATOM 1884 C SER A 117 -13.919 1.723 8.117 1.00 4.34 C ATOM 1885 O SER A 117 -14.449 0.711 8.581 1.00 62.10 O ATOM 1886 CB SER A 117 -15.172 3.118 6.398 1.00 4.15 C ATOM 1887 OG SER A 117 -15.978 2.020 6.001 1.00 44.42 O ATOM 0 H SER A 117 -13.601 4.732 7.504 1.00 4.43 H new ATOM 0 HA SER A 117 -15.645 2.953 8.503 1.00 31.40 H new ATOM 0 HB2 SER A 117 -15.720 4.047 6.242 1.00 4.15 H new ATOM 0 HB3 SER A 117 -14.283 3.163 5.769 1.00 4.15 H new ATOM 0 HG SER A 117 -16.228 2.121 5.059 1.00 44.42 H new ATOM 1893 N GLN A 118 -12.603 1.793 7.816 1.00 15.43 N ATOM 1894 CA GLN A 118 -11.680 0.634 7.912 1.00 61.32 C ATOM 1895 C GLN A 118 -11.385 0.207 9.360 1.00 23.53 C ATOM 1896 O GLN A 118 -11.198 -0.963 9.595 1.00 0.41 O ATOM 1897 CB GLN A 118 -10.347 0.900 7.148 1.00 54.42 C ATOM 1898 CG GLN A 118 -10.429 0.657 5.623 1.00 12.50 C ATOM 1899 CD GLN A 118 -10.733 -0.802 5.240 1.00 13.21 C ATOM 1900 OE1 GLN A 118 -11.376 -1.068 4.240 1.00 53.24 O ATOM 1901 NE2 GLN A 118 -10.234 -1.756 6.008 1.00 24.23 N ATOM 0 H GLN A 118 -12.150 2.650 7.500 1.00 15.43 H new ATOM 0 HA GLN A 118 -12.203 -0.195 7.436 1.00 61.32 H new ATOM 0 HB2 GLN A 118 -10.040 1.931 7.324 1.00 54.42 H new ATOM 0 HB3 GLN A 118 -9.569 0.261 7.565 1.00 54.42 H new ATOM 0 HG2 GLN A 118 -11.202 1.301 5.203 1.00 12.50 H new ATOM 0 HG3 GLN A 118 -9.485 0.953 5.166 1.00 12.50 H new ATOM 0 HE21 GLN A 118 -9.698 -1.512 6.841 1.00 24.23 H new ATOM 0 HE22 GLN A 118 -10.385 -2.736 5.767 1.00 24.23 H new ATOM 1910 N VAL A 119 -11.349 1.131 10.330 1.00 12.33 N ATOM 1911 CA VAL A 119 -11.092 0.762 11.744 1.00 11.13 C ATOM 1912 C VAL A 119 -12.241 -0.126 12.302 1.00 32.11 C ATOM 1913 O VAL A 119 -12.004 -1.071 13.066 1.00 74.41 O ATOM 1914 CB VAL A 119 -10.843 2.027 12.641 1.00 52.43 C ATOM 1915 CG1 VAL A 119 -12.052 2.987 12.647 1.00 64.10 C ATOM 1916 CG2 VAL A 119 -10.433 1.616 14.075 1.00 41.12 C ATOM 0 H VAL A 119 -11.492 2.129 10.173 1.00 12.33 H new ATOM 0 HA VAL A 119 -10.175 0.174 11.772 1.00 11.13 H new ATOM 0 HB VAL A 119 -10.013 2.578 12.200 1.00 52.43 H new ATOM 0 HG11 VAL A 119 -11.831 3.846 13.281 1.00 64.10 H new ATOM 0 HG12 VAL A 119 -12.251 3.328 11.631 1.00 64.10 H new ATOM 0 HG13 VAL A 119 -12.928 2.466 13.033 1.00 64.10 H new ATOM 0 HG21 VAL A 119 -10.266 2.510 14.676 1.00 41.12 H new ATOM 0 HG22 VAL A 119 -11.228 1.020 14.524 1.00 41.12 H new ATOM 0 HG23 VAL A 119 -9.516 1.028 14.037 1.00 41.12 H new