USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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 68 THR OG1 : rot 6:sc= 0.911 USER MOD Set 1.2: A 70 THR OG1 : rot 73:sc= -0.103 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -178:sc= -1.1 (180deg=-1.07) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 166:sc= -1.1 (180deg=-0.699) USER MOD Set 3.1: A 35 THR OG1 : rot 172:sc= -0.555! USER MOD Set 3.2: A 52 TYR OH : rot 180:sc= 0.158 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 6 ASN :FLIP amide:sc= -1.62! F(o=-2.8,f=-1.6!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.0086) USER MOD Single : A 11 TYR OH : rot -86:sc= 0.927 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -100:sc= -0.288 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -1.14 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 0.911 (180deg=-0.286) USER MOD Single : A 27 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -130:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.64) USER MOD Single : A 54 ASN : amide:sc= -0.0852 K(o=-0.085,f=-1.7!) USER MOD Single : A 56 ASN : amide:sc= -14.8! C(o=-15!,f=-15!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 175:sc=-0.00211 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= -0.857 (180deg=-1.06) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.856 -1.510 -2.686 1.00 72.23 N ATOM 12 CA TYR A 2 0.291 -2.483 -3.606 1.00 40.23 C ATOM 13 C TYR A 2 1.388 -3.161 -4.429 1.00 24.33 C ATOM 14 O TYR A 2 2.538 -2.725 -4.416 1.00 4.04 O ATOM 15 CB TYR A 2 -0.621 -1.693 -4.548 1.00 23.15 C ATOM 16 CG TYR A 2 -2.001 -1.384 -3.963 1.00 64.54 C ATOM 17 CD1 TYR A 2 -2.675 -2.347 -3.241 1.00 31.44 C ATOM 18 CD2 TYR A 2 -2.571 -0.143 -4.159 1.00 41.12 C ATOM 19 CE1 TYR A 2 -3.974 -2.057 -2.691 1.00 1.12 C ATOM 20 CE2 TYR A 2 -3.870 0.148 -3.609 1.00 62.44 C ATOM 21 CZ TYR A 2 -4.507 -0.824 -2.902 1.00 52.34 C ATOM 22 OH TYR A 2 -5.734 -0.549 -2.383 1.00 62.31 O ATOM 0 HA TYR A 2 -0.243 -3.261 -3.061 1.00 40.23 H new ATOM 0 HB2 TYR A 2 -0.131 -0.756 -4.811 1.00 23.15 H new ATOM 0 HB3 TYR A 2 -0.747 -2.257 -5.472 1.00 23.15 H new ATOM 0 HD1 TYR A 2 -2.229 -3.318 -3.088 1.00 31.44 H new ATOM 0 HD2 TYR A 2 -2.043 0.610 -4.725 1.00 41.12 H new ATOM 0 HE1 TYR A 2 -4.513 -2.802 -2.124 1.00 1.12 H new ATOM 0 HE2 TYR A 2 -4.328 1.115 -3.755 1.00 62.44 H new ATOM 0 HH TYR A 2 -5.988 0.369 -2.612 1.00 62.31 H new ATOM 32 N VAL A 3 0.994 -4.217 -5.125 1.00 24.51 N ATOM 33 CA VAL A 3 1.930 -4.960 -5.952 1.00 23.43 C ATOM 34 C VAL A 3 1.312 -5.192 -7.332 1.00 21.11 C ATOM 35 O VAL A 3 0.199 -5.649 -7.503 1.00 20.03 O ATOM 36 CB VAL A 3 2.331 -6.260 -5.250 1.00 52.13 C ATOM 37 CG1 VAL A 3 2.665 -7.352 -6.268 1.00 42.24 C ATOM 38 CG2 VAL A 3 3.500 -6.027 -4.291 1.00 62.34 C ATOM 0 H VAL A 3 0.039 -4.576 -5.133 1.00 24.51 H new ATOM 0 HA VAL A 3 2.847 -4.389 -6.098 1.00 23.43 H new ATOM 0 HB VAL A 3 1.479 -6.600 -4.662 1.00 52.13 H new ATOM 0 HG11 VAL A 3 2.947 -8.265 -5.743 1.00 42.24 H new ATOM 0 HG12 VAL A 3 1.793 -7.547 -6.892 1.00 42.24 H new ATOM 0 HG13 VAL A 3 3.494 -7.024 -6.895 1.00 42.24 H new ATOM 0 HG21 VAL A 3 3.765 -6.966 -3.805 1.00 62.34 H new ATOM 0 HG22 VAL A 3 4.358 -5.652 -4.848 1.00 62.34 H new ATOM 0 HG23 VAL A 3 3.211 -5.297 -3.535 1.00 62.34 H new ATOM 48 N ASP A 4 2.072 -4.861 -8.339 1.00 0.21 N ATOM 49 CA ASP A 4 1.586 -5.044 -9.736 1.00 22.14 C ATOM 50 C ASP A 4 2.098 -6.375 -10.297 1.00 55.35 C ATOM 51 O ASP A 4 3.215 -6.755 -9.950 1.00 53.24 O ATOM 52 CB ASP A 4 2.175 -3.869 -10.517 1.00 65.30 C ATOM 53 CG ASP A 4 1.759 -3.971 -11.985 1.00 53.21 C ATOM 54 OD1 ASP A 4 1.022 -4.888 -12.310 1.00 65.41 O ATOM 55 OD2 ASP A 4 2.183 -3.131 -12.762 1.00 1.22 O ATOM 0 H ASP A 4 3.011 -4.471 -8.255 1.00 0.21 H new ATOM 0 HA ASP A 4 0.498 -5.068 -9.799 1.00 22.14 H new ATOM 0 HB2 ASP A 4 1.827 -2.927 -10.094 1.00 65.30 H new ATOM 0 HB3 ASP A 4 3.262 -3.873 -10.435 1.00 65.30 H new ATOM 60 N THR A 5 1.301 -7.039 -11.122 1.00 23.41 N ATOM 61 CA THR A 5 1.710 -8.311 -11.694 1.00 33.23 C ATOM 62 C THR A 5 2.159 -8.124 -13.144 1.00 73.12 C ATOM 63 O THR A 5 2.313 -9.097 -13.881 1.00 21.25 O ATOM 64 CB THR A 5 0.547 -9.294 -11.539 1.00 43.04 C ATOM 65 OG1 THR A 5 -0.442 -8.806 -12.442 1.00 22.32 O ATOM 66 CG2 THR A 5 -0.122 -9.199 -10.167 1.00 4.14 C ATOM 0 H THR A 5 0.375 -6.720 -11.408 1.00 23.41 H new ATOM 0 HA THR A 5 2.574 -8.721 -11.170 1.00 33.23 H new ATOM 0 HB THR A 5 0.908 -10.310 -11.697 1.00 43.04 H new ATOM 0 HG1 THR A 5 -1.231 -9.386 -12.407 1.00 22.32 H new ATOM 0 HG21 THR A 5 -0.940 -9.917 -10.110 1.00 4.14 H new ATOM 0 HG22 THR A 5 0.609 -9.420 -9.390 1.00 4.14 H new ATOM 0 HG23 THR A 5 -0.513 -8.192 -10.022 1.00 4.14 H new ATOM 74 N ASN A 6 2.356 -6.866 -13.512 1.00 34.45 N ATOM 75 CA ASN A 6 2.784 -6.539 -14.861 1.00 32.11 C ATOM 76 C ASN A 6 4.212 -5.992 -14.820 1.00 22.35 C ATOM 77 O ASN A 6 4.979 -6.178 -15.763 1.00 25.43 O ATOM 78 CB ASN A 6 1.885 -5.467 -15.479 1.00 52.31 C ATOM 79 CG ASN A 6 0.416 -5.714 -15.130 1.00 30.41 C ATOM 80 OD1 ASN A 6 0.089 -7.001 -15.049 1.00 33.15 O flip ATOM 81 ND2 ASN A 6 -0.368 -4.798 -14.946 1.00 54.15 N flip ATOM 0 H ASN A 6 2.227 -6.061 -12.899 1.00 34.45 H new ATOM 0 HA ASN A 6 2.728 -7.447 -15.462 1.00 32.11 H new ATOM 0 HB2 ASN A 6 2.187 -4.483 -15.120 1.00 52.31 H new ATOM 0 HB3 ASN A 6 2.009 -5.463 -16.562 1.00 52.31 H new ATOM 0 HD21 ASN A 6 -0.051 -3.832 -15.024 1.00 54.15 H new ATOM 0 HD22 ASN A 6 -1.341 -4.998 -14.714 1.00 54.15 H new ATOM 88 N ASN A 7 4.526 -5.329 -13.717 1.00 11.35 N ATOM 89 CA ASN A 7 5.849 -4.754 -13.540 1.00 14.42 C ATOM 90 C ASN A 7 5.938 -3.442 -14.322 1.00 1.53 C ATOM 91 O ASN A 7 7.008 -3.075 -14.806 1.00 32.02 O ATOM 92 CB ASN A 7 6.933 -5.694 -14.069 1.00 22.13 C ATOM 93 CG ASN A 7 8.267 -5.445 -13.362 1.00 43.23 C ATOM 94 OD1 ASN A 7 9.243 -5.015 -13.956 1.00 13.32 O ATOM 95 ND2 ASN A 7 8.256 -5.738 -12.065 1.00 54.02 N ATOM 0 H ASN A 7 3.887 -5.177 -12.937 1.00 11.35 H new ATOM 0 HA ASN A 7 6.005 -4.588 -12.474 1.00 14.42 H new ATOM 0 HB2 ASN A 7 6.626 -6.729 -13.920 1.00 22.13 H new ATOM 0 HB3 ASN A 7 7.053 -5.548 -15.143 1.00 22.13 H new ATOM 0 HD21 ASN A 7 9.098 -5.606 -11.505 1.00 54.02 H new ATOM 0 HD22 ASN A 7 7.405 -6.094 -11.630 1.00 54.02 H new ATOM 102 N ASP A 8 4.800 -2.770 -14.421 1.00 23.12 N ATOM 103 CA ASP A 8 4.737 -1.507 -15.136 1.00 13.44 C ATOM 104 C ASP A 8 4.799 -0.354 -14.132 1.00 1.24 C ATOM 105 O ASP A 8 4.991 0.799 -14.516 1.00 32.14 O ATOM 106 CB ASP A 8 3.428 -1.382 -15.918 1.00 51.30 C ATOM 107 CG ASP A 8 2.238 -0.863 -15.109 1.00 34.24 C ATOM 108 OD1 ASP A 8 2.096 0.377 -15.039 1.00 34.31 O ATOM 109 OD2 ASP A 8 1.496 -1.719 -14.578 1.00 5.52 O ATOM 0 H ASP A 8 3.915 -3.077 -14.018 1.00 23.12 H new ATOM 0 HA ASP A 8 5.577 -1.470 -15.830 1.00 13.44 H new ATOM 0 HB2 ASP A 8 3.591 -0.715 -16.765 1.00 51.30 H new ATOM 0 HB3 ASP A 8 3.172 -2.360 -16.326 1.00 51.30 H new ATOM 114 N GLY A 9 4.634 -0.705 -12.865 1.00 33.12 N ATOM 115 CA GLY A 9 4.669 0.286 -11.803 1.00 32.13 C ATOM 116 C GLY A 9 3.324 1.005 -11.679 1.00 41.33 C ATOM 117 O GLY A 9 3.279 2.200 -11.390 1.00 45.13 O ATOM 0 H GLY A 9 4.476 -1.662 -12.550 1.00 33.12 H new ATOM 0 HA2 GLY A 9 4.915 -0.197 -10.858 1.00 32.13 H new ATOM 0 HA3 GLY A 9 5.456 1.012 -12.004 1.00 32.13 H new ATOM 121 N ALA A 10 2.261 0.247 -11.904 1.00 51.44 N ATOM 122 CA ALA A 10 0.919 0.798 -11.822 1.00 74.30 C ATOM 123 C ALA A 10 -0.030 -0.264 -11.262 1.00 62.41 C ATOM 124 O ALA A 10 -0.065 -1.391 -11.753 1.00 63.54 O ATOM 125 CB ALA A 10 0.486 1.297 -13.202 1.00 33.20 C ATOM 0 H ALA A 10 2.302 -0.744 -12.143 1.00 51.44 H new ATOM 0 HA ALA A 10 0.896 1.652 -11.145 1.00 74.30 H new ATOM 0 HB1 ALA A 10 -0.521 1.710 -13.140 1.00 33.20 H new ATOM 0 HB2 ALA A 10 1.175 2.070 -13.542 1.00 33.20 H new ATOM 0 HB3 ALA A 10 0.495 0.467 -13.908 1.00 33.20 H new ATOM 131 N TYR A 11 -0.776 0.133 -10.242 1.00 3.02 N ATOM 132 CA TYR A 11 -1.722 -0.771 -9.610 1.00 0.41 C ATOM 133 C TYR A 11 -3.128 -0.582 -10.184 1.00 65.44 C ATOM 134 O TYR A 11 -3.739 0.470 -10.006 1.00 31.20 O ATOM 135 CB TYR A 11 -1.736 -0.396 -8.126 1.00 70.54 C ATOM 136 CG TYR A 11 -0.370 -0.503 -7.445 1.00 35.21 C ATOM 137 CD1 TYR A 11 0.364 -1.667 -7.549 1.00 71.22 C ATOM 138 CD2 TYR A 11 0.127 0.564 -6.726 1.00 1.43 C ATOM 139 CE1 TYR A 11 1.649 -1.768 -6.908 1.00 2.43 C ATOM 140 CE2 TYR A 11 1.412 0.464 -6.084 1.00 64.02 C ATOM 141 CZ TYR A 11 2.110 -0.697 -6.207 1.00 20.11 C ATOM 142 OH TYR A 11 3.324 -0.792 -5.601 1.00 51.10 O ATOM 0 H TYR A 11 -0.745 1.069 -9.837 1.00 3.02 H new ATOM 0 HA TYR A 11 -1.432 -1.808 -9.777 1.00 0.41 H new ATOM 0 HB2 TYR A 11 -2.103 0.625 -8.023 1.00 70.54 H new ATOM 0 HB3 TYR A 11 -2.442 -1.042 -7.605 1.00 70.54 H new ATOM 0 HD1 TYR A 11 -0.026 -2.502 -8.112 1.00 71.22 H new ATOM 0 HD2 TYR A 11 -0.448 1.475 -6.645 1.00 1.43 H new ATOM 0 HE1 TYR A 11 2.234 -2.673 -6.982 1.00 2.43 H new ATOM 0 HE2 TYR A 11 1.812 1.292 -5.518 1.00 64.02 H new ATOM 0 HH TYR A 11 3.218 -1.204 -4.718 1.00 51.10 H new ATOM 152 N GLU A 12 -3.599 -1.619 -10.862 1.00 43.44 N ATOM 153 CA GLU A 12 -4.921 -1.581 -11.464 1.00 43.42 C ATOM 154 C GLU A 12 -5.486 -2.996 -11.593 1.00 33.42 C ATOM 155 O GLU A 12 -4.905 -3.842 -12.271 1.00 5.22 O ATOM 156 CB GLU A 12 -4.884 -0.879 -12.823 1.00 74.25 C ATOM 157 CG GLU A 12 -4.305 -1.799 -13.900 1.00 20.31 C ATOM 158 CD GLU A 12 -2.939 -2.345 -13.478 1.00 13.02 C ATOM 159 OE1 GLU A 12 -2.164 -1.551 -12.902 1.00 51.15 O ATOM 160 OE2 GLU A 12 -2.702 -3.544 -13.740 1.00 4.13 O ATOM 0 H GLU A 12 -3.089 -2.490 -11.008 1.00 43.44 H new ATOM 0 HA GLU A 12 -5.579 -1.006 -10.813 1.00 43.42 H new ATOM 0 HB2 GLU A 12 -5.891 -0.572 -13.105 1.00 74.25 H new ATOM 0 HB3 GLU A 12 -4.282 0.027 -12.752 1.00 74.25 H new ATOM 0 HG2 GLU A 12 -4.990 -2.626 -14.084 1.00 20.31 H new ATOM 0 HG3 GLU A 12 -4.208 -1.251 -14.837 1.00 20.31 H new ATOM 167 N GLY A 13 -6.614 -3.211 -10.931 1.00 22.20 N ATOM 168 CA GLY A 13 -7.264 -4.510 -10.963 1.00 34.03 C ATOM 169 C GLY A 13 -7.072 -5.252 -9.639 1.00 32.15 C ATOM 170 O GLY A 13 -7.389 -4.723 -8.574 1.00 52.45 O ATOM 0 H GLY A 13 -7.094 -2.507 -10.370 1.00 22.20 H new ATOM 0 HA2 GLY A 13 -8.328 -4.383 -11.162 1.00 34.03 H new ATOM 0 HA3 GLY A 13 -6.856 -5.105 -11.780 1.00 34.03 H new ATOM 174 N ASP A 14 -6.554 -6.467 -9.747 1.00 41.53 N ATOM 175 CA ASP A 14 -6.316 -7.287 -8.572 1.00 3.32 C ATOM 176 C ASP A 14 -5.031 -6.821 -7.882 1.00 75.44 C ATOM 177 O ASP A 14 -4.773 -7.182 -6.735 1.00 63.33 O ATOM 178 CB ASP A 14 -6.141 -8.758 -8.953 1.00 33.11 C ATOM 179 CG ASP A 14 -7.435 -9.574 -8.989 1.00 22.53 C ATOM 180 OD1 ASP A 14 -8.161 -9.664 -7.988 1.00 15.10 O ATOM 181 OD2 ASP A 14 -7.690 -10.142 -10.119 1.00 11.13 O ATOM 0 H ASP A 14 -6.292 -6.903 -10.631 1.00 41.53 H new ATOM 0 HA ASP A 14 -7.176 -7.186 -7.910 1.00 3.32 H new ATOM 0 HB2 ASP A 14 -5.669 -8.810 -9.934 1.00 33.11 H new ATOM 0 HB3 ASP A 14 -5.456 -9.223 -8.244 1.00 33.11 H new ATOM 187 N GLU A 15 -4.261 -6.027 -8.611 1.00 30.20 N ATOM 188 CA GLU A 15 -3.010 -5.509 -8.084 1.00 11.20 C ATOM 189 C GLU A 15 -3.264 -4.709 -6.805 1.00 0.51 C ATOM 190 O GLU A 15 -2.334 -4.422 -6.053 1.00 43.51 O ATOM 191 CB GLU A 15 -2.286 -4.657 -9.129 1.00 21.53 C ATOM 192 CG GLU A 15 -1.928 -5.490 -10.362 1.00 0.42 C ATOM 193 CD GLU A 15 -1.574 -4.589 -11.547 1.00 72.11 C ATOM 194 OE1 GLU A 15 -1.554 -3.357 -11.337 1.00 42.04 O ATOM 195 OE2 GLU A 15 -1.332 -5.153 -12.636 1.00 21.21 O ATOM 0 H GLU A 15 -4.479 -5.730 -9.562 1.00 30.20 H new ATOM 0 HA GLU A 15 -2.364 -6.352 -7.840 1.00 11.20 H new ATOM 0 HB2 GLU A 15 -2.919 -3.819 -9.423 1.00 21.53 H new ATOM 0 HB3 GLU A 15 -1.380 -4.235 -8.695 1.00 21.53 H new ATOM 0 HG2 GLU A 15 -1.086 -6.143 -10.132 1.00 0.42 H new ATOM 0 HG3 GLU A 15 -2.767 -6.133 -10.627 1.00 0.42 H new ATOM 202 N LEU A 16 -4.528 -4.371 -6.597 1.00 52.23 N ATOM 203 CA LEU A 16 -4.916 -3.609 -5.422 1.00 72.32 C ATOM 204 C LEU A 16 -5.621 -4.536 -4.430 1.00 15.45 C ATOM 205 O LEU A 16 -6.640 -4.167 -3.847 1.00 2.45 O ATOM 206 CB LEU A 16 -5.749 -2.390 -5.825 1.00 20.55 C ATOM 207 CG LEU A 16 -5.339 -1.698 -7.126 1.00 2.34 C ATOM 208 CD1 LEU A 16 -6.381 -1.928 -8.221 1.00 54.44 C ATOM 209 CD2 LEU A 16 -5.070 -0.210 -6.893 1.00 50.53 C ATOM 0 H LEU A 16 -5.297 -4.611 -7.223 1.00 52.23 H new ATOM 0 HA LEU A 16 -4.036 -3.211 -4.917 1.00 72.32 H new ATOM 0 HB2 LEU A 16 -6.790 -2.700 -5.914 1.00 20.55 H new ATOM 0 HB3 LEU A 16 -5.702 -1.659 -5.018 1.00 20.55 H new ATOM 0 HG LEU A 16 -4.406 -2.144 -7.472 1.00 2.34 H new ATOM 0 HD11 LEU A 16 -6.065 -1.425 -9.135 1.00 54.44 H new ATOM 0 HD12 LEU A 16 -6.480 -2.997 -8.410 1.00 54.44 H new ATOM 0 HD13 LEU A 16 -7.342 -1.526 -7.899 1.00 54.44 H new ATOM 0 HD21 LEU A 16 -4.780 0.259 -7.833 1.00 50.53 H new ATOM 0 HD22 LEU A 16 -5.973 0.268 -6.512 1.00 50.53 H new ATOM 0 HD23 LEU A 16 -4.265 -0.095 -6.167 1.00 50.53 H new ATOM 221 N SER A 17 -5.052 -5.721 -4.268 1.00 0.21 N ATOM 222 CA SER A 17 -5.613 -6.703 -3.356 1.00 14.22 C ATOM 223 C SER A 17 -5.033 -6.507 -1.954 1.00 1.22 C ATOM 224 O SER A 17 -5.632 -6.927 -0.965 1.00 75.04 O ATOM 225 CB SER A 17 -5.346 -8.127 -3.847 1.00 3.22 C ATOM 226 OG SER A 17 -5.777 -9.106 -2.905 1.00 45.02 O ATOM 0 H SER A 17 -4.207 -6.024 -4.753 1.00 0.21 H new ATOM 0 HA SER A 17 -6.693 -6.557 -3.319 1.00 14.22 H new ATOM 0 HB2 SER A 17 -5.859 -8.286 -4.795 1.00 3.22 H new ATOM 0 HB3 SER A 17 -4.280 -8.251 -4.037 1.00 3.22 H new ATOM 0 HG SER A 17 -5.591 -10.002 -3.256 1.00 45.02 H new ATOM 232 N GLY A 18 -3.873 -5.868 -1.912 1.00 62.24 N ATOM 233 CA GLY A 18 -3.205 -5.611 -0.648 1.00 24.30 C ATOM 234 C GLY A 18 -1.859 -6.337 -0.581 1.00 52.15 C ATOM 235 O GLY A 18 -1.789 -7.544 -0.809 1.00 2.33 O ATOM 0 H GLY A 18 -3.379 -5.521 -2.734 1.00 62.24 H new ATOM 0 HA2 GLY A 18 -3.050 -4.539 -0.526 1.00 24.30 H new ATOM 0 HA3 GLY A 18 -3.840 -5.938 0.176 1.00 24.30 H new ATOM 239 N THR A 19 -0.825 -5.571 -0.269 1.00 4.41 N ATOM 240 CA THR A 19 0.515 -6.125 -0.170 1.00 33.44 C ATOM 241 C THR A 19 1.245 -5.543 1.042 1.00 13.03 C ATOM 242 O THR A 19 0.813 -4.540 1.608 1.00 2.23 O ATOM 243 CB THR A 19 1.234 -5.865 -1.495 1.00 33.22 C ATOM 244 OG1 THR A 19 0.206 -5.980 -2.476 1.00 23.15 O ATOM 245 CG2 THR A 19 2.219 -6.979 -1.855 1.00 71.11 C ATOM 0 H THR A 19 -0.888 -4.570 -0.081 1.00 4.41 H new ATOM 0 HA THR A 19 0.486 -7.202 -0.006 1.00 33.44 H new ATOM 0 HB THR A 19 1.765 -4.915 -1.439 1.00 33.22 H new ATOM 0 HG1 THR A 19 0.253 -6.864 -2.897 1.00 23.15 H new ATOM 0 HG21 THR A 19 2.702 -6.745 -2.804 1.00 71.11 H new ATOM 0 HG22 THR A 19 2.975 -7.063 -1.074 1.00 71.11 H new ATOM 0 HG23 THR A 19 1.683 -7.924 -1.944 1.00 71.11 H new ATOM 253 N MET A 20 2.338 -6.197 1.405 1.00 62.32 N ATOM 254 CA MET A 20 3.132 -5.757 2.539 1.00 3.03 C ATOM 255 C MET A 20 4.483 -5.202 2.081 1.00 15.01 C ATOM 256 O MET A 20 5.212 -5.864 1.345 1.00 41.15 O ATOM 257 CB MET A 20 3.360 -6.933 3.491 1.00 70.45 C ATOM 258 CG MET A 20 2.036 -7.430 4.075 1.00 70.34 C ATOM 259 SD MET A 20 2.347 -8.631 5.358 1.00 63.20 S ATOM 260 CE MET A 20 0.924 -8.349 6.398 1.00 24.41 C ATOM 0 H MET A 20 2.693 -7.029 0.933 1.00 62.32 H new ATOM 0 HA MET A 20 2.589 -4.963 3.052 1.00 3.03 H new ATOM 0 HB2 MET A 20 3.855 -7.746 2.959 1.00 70.45 H new ATOM 0 HB3 MET A 20 4.026 -6.628 4.298 1.00 70.45 H new ATOM 0 HG2 MET A 20 1.470 -6.591 4.480 1.00 70.34 H new ATOM 0 HG3 MET A 20 1.427 -7.875 3.289 1.00 70.34 H new ATOM 0 HE1 MET A 20 0.960 -9.022 7.254 1.00 24.41 H new ATOM 0 HE2 MET A 20 0.928 -7.317 6.748 1.00 24.41 H new ATOM 0 HE3 MET A 20 0.014 -8.536 5.828 1.00 24.41 H new ATOM 270 N GLU A 21 4.774 -3.992 2.536 1.00 22.31 N ATOM 271 CA GLU A 21 6.024 -3.341 2.182 1.00 12.21 C ATOM 272 C GLU A 21 7.081 -3.602 3.257 1.00 44.44 C ATOM 273 O GLU A 21 6.766 -3.651 4.444 1.00 14.33 O ATOM 274 CB GLU A 21 5.818 -1.840 1.968 1.00 2.11 C ATOM 275 CG GLU A 21 7.142 -1.082 2.091 1.00 72.23 C ATOM 276 CD GLU A 21 7.449 -0.749 3.552 1.00 4.10 C ATOM 277 OE1 GLU A 21 8.626 -0.681 3.938 1.00 32.20 O ATOM 278 OE2 GLU A 21 6.414 -0.556 4.297 1.00 50.22 O ATOM 0 H GLU A 21 4.166 -3.446 3.146 1.00 22.31 H new ATOM 0 HA GLU A 21 6.378 -3.764 1.242 1.00 12.21 H new ATOM 0 HB2 GLU A 21 5.385 -1.665 0.983 1.00 2.11 H new ATOM 0 HB3 GLU A 21 5.107 -1.459 2.701 1.00 2.11 H new ATOM 0 HG2 GLU A 21 7.950 -1.683 1.674 1.00 72.23 H new ATOM 0 HG3 GLU A 21 7.095 -0.163 1.507 1.00 72.23 H new ATOM 286 N TYR A 22 8.315 -3.762 2.801 1.00 40.02 N ATOM 287 CA TYR A 22 9.421 -4.017 3.708 1.00 10.52 C ATOM 288 C TYR A 22 10.653 -3.200 3.313 1.00 24.33 C ATOM 289 O TYR A 22 10.862 -2.916 2.135 1.00 2.50 O ATOM 290 CB TYR A 22 9.745 -5.506 3.571 1.00 12.51 C ATOM 291 CG TYR A 22 8.532 -6.424 3.737 1.00 5.23 C ATOM 292 CD1 TYR A 22 7.769 -6.765 2.639 1.00 25.11 C ATOM 293 CD2 TYR A 22 8.202 -6.911 4.986 1.00 72.14 C ATOM 294 CE1 TYR A 22 6.628 -7.629 2.796 1.00 64.44 C ATOM 295 CE2 TYR A 22 7.061 -7.775 5.142 1.00 33.41 C ATOM 296 CZ TYR A 22 6.330 -8.092 4.039 1.00 3.14 C ATOM 297 OH TYR A 22 5.253 -8.908 4.187 1.00 33.22 O ATOM 0 H TYR A 22 8.573 -3.720 1.815 1.00 40.02 H new ATOM 0 HA TYR A 22 9.153 -3.740 4.728 1.00 10.52 H new ATOM 0 HB2 TYR A 22 10.190 -5.682 2.592 1.00 12.51 H new ATOM 0 HB3 TYR A 22 10.495 -5.774 4.315 1.00 12.51 H new ATOM 0 HD1 TYR A 22 8.028 -6.384 1.662 1.00 25.11 H new ATOM 0 HD2 TYR A 22 8.799 -6.644 5.845 1.00 72.14 H new ATOM 0 HE1 TYR A 22 6.022 -7.903 1.945 1.00 64.44 H new ATOM 0 HE2 TYR A 22 6.791 -8.163 6.113 1.00 33.41 H new ATOM 0 HH TYR A 22 4.776 -8.674 5.011 1.00 33.22 H new ATOM 307 N LYS A 23 11.437 -2.847 4.321 1.00 4.11 N ATOM 308 CA LYS A 23 12.644 -2.069 4.094 1.00 75.01 C ATOM 309 C LYS A 23 13.862 -2.991 4.171 1.00 70.21 C ATOM 310 O LYS A 23 14.156 -3.550 5.226 1.00 3.14 O ATOM 311 CB LYS A 23 12.707 -0.884 5.060 1.00 71.21 C ATOM 312 CG LYS A 23 14.073 -0.198 4.997 1.00 21.23 C ATOM 313 CD LYS A 23 14.069 0.940 3.975 1.00 53.11 C ATOM 314 CE LYS A 23 14.957 2.097 4.438 1.00 31.52 C ATOM 315 NZ LYS A 23 14.969 3.178 3.428 1.00 71.23 N ATOM 0 H LYS A 23 11.260 -3.085 5.297 1.00 4.11 H new ATOM 0 HA LYS A 23 12.635 -1.635 3.094 1.00 75.01 H new ATOM 0 HB2 LYS A 23 11.924 -0.167 4.813 1.00 71.21 H new ATOM 0 HB3 LYS A 23 12.515 -1.228 6.076 1.00 71.21 H new ATOM 0 HG2 LYS A 23 14.333 0.193 5.981 1.00 21.23 H new ATOM 0 HG3 LYS A 23 14.838 -0.927 4.731 1.00 21.23 H new ATOM 0 HD2 LYS A 23 14.421 0.570 3.012 1.00 53.11 H new ATOM 0 HD3 LYS A 23 13.050 1.296 3.826 1.00 53.11 H new ATOM 0 HE2 LYS A 23 14.593 2.484 5.389 1.00 31.52 H new ATOM 0 HE3 LYS A 23 15.972 1.739 4.608 1.00 31.52 H new ATOM 0 HZ1 LYS A 23 15.919 3.598 3.381 1.00 71.23 H new ATOM 0 HZ2 LYS A 23 14.717 2.787 2.498 1.00 71.23 H new ATOM 0 HZ3 LYS A 23 14.280 3.910 3.694 1.00 71.23 H new ATOM 328 N LEU A 24 14.538 -3.122 3.039 1.00 54.13 N ATOM 329 CA LEU A 24 15.718 -3.967 2.965 1.00 55.33 C ATOM 330 C LEU A 24 16.969 -3.102 3.125 1.00 5.00 C ATOM 331 O LEU A 24 17.270 -2.273 2.267 1.00 31.22 O ATOM 332 CB LEU A 24 15.703 -4.796 1.679 1.00 42.53 C ATOM 333 CG LEU A 24 16.935 -5.669 1.430 1.00 53.44 C ATOM 334 CD1 LEU A 24 17.983 -4.916 0.608 1.00 61.22 C ATOM 335 CD2 LEU A 24 17.509 -6.195 2.746 1.00 33.54 C ATOM 0 H LEU A 24 14.291 -2.657 2.165 1.00 54.13 H new ATOM 0 HA LEU A 24 15.722 -4.689 3.782 1.00 55.33 H new ATOM 0 HB2 LEU A 24 14.823 -5.439 1.695 1.00 42.53 H new ATOM 0 HB3 LEU A 24 15.586 -4.117 0.834 1.00 42.53 H new ATOM 0 HG LEU A 24 16.627 -6.535 0.844 1.00 53.44 H new ATOM 0 HD11 LEU A 24 18.848 -5.559 0.445 1.00 61.22 H new ATOM 0 HD12 LEU A 24 17.556 -4.632 -0.354 1.00 61.22 H new ATOM 0 HD13 LEU A 24 18.293 -4.020 1.146 1.00 61.22 H new ATOM 0 HD21 LEU A 24 18.384 -6.812 2.541 1.00 33.54 H new ATOM 0 HD22 LEU A 24 17.798 -5.355 3.378 1.00 33.54 H new ATOM 0 HD23 LEU A 24 16.755 -6.793 3.259 1.00 33.54 H new ATOM 347 N ILE A 25 17.666 -3.325 4.230 1.00 41.22 N ATOM 348 CA ILE A 25 18.879 -2.576 4.514 1.00 73.34 C ATOM 349 C ILE A 25 20.082 -3.519 4.449 1.00 32.33 C ATOM 350 O ILE A 25 20.112 -4.541 5.134 1.00 53.21 O ATOM 351 CB ILE A 25 18.750 -1.833 5.845 1.00 64.02 C ATOM 352 CG1 ILE A 25 17.586 -0.841 5.809 1.00 43.32 C ATOM 353 CG2 ILE A 25 20.069 -1.156 6.224 1.00 21.12 C ATOM 354 CD1 ILE A 25 16.891 -0.762 7.169 1.00 12.23 C ATOM 0 H ILE A 25 17.414 -4.014 4.939 1.00 41.22 H new ATOM 0 HA ILE A 25 19.037 -1.805 3.760 1.00 73.34 H new ATOM 0 HB ILE A 25 18.527 -2.562 6.624 1.00 64.02 H new ATOM 0 HG12 ILE A 25 17.953 0.146 5.526 1.00 43.32 H new ATOM 0 HG13 ILE A 25 16.868 -1.145 5.047 1.00 43.32 H new ATOM 0 HG21 ILE A 25 19.951 -0.635 7.174 1.00 21.12 H new ATOM 0 HG22 ILE A 25 20.851 -1.910 6.319 1.00 21.12 H new ATOM 0 HG23 ILE A 25 20.346 -0.441 5.450 1.00 21.12 H new ATOM 0 HD11 ILE A 25 16.067 -0.050 7.116 1.00 12.23 H new ATOM 0 HD12 ILE A 25 16.504 -1.745 7.437 1.00 12.23 H new ATOM 0 HD13 ILE A 25 17.606 -0.435 7.924 1.00 12.23 H new ATOM 366 N LEU A 26 21.044 -3.143 3.620 1.00 25.04 N ATOM 367 CA LEU A 26 22.247 -3.942 3.458 1.00 71.52 C ATOM 368 C LEU A 26 23.452 -3.154 3.975 1.00 31.53 C ATOM 369 O LEU A 26 23.852 -2.159 3.374 1.00 60.04 O ATOM 370 CB LEU A 26 22.391 -4.404 2.006 1.00 2.12 C ATOM 371 CG LEU A 26 21.090 -4.756 1.282 1.00 63.41 C ATOM 372 CD1 LEU A 26 20.530 -3.542 0.539 1.00 11.13 C ATOM 373 CD2 LEU A 26 21.288 -5.956 0.353 1.00 52.45 C ATOM 0 H LEU A 26 21.015 -2.296 3.053 1.00 25.04 H new ATOM 0 HA LEU A 26 22.183 -4.853 4.054 1.00 71.52 H new ATOM 0 HB2 LEU A 26 22.895 -3.618 1.444 1.00 2.12 H new ATOM 0 HB3 LEU A 26 23.042 -5.278 1.986 1.00 2.12 H new ATOM 0 HG LEU A 26 20.350 -5.045 2.029 1.00 63.41 H new ATOM 0 HD11 LEU A 26 19.605 -3.820 0.033 1.00 11.13 H new ATOM 0 HD12 LEU A 26 20.328 -2.741 1.250 1.00 11.13 H new ATOM 0 HD13 LEU A 26 21.257 -3.199 -0.197 1.00 11.13 H new ATOM 0 HD21 LEU A 26 20.349 -6.186 -0.150 1.00 52.45 H new ATOM 0 HD22 LEU A 26 22.049 -5.719 -0.391 1.00 52.45 H new ATOM 0 HD23 LEU A 26 21.608 -6.819 0.937 1.00 52.45 H new ATOM 385 N ASN A 27 23.997 -3.630 5.086 1.00 53.44 N ATOM 386 CA ASN A 27 25.148 -2.982 5.691 1.00 50.10 C ATOM 387 C ASN A 27 26.405 -3.802 5.392 1.00 53.31 C ATOM 388 O ASN A 27 26.661 -4.813 6.044 1.00 14.54 O ATOM 389 CB ASN A 27 24.993 -2.891 7.210 1.00 22.13 C ATOM 390 CG ASN A 27 24.459 -1.519 7.626 1.00 34.10 C ATOM 391 OD1 ASN A 27 24.981 -0.482 7.253 1.00 54.44 O ATOM 392 ND2 ASN A 27 23.391 -1.572 8.418 1.00 44.31 N ATOM 0 H ASN A 27 23.663 -4.456 5.582 1.00 53.44 H new ATOM 0 HA ASN A 27 25.227 -1.977 5.276 1.00 50.10 H new ATOM 0 HB2 ASN A 27 24.314 -3.670 7.557 1.00 22.13 H new ATOM 0 HB3 ASN A 27 25.956 -3.071 7.689 1.00 22.13 H new ATOM 0 HD21 ASN A 27 22.959 -0.710 8.750 1.00 44.31 H new ATOM 0 HD22 ASN A 27 23.004 -2.475 8.693 1.00 44.31 H new ATOM 399 N GLY A 28 27.156 -3.336 4.405 1.00 54.51 N ATOM 400 CA GLY A 28 28.379 -4.013 4.011 1.00 4.04 C ATOM 401 C GLY A 28 29.529 -3.017 3.846 1.00 11.35 C ATOM 402 O GLY A 28 29.301 -1.844 3.554 1.00 3.23 O ATOM 0 H GLY A 28 26.941 -2.497 3.866 1.00 54.51 H new ATOM 0 HA2 GLY A 28 28.644 -4.759 4.761 1.00 4.04 H new ATOM 0 HA3 GLY A 28 28.218 -4.546 3.074 1.00 4.04 H new ATOM 406 N LYS A 29 30.739 -3.521 4.041 1.00 53.50 N ATOM 407 CA LYS A 29 31.924 -2.689 3.917 1.00 22.55 C ATOM 408 C LYS A 29 32.133 -2.322 2.447 1.00 63.20 C ATOM 409 O LYS A 29 32.560 -1.211 2.136 1.00 72.35 O ATOM 410 CB LYS A 29 33.131 -3.379 4.557 1.00 61.33 C ATOM 411 CG LYS A 29 32.773 -3.950 5.930 1.00 15.45 C ATOM 412 CD LYS A 29 32.152 -2.875 6.825 1.00 15.02 C ATOM 413 CE LYS A 29 30.624 -2.929 6.767 1.00 34.23 C ATOM 414 NZ LYS A 29 30.044 -2.630 8.096 1.00 53.33 N ATOM 0 H LYS A 29 30.924 -4.494 4.284 1.00 53.50 H new ATOM 0 HA LYS A 29 31.793 -1.755 4.463 1.00 22.55 H new ATOM 0 HB2 LYS A 29 33.483 -4.180 3.907 1.00 61.33 H new ATOM 0 HB3 LYS A 29 33.950 -2.667 4.658 1.00 61.33 H new ATOM 0 HG2 LYS A 29 32.075 -4.779 5.813 1.00 15.45 H new ATOM 0 HG3 LYS A 29 33.668 -4.352 6.405 1.00 15.45 H new ATOM 0 HD2 LYS A 29 32.486 -3.015 7.853 1.00 15.02 H new ATOM 0 HD3 LYS A 29 32.497 -1.890 6.510 1.00 15.02 H new ATOM 0 HE2 LYS A 29 30.256 -2.211 6.033 1.00 34.23 H new ATOM 0 HE3 LYS A 29 30.301 -3.916 6.437 1.00 34.23 H new ATOM 0 HZ1 LYS A 29 29.006 -2.671 8.039 1.00 53.33 H new ATOM 0 HZ2 LYS A 29 30.381 -3.330 8.787 1.00 53.33 H new ATOM 0 HZ3 LYS A 29 30.337 -1.678 8.397 1.00 53.33 H new ATOM 427 N THR A 30 31.823 -3.277 1.582 1.00 44.30 N ATOM 428 CA THR A 30 31.972 -3.068 0.152 1.00 41.43 C ATOM 429 C THR A 30 30.613 -2.782 -0.490 1.00 34.44 C ATOM 430 O THR A 30 30.540 -2.167 -1.552 1.00 64.33 O ATOM 431 CB THR A 30 32.675 -4.293 -0.435 1.00 25.23 C ATOM 432 OG1 THR A 30 31.656 -5.287 -0.486 1.00 73.13 O ATOM 433 CG2 THR A 30 33.720 -4.880 0.517 1.00 31.10 C ATOM 0 H THR A 30 31.469 -4.197 1.844 1.00 44.30 H new ATOM 0 HA THR A 30 32.586 -2.192 -0.057 1.00 41.43 H new ATOM 0 HB THR A 30 33.153 -4.021 -1.376 1.00 25.23 H new ATOM 0 HG1 THR A 30 32.026 -6.116 -0.857 1.00 73.13 H new ATOM 0 HG21 THR A 30 34.189 -5.747 0.052 1.00 31.10 H new ATOM 0 HG22 THR A 30 34.479 -4.128 0.732 1.00 31.10 H new ATOM 0 HG23 THR A 30 33.237 -5.183 1.446 1.00 31.10 H new ATOM 441 N LEU A 31 29.568 -3.243 0.183 1.00 25.23 N ATOM 442 CA LEU A 31 28.215 -3.045 -0.308 1.00 22.44 C ATOM 443 C LEU A 31 27.343 -2.495 0.822 1.00 11.33 C ATOM 444 O LEU A 31 26.960 -3.230 1.731 1.00 72.45 O ATOM 445 CB LEU A 31 27.676 -4.336 -0.927 1.00 61.15 C ATOM 446 CG LEU A 31 26.796 -4.168 -2.168 1.00 65.01 C ATOM 447 CD1 LEU A 31 25.493 -3.446 -1.822 1.00 34.41 C ATOM 448 CD2 LEU A 31 27.561 -3.464 -3.291 1.00 12.42 C ATOM 0 H LEU A 31 29.632 -3.753 1.064 1.00 25.23 H new ATOM 0 HA LEU A 31 28.204 -2.306 -1.109 1.00 22.44 H new ATOM 0 HB2 LEU A 31 28.522 -4.971 -1.189 1.00 61.15 H new ATOM 0 HB3 LEU A 31 27.102 -4.868 -0.168 1.00 61.15 H new ATOM 0 HG LEU A 31 26.527 -5.159 -2.533 1.00 65.01 H new ATOM 0 HD11 LEU A 31 24.886 -3.340 -2.721 1.00 34.41 H new ATOM 0 HD12 LEU A 31 24.943 -4.024 -1.079 1.00 34.41 H new ATOM 0 HD13 LEU A 31 25.720 -2.459 -1.419 1.00 34.41 H new ATOM 0 HD21 LEU A 31 26.913 -3.357 -4.161 1.00 12.42 H new ATOM 0 HD22 LEU A 31 27.879 -2.478 -2.952 1.00 12.42 H new ATOM 0 HD23 LEU A 31 28.436 -4.055 -3.561 1.00 12.42 H new ATOM 460 N LYS A 32 27.054 -1.205 0.729 1.00 4.11 N ATOM 461 CA LYS A 32 26.234 -0.547 1.732 1.00 24.12 C ATOM 462 C LYS A 32 25.183 0.320 1.037 1.00 72.34 C ATOM 463 O LYS A 32 25.522 1.191 0.237 1.00 15.24 O ATOM 464 CB LYS A 32 27.112 0.225 2.720 1.00 60.53 C ATOM 465 CG LYS A 32 28.376 0.749 2.036 1.00 41.32 C ATOM 466 CD LYS A 32 29.332 1.374 3.055 1.00 73.25 C ATOM 467 CE LYS A 32 29.244 2.901 3.024 1.00 61.11 C ATOM 468 NZ LYS A 32 28.269 3.384 4.027 1.00 51.32 N ATOM 0 H LYS A 32 27.373 -0.598 -0.026 1.00 4.11 H new ATOM 0 HA LYS A 32 25.696 -1.285 2.328 1.00 24.12 H new ATOM 0 HB2 LYS A 32 26.548 1.059 3.138 1.00 60.53 H new ATOM 0 HB3 LYS A 32 27.387 -0.424 3.552 1.00 60.53 H new ATOM 0 HG2 LYS A 32 28.877 -0.067 1.515 1.00 41.32 H new ATOM 0 HG3 LYS A 32 28.106 1.490 1.283 1.00 41.32 H new ATOM 0 HD2 LYS A 32 29.091 1.012 4.055 1.00 73.25 H new ATOM 0 HD3 LYS A 32 30.354 1.061 2.840 1.00 73.25 H new ATOM 0 HE2 LYS A 32 30.225 3.332 3.225 1.00 61.11 H new ATOM 0 HE3 LYS A 32 28.947 3.234 2.030 1.00 61.11 H new ATOM 0 HZ1 LYS A 32 28.221 4.422 3.993 1.00 51.32 H new ATOM 0 HZ2 LYS A 32 27.331 2.987 3.818 1.00 51.32 H new ATOM 0 HZ3 LYS A 32 28.569 3.082 4.976 1.00 51.32 H new ATOM 481 N GLY A 33 23.928 0.050 1.366 1.00 1.30 N ATOM 482 CA GLY A 33 22.825 0.795 0.783 1.00 71.31 C ATOM 483 C GLY A 33 21.496 0.407 1.435 1.00 62.41 C ATOM 484 O GLY A 33 21.469 -0.392 2.370 1.00 64.22 O ATOM 0 H GLY A 33 23.651 -0.674 2.029 1.00 1.30 H new ATOM 0 HA2 GLY A 33 22.997 1.864 0.908 1.00 71.31 H new ATOM 0 HA3 GLY A 33 22.778 0.603 -0.289 1.00 71.31 H new ATOM 488 N GLU A 34 20.426 0.990 0.916 1.00 42.25 N ATOM 489 CA GLU A 34 19.097 0.715 1.435 1.00 4.44 C ATOM 490 C GLU A 34 18.111 0.502 0.285 1.00 1.33 C ATOM 491 O GLU A 34 18.432 0.773 -0.871 1.00 2.12 O ATOM 492 CB GLU A 34 18.627 1.840 2.360 1.00 51.12 C ATOM 493 CG GLU A 34 19.187 1.659 3.772 1.00 10.41 C ATOM 494 CD GLU A 34 18.351 2.430 4.796 1.00 5.50 C ATOM 495 OE1 GLU A 34 18.508 2.220 6.008 1.00 15.21 O ATOM 496 OE2 GLU A 34 17.516 3.275 4.293 1.00 2.11 O ATOM 0 H GLU A 34 20.452 1.652 0.141 1.00 42.25 H new ATOM 0 HA GLU A 34 19.140 -0.201 2.024 1.00 4.44 H new ATOM 0 HB2 GLU A 34 18.946 2.802 1.959 1.00 51.12 H new ATOM 0 HB3 GLU A 34 17.538 1.855 2.396 1.00 51.12 H new ATOM 0 HG2 GLU A 34 19.198 0.600 4.030 1.00 10.41 H new ATOM 0 HG3 GLU A 34 20.220 2.006 3.805 1.00 10.41 H new ATOM 504 N THR A 35 16.930 0.019 0.643 1.00 43.05 N ATOM 505 CA THR A 35 15.895 -0.234 -0.345 1.00 40.53 C ATOM 506 C THR A 35 14.643 -0.800 0.327 1.00 21.03 C ATOM 507 O THR A 35 14.638 -1.042 1.533 1.00 35.32 O ATOM 508 CB THR A 35 16.479 -1.156 -1.417 1.00 42.11 C ATOM 509 OG1 THR A 35 15.339 -1.621 -2.134 1.00 12.01 O ATOM 510 CG2 THR A 35 17.091 -2.427 -0.825 1.00 63.24 C ATOM 0 H THR A 35 16.667 -0.204 1.603 1.00 43.05 H new ATOM 0 HA THR A 35 15.577 0.689 -0.829 1.00 40.53 H new ATOM 0 HB THR A 35 17.238 -0.618 -1.984 1.00 42.11 H new ATOM 0 HG1 THR A 35 15.631 -2.126 -2.921 1.00 12.01 H new ATOM 0 HG21 THR A 35 17.491 -3.046 -1.628 1.00 63.24 H new ATOM 0 HG22 THR A 35 17.894 -2.159 -0.139 1.00 63.24 H new ATOM 0 HG23 THR A 35 16.324 -2.983 -0.286 1.00 63.24 H new ATOM 518 N THR A 36 13.612 -0.995 -0.482 1.00 43.30 N ATOM 519 CA THR A 36 12.357 -1.528 0.020 1.00 63.24 C ATOM 520 C THR A 36 11.683 -2.395 -1.045 1.00 73.14 C ATOM 521 O THR A 36 11.898 -2.197 -2.240 1.00 62.01 O ATOM 522 CB THR A 36 11.495 -0.352 0.482 1.00 73.13 C ATOM 523 OG1 THR A 36 11.214 0.365 -0.717 1.00 61.24 O ATOM 524 CG2 THR A 36 12.276 0.646 1.339 1.00 50.14 C ATOM 0 H THR A 36 13.620 -0.793 -1.482 1.00 43.30 H new ATOM 0 HA THR A 36 12.519 -2.185 0.874 1.00 63.24 H new ATOM 0 HB THR A 36 10.643 -0.728 1.049 1.00 73.13 H new ATOM 0 HG1 THR A 36 10.657 1.144 -0.509 1.00 61.24 H new ATOM 0 HG21 THR A 36 11.617 1.461 1.640 1.00 50.14 H new ATOM 0 HG22 THR A 36 12.659 0.142 2.226 1.00 50.14 H new ATOM 0 HG23 THR A 36 13.109 1.047 0.762 1.00 50.14 H new ATOM 532 N THR A 37 10.880 -3.337 -0.574 1.00 34.51 N ATOM 533 CA THR A 37 10.172 -4.235 -1.471 1.00 21.42 C ATOM 534 C THR A 37 8.807 -4.606 -0.887 1.00 43.00 C ATOM 535 O THR A 37 8.647 -4.674 0.331 1.00 55.54 O ATOM 536 CB THR A 37 11.070 -5.446 -1.733 1.00 31.21 C ATOM 537 OG1 THR A 37 10.329 -6.234 -2.661 1.00 14.33 O ATOM 538 CG2 THR A 37 11.209 -6.349 -0.505 1.00 53.13 C ATOM 0 H THR A 37 10.704 -3.498 0.418 1.00 34.51 H new ATOM 0 HA THR A 37 9.962 -3.755 -2.427 1.00 21.42 H new ATOM 0 HB THR A 37 12.057 -5.105 -2.046 1.00 31.21 H new ATOM 0 HG1 THR A 37 10.290 -7.161 -2.345 1.00 14.33 H new ATOM 0 HG21 THR A 37 11.856 -7.193 -0.745 1.00 53.13 H new ATOM 0 HG22 THR A 37 11.644 -5.781 0.317 1.00 53.13 H new ATOM 0 HG23 THR A 37 10.226 -6.718 -0.211 1.00 53.13 H new ATOM 546 N CYS A 38 7.859 -4.836 -1.783 1.00 70.41 N ATOM 547 CA CYS A 38 6.513 -5.198 -1.372 1.00 61.42 C ATOM 548 C CYS A 38 6.257 -6.648 -1.790 1.00 12.32 C ATOM 549 O CYS A 38 6.587 -7.043 -2.907 1.00 25.44 O ATOM 550 CB CYS A 38 5.468 -4.244 -1.953 1.00 42.33 C ATOM 551 SG CYS A 38 5.667 -2.494 -1.456 1.00 14.23 S ATOM 0 H CYS A 38 7.996 -4.779 -2.792 1.00 70.41 H new ATOM 0 HA CYS A 38 6.425 -5.112 -0.289 1.00 61.42 H new ATOM 0 HB2 CYS A 38 5.506 -4.305 -3.041 1.00 42.33 H new ATOM 0 HB3 CYS A 38 4.478 -4.583 -1.649 1.00 42.33 H new ATOM 0 HG CYS A 38 4.732 -1.778 -2.006 1.00 14.23 H new ATOM 556 N ALA A 39 5.670 -7.400 -0.871 1.00 12.14 N ATOM 557 CA ALA A 39 5.365 -8.797 -1.129 1.00 44.14 C ATOM 558 C ALA A 39 3.979 -9.124 -0.571 1.00 71.14 C ATOM 559 O ALA A 39 3.525 -8.493 0.382 1.00 72.40 O ATOM 560 CB ALA A 39 6.460 -9.679 -0.525 1.00 41.41 C ATOM 0 H ALA A 39 5.397 -7.068 0.054 1.00 12.14 H new ATOM 0 HA ALA A 39 5.343 -8.993 -2.201 1.00 44.14 H new ATOM 0 HB1 ALA A 39 6.231 -10.727 -0.719 1.00 41.41 H new ATOM 0 HB2 ALA A 39 7.420 -9.428 -0.976 1.00 41.41 H new ATOM 0 HB3 ALA A 39 6.510 -9.511 0.551 1.00 41.41 H new ATOM 566 N VAL A 40 3.345 -10.110 -1.189 1.00 51.25 N ATOM 567 CA VAL A 40 2.019 -10.528 -0.766 1.00 63.45 C ATOM 568 C VAL A 40 2.112 -11.180 0.615 1.00 74.23 C ATOM 569 O VAL A 40 1.161 -11.129 1.394 1.00 62.11 O ATOM 570 CB VAL A 40 1.399 -11.447 -1.821 1.00 64.40 C ATOM 571 CG1 VAL A 40 1.728 -12.913 -1.532 1.00 65.43 C ATOM 572 CG2 VAL A 40 -0.113 -11.233 -1.915 1.00 4.15 C ATOM 0 H VAL A 40 3.725 -10.631 -1.979 1.00 51.25 H new ATOM 0 HA VAL A 40 1.357 -9.667 -0.675 1.00 63.45 H new ATOM 0 HB VAL A 40 1.834 -11.190 -2.787 1.00 64.40 H new ATOM 0 HG11 VAL A 40 1.276 -13.545 -2.296 1.00 65.43 H new ATOM 0 HG12 VAL A 40 2.809 -13.052 -1.540 1.00 65.43 H new ATOM 0 HG13 VAL A 40 1.334 -13.188 -0.554 1.00 65.43 H new ATOM 0 HG21 VAL A 40 -0.528 -11.898 -2.672 1.00 4.15 H new ATOM 0 HG22 VAL A 40 -0.572 -11.450 -0.950 1.00 4.15 H new ATOM 0 HG23 VAL A 40 -0.318 -10.198 -2.190 1.00 4.15 H new ATOM 582 N ASP A 41 3.265 -11.778 0.876 1.00 52.12 N ATOM 583 CA ASP A 41 3.494 -12.439 2.149 1.00 14.14 C ATOM 584 C ASP A 41 4.944 -12.214 2.583 1.00 74.14 C ATOM 585 O ASP A 41 5.848 -12.194 1.749 1.00 22.33 O ATOM 586 CB ASP A 41 3.262 -13.947 2.037 1.00 63.15 C ATOM 587 CG ASP A 41 1.831 -14.357 1.686 1.00 34.32 C ATOM 588 OD1 ASP A 41 0.878 -14.036 2.412 1.00 3.14 O ATOM 589 OD2 ASP A 41 1.711 -15.045 0.602 1.00 74.53 O ATOM 0 H ASP A 41 4.051 -11.818 0.227 1.00 52.12 H new ATOM 0 HA ASP A 41 2.798 -12.020 2.876 1.00 14.14 H new ATOM 0 HB2 ASP A 41 3.935 -14.347 1.279 1.00 63.15 H new ATOM 0 HB3 ASP A 41 3.535 -14.413 2.984 1.00 63.15 H new ATOM 595 N ALA A 42 5.120 -12.050 3.885 1.00 32.25 N ATOM 596 CA ALA A 42 6.445 -11.828 4.439 1.00 14.54 C ATOM 597 C ALA A 42 7.366 -12.976 4.023 1.00 1.25 C ATOM 598 O ALA A 42 8.586 -12.820 3.998 1.00 11.42 O ATOM 599 CB ALA A 42 6.345 -11.681 5.959 1.00 33.31 C ATOM 0 H ALA A 42 4.367 -12.066 4.573 1.00 32.25 H new ATOM 0 HA ALA A 42 6.874 -10.904 4.050 1.00 14.54 H new ATOM 0 HB1 ALA A 42 7.339 -11.515 6.375 1.00 33.31 H new ATOM 0 HB2 ALA A 42 5.704 -10.834 6.201 1.00 33.31 H new ATOM 0 HB3 ALA A 42 5.921 -12.590 6.385 1.00 33.31 H new ATOM 605 N ALA A 43 6.747 -14.104 3.708 1.00 64.04 N ATOM 606 CA ALA A 43 7.497 -15.278 3.294 1.00 31.20 C ATOM 607 C ALA A 43 8.156 -15.006 1.941 1.00 64.35 C ATOM 608 O ALA A 43 9.336 -15.299 1.751 1.00 41.41 O ATOM 609 CB ALA A 43 6.565 -16.491 3.255 1.00 23.25 C ATOM 0 H ALA A 43 5.735 -14.230 3.731 1.00 64.04 H new ATOM 0 HA ALA A 43 8.290 -15.498 4.008 1.00 31.20 H new ATOM 0 HB1 ALA A 43 7.127 -17.372 2.945 1.00 23.25 H new ATOM 0 HB2 ALA A 43 6.145 -16.659 4.247 1.00 23.25 H new ATOM 0 HB3 ALA A 43 5.758 -16.307 2.546 1.00 23.25 H new ATOM 615 N THR A 44 7.366 -14.450 1.034 1.00 1.23 N ATOM 616 CA THR A 44 7.859 -14.135 -0.296 1.00 75.21 C ATOM 617 C THR A 44 8.866 -12.985 -0.234 1.00 31.52 C ATOM 618 O THR A 44 9.909 -13.033 -0.884 1.00 31.30 O ATOM 619 CB THR A 44 6.652 -13.838 -1.189 1.00 30.32 C ATOM 620 OG1 THR A 44 5.989 -15.094 -1.306 1.00 64.41 O ATOM 621 CG2 THR A 44 7.056 -13.495 -2.624 1.00 11.50 C ATOM 0 H THR A 44 6.388 -14.210 1.194 1.00 1.23 H new ATOM 0 HA THR A 44 8.401 -14.977 -0.726 1.00 75.21 H new ATOM 0 HB THR A 44 6.082 -13.012 -0.765 1.00 30.32 H new ATOM 0 HG1 THR A 44 5.193 -14.992 -1.868 1.00 64.41 H new ATOM 0 HG21 THR A 44 6.163 -13.293 -3.215 1.00 11.50 H new ATOM 0 HG22 THR A 44 7.696 -12.613 -2.621 1.00 11.50 H new ATOM 0 HG23 THR A 44 7.597 -14.335 -3.060 1.00 11.50 H new ATOM 629 N ALA A 45 8.519 -11.979 0.555 1.00 55.14 N ATOM 630 CA ALA A 45 9.379 -10.819 0.710 1.00 4.34 C ATOM 631 C ALA A 45 10.736 -11.266 1.260 1.00 54.50 C ATOM 632 O ALA A 45 11.772 -10.722 0.882 1.00 2.10 O ATOM 633 CB ALA A 45 8.694 -9.792 1.614 1.00 51.22 C ATOM 0 H ALA A 45 7.654 -11.943 1.094 1.00 55.14 H new ATOM 0 HA ALA A 45 9.554 -10.340 -0.253 1.00 4.34 H new ATOM 0 HB1 ALA A 45 9.340 -8.922 1.730 1.00 51.22 H new ATOM 0 HB2 ALA A 45 7.749 -9.486 1.166 1.00 51.22 H new ATOM 0 HB3 ALA A 45 8.505 -10.236 2.591 1.00 51.22 H new ATOM 639 N GLU A 46 10.684 -12.252 2.143 1.00 4.44 N ATOM 640 CA GLU A 46 11.896 -12.778 2.749 1.00 41.32 C ATOM 641 C GLU A 46 12.857 -13.276 1.667 1.00 34.22 C ATOM 642 O GLU A 46 14.045 -12.962 1.695 1.00 44.40 O ATOM 643 CB GLU A 46 11.571 -13.889 3.748 1.00 24.54 C ATOM 644 CG GLU A 46 12.833 -14.356 4.478 1.00 35.03 C ATOM 645 CD GLU A 46 12.526 -14.702 5.937 1.00 54.12 C ATOM 646 OE1 GLU A 46 13.236 -14.245 6.845 1.00 72.21 O ATOM 647 OE2 GLU A 46 11.507 -15.474 6.111 1.00 10.14 O ATOM 0 H GLU A 46 9.822 -12.701 2.454 1.00 4.44 H new ATOM 0 HA GLU A 46 12.384 -11.973 3.298 1.00 41.32 H new ATOM 0 HB2 GLU A 46 10.840 -13.530 4.472 1.00 24.54 H new ATOM 0 HB3 GLU A 46 11.116 -14.731 3.226 1.00 24.54 H new ATOM 0 HG2 GLU A 46 13.248 -15.228 3.973 1.00 35.03 H new ATOM 0 HG3 GLU A 46 13.591 -13.574 4.438 1.00 35.03 H new ATOM 655 N LYS A 47 12.305 -14.045 0.740 1.00 63.40 N ATOM 656 CA LYS A 47 13.098 -14.590 -0.349 1.00 24.42 C ATOM 657 C LYS A 47 13.756 -13.443 -1.118 1.00 65.54 C ATOM 658 O LYS A 47 14.945 -13.502 -1.431 1.00 74.32 O ATOM 659 CB LYS A 47 12.245 -15.509 -1.225 1.00 61.43 C ATOM 660 CG LYS A 47 11.362 -16.419 -0.369 1.00 13.12 C ATOM 661 CD LYS A 47 12.142 -16.978 0.823 1.00 44.35 C ATOM 662 CE LYS A 47 13.416 -17.688 0.359 1.00 11.30 C ATOM 663 NZ LYS A 47 14.370 -17.827 1.482 1.00 13.11 N ATOM 0 H LYS A 47 11.319 -14.304 0.720 1.00 63.40 H new ATOM 0 HA LYS A 47 13.901 -15.215 0.040 1.00 24.42 H new ATOM 0 HB2 LYS A 47 11.621 -14.909 -1.887 1.00 61.43 H new ATOM 0 HB3 LYS A 47 12.892 -16.116 -1.859 1.00 61.43 H new ATOM 0 HG2 LYS A 47 10.497 -15.861 -0.012 1.00 13.12 H new ATOM 0 HG3 LYS A 47 10.983 -17.240 -0.977 1.00 13.12 H new ATOM 0 HD2 LYS A 47 12.400 -16.168 1.505 1.00 44.35 H new ATOM 0 HD3 LYS A 47 11.514 -17.675 1.379 1.00 44.35 H new ATOM 0 HE2 LYS A 47 13.167 -18.672 -0.038 1.00 11.30 H new ATOM 0 HE3 LYS A 47 13.879 -17.125 -0.451 1.00 11.30 H new ATOM 0 HZ1 LYS A 47 15.242 -18.280 1.142 1.00 13.11 H new ATOM 0 HZ2 LYS A 47 14.595 -16.887 1.865 1.00 13.11 H new ATOM 0 HZ3 LYS A 47 13.944 -18.412 2.229 1.00 13.11 H new ATOM 676 N VAL A 48 12.955 -12.427 -1.402 1.00 4.14 N ATOM 677 CA VAL A 48 13.445 -11.268 -2.129 1.00 21.13 C ATOM 678 C VAL A 48 14.580 -10.616 -1.336 1.00 33.10 C ATOM 679 O VAL A 48 15.587 -10.206 -1.910 1.00 41.13 O ATOM 680 CB VAL A 48 12.291 -10.307 -2.421 1.00 33.24 C ATOM 681 CG1 VAL A 48 12.809 -8.983 -2.984 1.00 2.52 C ATOM 682 CG2 VAL A 48 11.273 -10.945 -3.368 1.00 72.12 C ATOM 0 H VAL A 48 11.970 -12.382 -1.142 1.00 4.14 H new ATOM 0 HA VAL A 48 13.853 -11.567 -3.094 1.00 21.13 H new ATOM 0 HB VAL A 48 11.785 -10.095 -1.479 1.00 33.24 H new ATOM 0 HG11 VAL A 48 11.968 -8.318 -3.183 1.00 2.52 H new ATOM 0 HG12 VAL A 48 13.477 -8.516 -2.260 1.00 2.52 H new ATOM 0 HG13 VAL A 48 13.351 -9.169 -3.911 1.00 2.52 H new ATOM 0 HG21 VAL A 48 10.463 -10.241 -3.559 1.00 72.12 H new ATOM 0 HG22 VAL A 48 11.761 -11.201 -4.308 1.00 72.12 H new ATOM 0 HG23 VAL A 48 10.868 -11.849 -2.912 1.00 72.12 H new ATOM 692 N PHE A 49 14.378 -10.541 -0.029 1.00 1.23 N ATOM 693 CA PHE A 49 15.372 -9.946 0.849 1.00 53.32 C ATOM 694 C PHE A 49 16.667 -10.760 0.843 1.00 72.41 C ATOM 695 O PHE A 49 17.759 -10.196 0.825 1.00 4.23 O ATOM 696 CB PHE A 49 14.784 -9.955 2.261 1.00 12.22 C ATOM 697 CG PHE A 49 15.822 -9.760 3.368 1.00 13.44 C ATOM 698 CD1 PHE A 49 16.941 -9.025 3.129 1.00 21.34 C ATOM 699 CD2 PHE A 49 15.625 -10.320 4.592 1.00 74.43 C ATOM 700 CE1 PHE A 49 17.904 -8.844 4.157 1.00 23.00 C ATOM 701 CE2 PHE A 49 16.588 -10.139 5.619 1.00 33.22 C ATOM 702 CZ PHE A 49 17.707 -9.405 5.380 1.00 2.13 C ATOM 0 H PHE A 49 13.541 -10.882 0.444 1.00 1.23 H new ATOM 0 HA PHE A 49 15.608 -8.936 0.513 1.00 53.32 H new ATOM 0 HB2 PHE A 49 14.035 -9.167 2.337 1.00 12.22 H new ATOM 0 HB3 PHE A 49 14.268 -10.902 2.423 1.00 12.22 H new ATOM 0 HD1 PHE A 49 17.097 -8.579 2.158 1.00 21.34 H new ATOM 0 HD2 PHE A 49 14.736 -10.902 4.782 1.00 74.43 H new ATOM 0 HE1 PHE A 49 18.793 -8.261 3.967 1.00 23.00 H new ATOM 0 HE2 PHE A 49 16.432 -10.584 6.590 1.00 33.22 H new ATOM 0 HZ PHE A 49 18.440 -9.267 6.162 1.00 2.13 H new ATOM 712 N LYS A 50 16.501 -12.075 0.858 1.00 4.10 N ATOM 713 CA LYS A 50 17.644 -12.973 0.855 1.00 53.13 C ATOM 714 C LYS A 50 18.325 -12.919 -0.514 1.00 61.42 C ATOM 715 O LYS A 50 19.545 -13.045 -0.610 1.00 31.43 O ATOM 716 CB LYS A 50 17.219 -14.381 1.276 1.00 62.33 C ATOM 717 CG LYS A 50 16.666 -14.384 2.702 1.00 2.23 C ATOM 718 CD LYS A 50 16.620 -15.804 3.270 1.00 40.11 C ATOM 719 CE LYS A 50 15.718 -15.872 4.504 1.00 60.12 C ATOM 720 NZ LYS A 50 14.815 -17.042 4.422 1.00 42.01 N ATOM 0 H LYS A 50 15.593 -12.540 0.872 1.00 4.10 H new ATOM 0 HA LYS A 50 18.382 -12.654 1.591 1.00 53.13 H new ATOM 0 HB2 LYS A 50 16.462 -14.757 0.588 1.00 62.33 H new ATOM 0 HB3 LYS A 50 18.072 -15.057 1.212 1.00 62.33 H new ATOM 0 HG2 LYS A 50 17.288 -13.754 3.338 1.00 2.23 H new ATOM 0 HG3 LYS A 50 15.665 -13.953 2.708 1.00 2.23 H new ATOM 0 HD2 LYS A 50 16.253 -16.492 2.509 1.00 40.11 H new ATOM 0 HD3 LYS A 50 17.627 -16.127 3.533 1.00 40.11 H new ATOM 0 HE2 LYS A 50 16.328 -15.939 5.405 1.00 60.12 H new ATOM 0 HE3 LYS A 50 15.131 -14.957 4.584 1.00 60.12 H new ATOM 0 HZ1 LYS A 50 14.383 -17.213 5.353 1.00 42.01 H new ATOM 0 HZ2 LYS A 50 14.068 -16.856 3.723 1.00 42.01 H new ATOM 0 HZ3 LYS A 50 15.358 -17.880 4.133 1.00 42.01 H new ATOM 733 N GLN A 51 17.507 -12.732 -1.540 1.00 24.23 N ATOM 734 CA GLN A 51 18.016 -12.660 -2.899 1.00 31.40 C ATOM 735 C GLN A 51 18.736 -11.330 -3.127 1.00 15.41 C ATOM 736 O GLN A 51 19.664 -11.251 -3.930 1.00 74.33 O ATOM 737 CB GLN A 51 16.890 -12.856 -3.917 1.00 23.45 C ATOM 738 CG GLN A 51 17.439 -13.372 -5.249 1.00 11.15 C ATOM 739 CD GLN A 51 17.575 -14.896 -5.232 1.00 43.23 C ATOM 740 OE1 GLN A 51 16.714 -15.617 -4.757 1.00 13.12 O ATOM 741 NE2 GLN A 51 18.703 -15.344 -5.777 1.00 51.20 N ATOM 0 H GLN A 51 16.496 -12.628 -1.457 1.00 24.23 H new ATOM 0 HA GLN A 51 18.734 -13.468 -3.040 1.00 31.40 H new ATOM 0 HB2 GLN A 51 16.158 -13.561 -3.524 1.00 23.45 H new ATOM 0 HB3 GLN A 51 16.370 -11.911 -4.075 1.00 23.45 H new ATOM 0 HG2 GLN A 51 16.776 -13.071 -6.061 1.00 11.15 H new ATOM 0 HG3 GLN A 51 18.410 -12.919 -5.446 1.00 11.15 H new ATOM 0 HE21 GLN A 51 19.383 -14.685 -6.157 1.00 51.20 H new ATOM 0 HE22 GLN A 51 18.888 -16.346 -5.815 1.00 51.20 H new ATOM 750 N TYR A 52 18.280 -10.316 -2.405 1.00 40.04 N ATOM 751 CA TYR A 52 18.869 -8.992 -2.519 1.00 32.41 C ATOM 752 C TYR A 52 20.264 -8.957 -1.892 1.00 61.41 C ATOM 753 O TYR A 52 21.225 -8.531 -2.531 1.00 20.50 O ATOM 754 CB TYR A 52 17.948 -8.053 -1.738 1.00 1.14 C ATOM 755 CG TYR A 52 17.708 -6.706 -2.422 1.00 2.31 C ATOM 756 CD1 TYR A 52 18.649 -5.701 -2.317 1.00 32.12 C ATOM 757 CD2 TYR A 52 16.551 -6.495 -3.144 1.00 43.11 C ATOM 758 CE1 TYR A 52 18.423 -4.433 -2.961 1.00 20.12 C ATOM 759 CE2 TYR A 52 16.326 -5.227 -3.788 1.00 55.12 C ATOM 760 CZ TYR A 52 17.273 -4.259 -3.665 1.00 15.43 C ATOM 761 OH TYR A 52 17.059 -3.061 -4.273 1.00 23.00 O ATOM 0 H TYR A 52 17.510 -10.385 -1.739 1.00 40.04 H new ATOM 0 HA TYR A 52 18.969 -8.705 -3.566 1.00 32.41 H new ATOM 0 HB2 TYR A 52 16.989 -8.547 -1.584 1.00 1.14 H new ATOM 0 HB3 TYR A 52 18.378 -7.877 -0.752 1.00 1.14 H new ATOM 0 HD1 TYR A 52 19.554 -5.866 -1.752 1.00 32.12 H new ATOM 0 HD2 TYR A 52 15.815 -7.281 -3.226 1.00 43.11 H new ATOM 0 HE1 TYR A 52 19.151 -3.638 -2.886 1.00 20.12 H new ATOM 0 HE2 TYR A 52 15.425 -5.049 -4.356 1.00 55.12 H new ATOM 0 HH TYR A 52 16.198 -3.080 -4.740 1.00 23.00 H new ATOM 771 N ALA A 53 20.331 -9.411 -0.649 1.00 1.10 N ATOM 772 CA ALA A 53 21.593 -9.437 0.071 1.00 12.23 C ATOM 773 C ALA A 53 22.592 -10.309 -0.691 1.00 4.00 C ATOM 774 O ALA A 53 23.786 -10.015 -0.715 1.00 5.23 O ATOM 775 CB ALA A 53 21.356 -9.933 1.499 1.00 73.41 C ATOM 0 H ALA A 53 19.532 -9.764 -0.122 1.00 1.10 H new ATOM 0 HA ALA A 53 22.016 -8.435 0.140 1.00 12.23 H new ATOM 0 HB1 ALA A 53 22.303 -9.953 2.039 1.00 73.41 H new ATOM 0 HB2 ALA A 53 20.662 -9.263 2.007 1.00 73.41 H new ATOM 0 HB3 ALA A 53 20.934 -10.938 1.470 1.00 73.41 H new ATOM 781 N ASN A 54 22.067 -11.365 -1.295 1.00 44.44 N ATOM 782 CA ASN A 54 22.899 -12.282 -2.057 1.00 12.45 C ATOM 783 C ASN A 54 23.420 -11.572 -3.308 1.00 11.23 C ATOM 784 O ASN A 54 24.582 -11.732 -3.678 1.00 72.12 O ATOM 785 CB ASN A 54 22.099 -13.506 -2.506 1.00 64.10 C ATOM 786 CG ASN A 54 22.128 -14.602 -1.439 1.00 3.14 C ATOM 787 OD1 ASN A 54 22.658 -14.433 -0.353 1.00 10.24 O ATOM 788 ND2 ASN A 54 21.531 -15.732 -1.807 1.00 11.42 N ATOM 0 H ASN A 54 21.076 -11.606 -1.272 1.00 44.44 H new ATOM 0 HA ASN A 54 23.721 -12.603 -1.417 1.00 12.45 H new ATOM 0 HB2 ASN A 54 21.068 -13.217 -2.707 1.00 64.10 H new ATOM 0 HB3 ASN A 54 22.510 -13.891 -3.439 1.00 64.10 H new ATOM 0 HD21 ASN A 54 21.497 -16.524 -1.165 1.00 11.42 H new ATOM 0 HD22 ASN A 54 21.107 -15.807 -2.731 1.00 11.42 H new ATOM 795 N ASP A 55 22.535 -10.802 -3.924 1.00 61.24 N ATOM 796 CA ASP A 55 22.891 -10.067 -5.126 1.00 62.42 C ATOM 797 C ASP A 55 24.015 -9.081 -4.802 1.00 22.43 C ATOM 798 O ASP A 55 24.740 -8.646 -5.695 1.00 5.45 O ATOM 799 CB ASP A 55 21.699 -9.268 -5.656 1.00 44.33 C ATOM 800 CG ASP A 55 21.808 -8.839 -7.121 1.00 61.40 C ATOM 801 OD1 ASP A 55 22.786 -9.164 -7.811 1.00 21.44 O ATOM 802 OD2 ASP A 55 20.821 -8.132 -7.557 1.00 20.40 O ATOM 0 H ASP A 55 21.572 -10.671 -3.613 1.00 61.24 H new ATOM 0 HA ASP A 55 23.207 -10.787 -5.881 1.00 62.42 H new ATOM 0 HB2 ASP A 55 20.796 -9.867 -5.535 1.00 44.33 H new ATOM 0 HB3 ASP A 55 21.575 -8.377 -5.040 1.00 44.33 H new ATOM 808 N ASN A 56 24.125 -8.759 -3.521 1.00 54.44 N ATOM 809 CA ASN A 56 25.148 -7.832 -3.068 1.00 21.21 C ATOM 810 C ASN A 56 26.404 -8.616 -2.681 1.00 13.13 C ATOM 811 O ASN A 56 27.493 -8.050 -2.602 1.00 62.31 O ATOM 812 CB ASN A 56 24.679 -7.053 -1.838 1.00 3.42 C ATOM 813 CG ASN A 56 23.525 -6.113 -2.192 1.00 1.55 C ATOM 814 OD1 ASN A 56 23.396 -5.020 -1.664 1.00 44.12 O ATOM 815 ND2 ASN A 56 22.695 -6.597 -3.111 1.00 45.33 N ATOM 0 H ASN A 56 23.523 -9.124 -2.783 1.00 54.44 H new ATOM 0 HA ASN A 56 25.355 -7.134 -3.879 1.00 21.21 H new ATOM 0 HB2 ASN A 56 24.361 -7.749 -1.062 1.00 3.42 H new ATOM 0 HB3 ASN A 56 25.509 -6.477 -1.429 1.00 3.42 H new ATOM 0 HD21 ASN A 56 21.892 -6.046 -3.414 1.00 45.33 H new ATOM 0 HD22 ASN A 56 22.861 -7.520 -3.513 1.00 45.33 H new ATOM 822 N GLY A 57 26.209 -9.906 -2.449 1.00 5.10 N ATOM 823 CA GLY A 57 27.313 -10.773 -2.072 1.00 13.01 C ATOM 824 C GLY A 57 27.782 -10.475 -0.646 1.00 42.35 C ATOM 825 O GLY A 57 28.962 -10.625 -0.333 1.00 61.54 O ATOM 0 H GLY A 57 25.304 -10.372 -2.515 1.00 5.10 H new ATOM 0 HA2 GLY A 57 27.003 -11.815 -2.146 1.00 13.01 H new ATOM 0 HA3 GLY A 57 28.141 -10.636 -2.767 1.00 13.01 H new ATOM 829 N VAL A 58 26.834 -10.057 0.179 1.00 1.33 N ATOM 830 CA VAL A 58 27.136 -9.736 1.564 1.00 12.10 C ATOM 831 C VAL A 58 26.291 -10.620 2.484 1.00 71.05 C ATOM 832 O VAL A 58 25.085 -10.756 2.284 1.00 51.24 O ATOM 833 CB VAL A 58 26.925 -8.241 1.813 1.00 72.02 C ATOM 834 CG1 VAL A 58 27.027 -7.914 3.304 1.00 51.42 C ATOM 835 CG2 VAL A 58 27.914 -7.405 0.999 1.00 42.14 C ATOM 0 H VAL A 58 25.856 -9.933 -0.084 1.00 1.33 H new ATOM 0 HA VAL A 58 28.183 -9.944 1.784 1.00 12.10 H new ATOM 0 HB VAL A 58 25.919 -7.985 1.482 1.00 72.02 H new ATOM 0 HG11 VAL A 58 26.873 -6.845 3.453 1.00 51.42 H new ATOM 0 HG12 VAL A 58 26.266 -8.470 3.851 1.00 51.42 H new ATOM 0 HG13 VAL A 58 28.015 -8.193 3.671 1.00 51.42 H new ATOM 0 HG21 VAL A 58 27.743 -6.346 1.194 1.00 42.14 H new ATOM 0 HG22 VAL A 58 28.933 -7.666 1.285 1.00 42.14 H new ATOM 0 HG23 VAL A 58 27.772 -7.606 -0.063 1.00 42.14 H new ATOM 845 N ASP A 59 26.958 -11.198 3.472 1.00 73.54 N ATOM 846 CA ASP A 59 26.283 -12.066 4.422 1.00 2.25 C ATOM 847 C ASP A 59 26.914 -11.888 5.805 1.00 11.40 C ATOM 848 O ASP A 59 28.119 -11.669 5.918 1.00 61.10 O ATOM 849 CB ASP A 59 26.425 -13.536 4.024 1.00 43.01 C ATOM 850 CG ASP A 59 27.837 -14.109 4.159 1.00 25.12 C ATOM 851 OD1 ASP A 59 28.761 -13.708 3.436 1.00 63.45 O ATOM 852 OD2 ASP A 59 27.973 -15.017 5.065 1.00 31.14 O ATOM 0 H ASP A 59 27.958 -11.082 3.635 1.00 73.54 H new ATOM 0 HA ASP A 59 25.227 -11.796 4.433 1.00 2.25 H new ATOM 0 HB2 ASP A 59 25.748 -14.130 4.638 1.00 43.01 H new ATOM 0 HB3 ASP A 59 26.100 -13.650 2.990 1.00 43.01 H new ATOM 858 N GLY A 60 26.071 -11.988 6.822 1.00 12.41 N ATOM 859 CA GLY A 60 26.531 -11.840 8.193 1.00 74.24 C ATOM 860 C GLY A 60 25.373 -12.000 9.180 1.00 55.13 C ATOM 861 O GLY A 60 24.765 -13.066 9.262 1.00 74.03 O ATOM 0 H GLY A 60 25.072 -12.170 6.725 1.00 12.41 H new ATOM 0 HA2 GLY A 60 27.299 -12.583 8.405 1.00 74.24 H new ATOM 0 HA3 GLY A 60 26.991 -10.860 8.322 1.00 74.24 H new ATOM 865 N GLU A 61 25.102 -10.924 9.904 1.00 21.24 N ATOM 866 CA GLU A 61 24.028 -10.931 10.883 1.00 73.54 C ATOM 867 C GLU A 61 22.734 -10.411 10.254 1.00 74.33 C ATOM 868 O GLU A 61 22.634 -9.233 9.916 1.00 54.24 O ATOM 869 CB GLU A 61 24.405 -10.111 12.118 1.00 63.42 C ATOM 870 CG GLU A 61 23.581 -10.540 13.333 1.00 11.25 C ATOM 871 CD GLU A 61 24.205 -10.020 14.630 1.00 23.30 C ATOM 872 OE1 GLU A 61 25.015 -9.082 14.596 1.00 65.15 O ATOM 873 OE2 GLU A 61 23.820 -10.626 15.702 1.00 65.53 O ATOM 0 H GLU A 61 25.608 -10.041 9.832 1.00 21.24 H new ATOM 0 HA GLU A 61 23.865 -11.959 11.207 1.00 73.54 H new ATOM 0 HB2 GLU A 61 25.467 -10.236 12.332 1.00 63.42 H new ATOM 0 HB3 GLU A 61 24.242 -9.052 11.919 1.00 63.42 H new ATOM 0 HG2 GLU A 61 22.563 -10.162 13.238 1.00 11.25 H new ATOM 0 HG3 GLU A 61 23.516 -11.628 13.367 1.00 11.25 H new ATOM 881 N TRP A 62 21.775 -11.316 10.116 1.00 41.52 N ATOM 882 CA TRP A 62 20.492 -10.963 9.533 1.00 15.44 C ATOM 883 C TRP A 62 19.516 -10.677 10.677 1.00 40.20 C ATOM 884 O TRP A 62 19.319 -11.516 11.554 1.00 25.24 O ATOM 885 CB TRP A 62 19.999 -12.059 8.587 1.00 33.23 C ATOM 886 CG TRP A 62 20.898 -12.281 7.369 1.00 10.15 C ATOM 887 CD1 TRP A 62 22.191 -12.634 7.352 1.00 54.34 C ATOM 888 CD2 TRP A 62 20.517 -12.149 5.984 1.00 73.43 C ATOM 889 NE1 TRP A 62 22.669 -12.739 6.061 1.00 15.22 N ATOM 890 CE2 TRP A 62 21.618 -12.435 5.203 1.00 61.00 C ATOM 891 CE3 TRP A 62 19.282 -11.801 5.409 1.00 13.10 C ATOM 892 CZ2 TRP A 62 21.595 -12.401 3.804 1.00 64.34 C ATOM 893 CZ3 TRP A 62 19.276 -11.772 4.009 1.00 14.43 C ATOM 894 CH2 TRP A 62 20.376 -12.056 3.209 1.00 32.30 C ATOM 0 H TRP A 62 21.861 -12.292 10.398 1.00 41.52 H new ATOM 0 HA TRP A 62 20.581 -10.067 8.918 1.00 15.44 H new ATOM 0 HB2 TRP A 62 19.918 -12.994 9.141 1.00 33.23 H new ATOM 0 HB3 TRP A 62 18.996 -11.804 8.244 1.00 33.23 H new ATOM 0 HD1 TRP A 62 22.784 -12.814 8.237 1.00 54.34 H new ATOM 0 HE1 TRP A 62 23.618 -12.993 5.787 1.00 15.22 H new ATOM 0 HE3 TRP A 62 18.407 -11.574 6.000 1.00 13.10 H new ATOM 0 HZ2 TRP A 62 22.471 -12.629 3.215 1.00 64.34 H new ATOM 0 HZ3 TRP A 62 18.351 -11.510 3.516 1.00 14.43 H new ATOM 0 HH2 TRP A 62 20.291 -12.011 2.133 1.00 32.30 H new ATOM 905 N THR A 63 18.931 -9.489 10.630 1.00 32.11 N ATOM 906 CA THR A 63 17.981 -9.082 11.651 1.00 34.12 C ATOM 907 C THR A 63 16.756 -8.427 11.009 1.00 2.45 C ATOM 908 O THR A 63 16.892 -7.571 10.137 1.00 52.34 O ATOM 909 CB THR A 63 18.710 -8.170 12.639 1.00 22.14 C ATOM 910 OG1 THR A 63 17.679 -7.696 13.501 1.00 30.20 O ATOM 911 CG2 THR A 63 19.253 -6.903 11.976 1.00 51.23 C ATOM 0 H THR A 63 19.097 -8.795 9.901 1.00 32.11 H new ATOM 0 HA THR A 63 17.600 -9.942 12.201 1.00 34.12 H new ATOM 0 HB THR A 63 19.531 -8.719 13.100 1.00 22.14 H new ATOM 0 HG1 THR A 63 18.065 -7.098 14.175 1.00 30.20 H new ATOM 0 HG21 THR A 63 19.761 -6.291 12.722 1.00 51.23 H new ATOM 0 HG22 THR A 63 19.957 -7.177 11.190 1.00 51.23 H new ATOM 0 HG23 THR A 63 18.428 -6.337 11.543 1.00 51.23 H new ATOM 919 N TYR A 64 15.588 -8.853 11.467 1.00 63.51 N ATOM 920 CA TYR A 64 14.341 -8.319 10.948 1.00 13.34 C ATOM 921 C TYR A 64 13.375 -7.980 12.085 1.00 35.45 C ATOM 922 O TYR A 64 13.232 -8.751 13.034 1.00 50.24 O ATOM 923 CB TYR A 64 13.731 -9.429 10.090 1.00 53.50 C ATOM 924 CG TYR A 64 12.206 -9.362 9.978 1.00 44.42 C ATOM 925 CD1 TYR A 64 11.618 -8.500 9.075 1.00 50.41 C ATOM 926 CD2 TYR A 64 11.420 -10.164 10.780 1.00 55.54 C ATOM 927 CE1 TYR A 64 10.183 -8.437 8.969 1.00 3.44 C ATOM 928 CE2 TYR A 64 9.985 -10.101 10.674 1.00 12.41 C ATOM 929 CZ TYR A 64 9.437 -9.240 9.774 1.00 25.22 C ATOM 930 OH TYR A 64 8.082 -9.181 9.675 1.00 44.25 O ATOM 0 H TYR A 64 15.479 -9.562 12.192 1.00 63.51 H new ATOM 0 HA TYR A 64 14.521 -7.405 10.382 1.00 13.34 H new ATOM 0 HB2 TYR A 64 14.161 -9.379 9.090 1.00 53.50 H new ATOM 0 HB3 TYR A 64 14.012 -10.395 10.510 1.00 53.50 H new ATOM 0 HD1 TYR A 64 12.234 -7.873 8.448 1.00 50.41 H new ATOM 0 HD2 TYR A 64 11.881 -10.838 11.487 1.00 55.54 H new ATOM 0 HE1 TYR A 64 9.710 -7.767 8.266 1.00 3.44 H new ATOM 0 HE2 TYR A 64 9.358 -10.723 11.295 1.00 12.41 H new ATOM 0 HH TYR A 64 7.682 -9.866 10.251 1.00 44.25 H new ATOM 940 N ASP A 65 12.736 -6.827 11.953 1.00 73.20 N ATOM 941 CA ASP A 65 11.787 -6.377 12.958 1.00 61.45 C ATOM 942 C ASP A 65 10.397 -6.267 12.327 1.00 23.01 C ATOM 943 O ASP A 65 10.143 -5.364 11.531 1.00 32.42 O ATOM 944 CB ASP A 65 12.171 -4.999 13.500 1.00 60.32 C ATOM 945 CG ASP A 65 13.003 -5.018 14.784 1.00 72.42 C ATOM 946 OD1 ASP A 65 14.237 -4.906 14.747 1.00 41.11 O ATOM 947 OD2 ASP A 65 12.323 -5.158 15.871 1.00 3.25 O ATOM 0 H ASP A 65 12.857 -6.190 11.165 1.00 73.20 H new ATOM 0 HA ASP A 65 11.792 -7.099 13.774 1.00 61.45 H new ATOM 0 HB2 ASP A 65 12.729 -4.465 12.731 1.00 60.32 H new ATOM 0 HB3 ASP A 65 11.259 -4.431 13.684 1.00 60.32 H new ATOM 953 N ASP A 66 9.535 -7.198 12.707 1.00 73.22 N ATOM 954 CA ASP A 66 8.177 -7.217 12.189 1.00 43.14 C ATOM 955 C ASP A 66 7.450 -5.945 12.630 1.00 20.20 C ATOM 956 O ASP A 66 6.450 -5.557 12.028 1.00 1.00 O ATOM 957 CB ASP A 66 7.398 -8.418 12.728 1.00 65.33 C ATOM 958 CG ASP A 66 6.196 -8.842 11.882 1.00 62.05 C ATOM 959 OD1 ASP A 66 6.145 -9.967 11.363 1.00 30.31 O ATOM 960 OD2 ASP A 66 5.272 -7.950 11.762 1.00 43.23 O ATOM 0 H ASP A 66 9.750 -7.945 13.367 1.00 73.22 H new ATOM 0 HA ASP A 66 8.232 -7.282 11.102 1.00 43.14 H new ATOM 0 HB2 ASP A 66 8.079 -9.265 12.814 1.00 65.33 H new ATOM 0 HB3 ASP A 66 7.051 -8.185 13.734 1.00 65.33 H new ATOM 966 N ALA A 67 7.980 -5.332 13.678 1.00 45.12 N ATOM 967 CA ALA A 67 7.394 -4.112 14.207 1.00 63.21 C ATOM 968 C ALA A 67 7.409 -3.032 13.123 1.00 24.41 C ATOM 969 O ALA A 67 6.532 -2.171 13.087 1.00 32.34 O ATOM 970 CB ALA A 67 8.152 -3.686 15.466 1.00 44.54 C ATOM 0 H ALA A 67 8.809 -5.657 14.175 1.00 45.12 H new ATOM 0 HA ALA A 67 6.355 -4.277 14.492 1.00 63.21 H new ATOM 0 HB1 ALA A 67 7.713 -2.771 15.863 1.00 44.54 H new ATOM 0 HB2 ALA A 67 8.086 -4.475 16.215 1.00 44.54 H new ATOM 0 HB3 ALA A 67 9.198 -3.508 15.218 1.00 44.54 H new ATOM 976 N THR A 68 8.416 -3.114 12.266 1.00 43.42 N ATOM 977 CA THR A 68 8.557 -2.154 11.184 1.00 62.02 C ATOM 978 C THR A 68 8.845 -2.875 9.866 1.00 64.24 C ATOM 979 O THR A 68 9.214 -2.244 8.876 1.00 23.23 O ATOM 980 CB THR A 68 9.644 -1.152 11.579 1.00 63.53 C ATOM 981 OG1 THR A 68 9.968 -0.492 10.358 1.00 13.13 O ATOM 982 CG2 THR A 68 10.950 -1.837 11.989 1.00 13.33 C ATOM 0 H THR A 68 9.142 -3.830 12.299 1.00 43.42 H new ATOM 0 HA THR A 68 7.631 -1.603 11.021 1.00 62.02 H new ATOM 0 HB THR A 68 9.285 -0.532 12.400 1.00 63.53 H new ATOM 0 HG1 THR A 68 9.358 -0.793 9.652 1.00 13.13 H new ATOM 0 HG21 THR A 68 11.688 -1.082 12.260 1.00 13.33 H new ATOM 0 HG22 THR A 68 10.767 -2.488 12.844 1.00 13.33 H new ATOM 0 HG23 THR A 68 11.327 -2.430 11.156 1.00 13.33 H new ATOM 990 N LYS A 69 8.666 -4.188 9.895 1.00 41.43 N ATOM 991 CA LYS A 69 8.902 -5.002 8.714 1.00 3.53 C ATOM 992 C LYS A 69 10.153 -4.495 7.993 1.00 55.25 C ATOM 993 O LYS A 69 10.091 -4.127 6.821 1.00 54.45 O ATOM 994 CB LYS A 69 7.654 -5.038 7.830 1.00 21.13 C ATOM 995 CG LYS A 69 6.767 -6.233 8.184 1.00 73.42 C ATOM 996 CD LYS A 69 5.760 -5.865 9.276 1.00 63.12 C ATOM 997 CE LYS A 69 4.434 -5.405 8.667 1.00 62.42 C ATOM 998 NZ LYS A 69 4.660 -4.302 7.706 1.00 32.32 N ATOM 0 H LYS A 69 8.360 -4.708 10.717 1.00 41.43 H new ATOM 0 HA LYS A 69 9.094 -6.037 8.996 1.00 3.53 H new ATOM 0 HB2 LYS A 69 7.090 -4.113 7.952 1.00 21.13 H new ATOM 0 HB3 LYS A 69 7.948 -5.096 6.782 1.00 21.13 H new ATOM 0 HG2 LYS A 69 6.236 -6.572 7.295 1.00 73.42 H new ATOM 0 HG3 LYS A 69 7.387 -7.063 8.521 1.00 73.42 H new ATOM 0 HD2 LYS A 69 5.588 -6.726 9.922 1.00 63.12 H new ATOM 0 HD3 LYS A 69 6.171 -5.073 9.902 1.00 63.12 H new ATOM 0 HE2 LYS A 69 3.949 -6.241 8.163 1.00 62.42 H new ATOM 0 HE3 LYS A 69 3.759 -5.075 9.457 1.00 62.42 H new ATOM 0 HZ1 LYS A 69 3.745 -3.911 7.404 1.00 32.32 H new ATOM 0 HZ2 LYS A 69 5.222 -3.555 8.161 1.00 32.32 H new ATOM 0 HZ3 LYS A 69 5.172 -4.664 6.876 1.00 32.32 H new ATOM 1011 N THR A 70 11.258 -4.492 8.723 1.00 61.25 N ATOM 1012 CA THR A 70 12.521 -4.037 8.167 1.00 50.34 C ATOM 1013 C THR A 70 13.629 -5.050 8.459 1.00 30.31 C ATOM 1014 O THR A 70 13.714 -5.580 9.566 1.00 5.31 O ATOM 1015 CB THR A 70 12.809 -2.643 8.727 1.00 1.34 C ATOM 1016 OG1 THR A 70 11.850 -1.806 8.087 1.00 13.24 O ATOM 1017 CG2 THR A 70 14.157 -2.090 8.259 1.00 31.12 C ATOM 0 H THR A 70 11.305 -4.797 9.695 1.00 61.25 H new ATOM 0 HA THR A 70 12.471 -3.963 7.081 1.00 50.34 H new ATOM 0 HB THR A 70 12.790 -2.679 9.816 1.00 1.34 H new ATOM 0 HG1 THR A 70 10.962 -1.979 8.463 1.00 13.24 H new ATOM 0 HG21 THR A 70 14.311 -1.099 8.685 1.00 31.12 H new ATOM 0 HG22 THR A 70 14.956 -2.755 8.587 1.00 31.12 H new ATOM 0 HG23 THR A 70 14.165 -2.022 7.171 1.00 31.12 H new ATOM 1025 N PHE A 71 14.450 -5.290 7.447 1.00 32.11 N ATOM 1026 CA PHE A 71 15.549 -6.231 7.582 1.00 51.02 C ATOM 1027 C PHE A 71 16.895 -5.534 7.376 1.00 65.34 C ATOM 1028 O PHE A 71 17.023 -4.664 6.516 1.00 12.31 O ATOM 1029 CB PHE A 71 15.365 -7.292 6.495 1.00 43.22 C ATOM 1030 CG PHE A 71 13.966 -7.909 6.458 1.00 53.14 C ATOM 1031 CD1 PHE A 71 12.897 -7.149 6.097 1.00 12.14 C ATOM 1032 CD2 PHE A 71 13.790 -9.217 6.785 1.00 64.21 C ATOM 1033 CE1 PHE A 71 11.598 -7.722 6.063 1.00 51.50 C ATOM 1034 CE2 PHE A 71 12.491 -9.790 6.750 1.00 4.25 C ATOM 1035 CZ PHE A 71 11.423 -9.030 6.390 1.00 14.22 C ATOM 0 H PHE A 71 14.376 -4.849 6.530 1.00 32.11 H new ATOM 0 HA PHE A 71 15.545 -6.667 8.581 1.00 51.02 H new ATOM 0 HB2 PHE A 71 15.579 -6.844 5.525 1.00 43.22 H new ATOM 0 HB3 PHE A 71 16.097 -8.085 6.648 1.00 43.22 H new ATOM 0 HD1 PHE A 71 13.036 -6.110 5.836 1.00 12.14 H new ATOM 0 HD2 PHE A 71 14.639 -9.821 7.072 1.00 64.21 H new ATOM 0 HE1 PHE A 71 10.749 -7.119 5.777 1.00 51.50 H new ATOM 0 HE2 PHE A 71 12.352 -10.829 7.009 1.00 4.25 H new ATOM 0 HZ PHE A 71 10.435 -9.465 6.364 1.00 14.22 H new ATOM 1045 N THR A 72 17.866 -5.944 8.179 1.00 45.33 N ATOM 1046 CA THR A 72 19.199 -5.370 8.095 1.00 13.32 C ATOM 1047 C THR A 72 20.255 -6.476 8.073 1.00 44.23 C ATOM 1048 O THR A 72 20.194 -7.415 8.865 1.00 15.30 O ATOM 1049 CB THR A 72 19.367 -4.393 9.260 1.00 15.45 C ATOM 1050 OG1 THR A 72 18.093 -3.763 9.372 1.00 70.21 O ATOM 1051 CG2 THR A 72 20.322 -3.244 8.929 1.00 72.31 C ATOM 0 H THR A 72 17.757 -6.666 8.891 1.00 45.33 H new ATOM 0 HA THR A 72 19.334 -4.817 7.166 1.00 13.32 H new ATOM 0 HB THR A 72 19.735 -4.931 10.133 1.00 15.45 H new ATOM 0 HG1 THR A 72 18.112 -3.114 10.106 1.00 70.21 H new ATOM 0 HG21 THR A 72 20.405 -2.580 9.790 1.00 72.31 H new ATOM 0 HG22 THR A 72 21.305 -3.647 8.685 1.00 72.31 H new ATOM 0 HG23 THR A 72 19.937 -2.685 8.076 1.00 72.31 H new ATOM 1059 N VAL A 73 21.201 -6.328 7.156 1.00 31.34 N ATOM 1060 CA VAL A 73 22.270 -7.303 7.020 1.00 32.22 C ATOM 1061 C VAL A 73 23.599 -6.655 7.413 1.00 13.23 C ATOM 1062 O VAL A 73 24.032 -5.689 6.786 1.00 32.24 O ATOM 1063 CB VAL A 73 22.280 -7.874 5.601 1.00 52.14 C ATOM 1064 CG1 VAL A 73 23.549 -7.461 4.853 1.00 63.50 C ATOM 1065 CG2 VAL A 73 22.125 -9.396 5.620 1.00 10.15 C ATOM 0 H VAL A 73 21.249 -5.548 6.501 1.00 31.34 H new ATOM 0 HA VAL A 73 22.107 -8.144 7.693 1.00 32.22 H new ATOM 0 HB VAL A 73 21.426 -7.458 5.067 1.00 52.14 H new ATOM 0 HG11 VAL A 73 23.531 -7.880 3.847 1.00 63.50 H new ATOM 0 HG12 VAL A 73 23.598 -6.374 4.792 1.00 63.50 H new ATOM 0 HG13 VAL A 73 24.423 -7.835 5.386 1.00 63.50 H new ATOM 0 HG21 VAL A 73 22.135 -9.776 4.598 1.00 10.15 H new ATOM 0 HG22 VAL A 73 22.949 -9.839 6.180 1.00 10.15 H new ATOM 0 HG23 VAL A 73 21.180 -9.660 6.095 1.00 10.15 H new ATOM 1075 N THR A 74 24.209 -7.212 8.449 1.00 13.22 N ATOM 1076 CA THR A 74 25.479 -6.700 8.933 1.00 5.13 C ATOM 1077 C THR A 74 26.612 -7.667 8.584 1.00 30.51 C ATOM 1078 O THR A 74 26.607 -8.818 9.020 1.00 5.55 O ATOM 1079 CB THR A 74 25.343 -6.440 10.435 1.00 64.30 C ATOM 1080 OG1 THR A 74 24.026 -5.916 10.579 1.00 62.03 O ATOM 1081 CG2 THR A 74 26.250 -5.307 10.918 1.00 44.32 C ATOM 0 H THR A 74 23.847 -8.013 8.966 1.00 13.22 H new ATOM 0 HA THR A 74 25.736 -5.759 8.448 1.00 5.13 H new ATOM 0 HB THR A 74 25.579 -7.352 10.984 1.00 64.30 H new ATOM 0 HG1 THR A 74 23.853 -5.721 11.524 1.00 62.03 H new ATOM 0 HG21 THR A 74 26.114 -5.164 11.990 1.00 44.32 H new ATOM 0 HG22 THR A 74 27.290 -5.562 10.715 1.00 44.32 H new ATOM 0 HG23 THR A 74 25.993 -4.387 10.394 1.00 44.32 H new ATOM 1089 N GLU A 75 27.555 -7.166 7.800 1.00 2.15 N ATOM 1090 CA GLU A 75 28.692 -7.971 7.388 1.00 72.44 C ATOM 1091 C GLU A 75 29.803 -7.898 8.436 1.00 5.22 C ATOM 1092 O GLU A 75 29.925 -6.903 9.149 1.00 55.41 O ATOM 1093 CB GLU A 75 29.204 -7.534 6.014 1.00 50.30 C ATOM 1094 CG GLU A 75 29.753 -8.726 5.228 1.00 73.22 C ATOM 1095 CD GLU A 75 31.203 -9.019 5.617 1.00 43.43 C ATOM 1096 OE1 GLU A 75 32.128 -8.398 5.072 1.00 43.10 O ATOM 1097 OE2 GLU A 75 31.353 -9.927 6.521 1.00 50.42 O ATOM 0 H GLU A 75 27.555 -6.212 7.439 1.00 2.15 H new ATOM 0 HA GLU A 75 28.366 -9.008 7.305 1.00 72.44 H new ATOM 0 HB2 GLU A 75 28.395 -7.065 5.453 1.00 50.30 H new ATOM 0 HB3 GLU A 75 29.985 -6.783 6.135 1.00 50.30 H new ATOM 0 HG2 GLU A 75 29.137 -9.605 5.417 1.00 73.22 H new ATOM 0 HG3 GLU A 75 29.694 -8.520 4.159 1.00 73.22 H new