USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=27 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 23 LYS NZ :NH3+ 166:sc= -0.989 (180deg=-1.84) USER MOD Set 1.2: A 68 THR OG1 : rot -31:sc= 0.735! USER MOD Set 1.3: A 70 THR OG1 : rot 70:sc= 0.978 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.0891 K(o=0.61,f=-0.82) USER MOD Set 2.2: A 54 ASN : amide:sc= 0.697 K(o=0.61,f=-0.8) USER MOD Set 3.1: A 35 THR OG1 : rot 178:sc= -0.481! USER MOD Set 3.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 20 MET CE :methyl 171:sc= -0.971 (180deg=-1.09) USER MOD Set 4.2: A 22 TYR OH : rot -128:sc= -0.113 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0.0147 USER MOD Set 5.2: A 6 ASN :FLIP amide:sc= -2.23! F(o=-3.3,f=-2.2!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.44) USER MOD Single : A 11 TYR OH : rot -60:sc= 1.04 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -80:sc= -0.0208 USER MOD Single : A 27 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.28) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0.822 (180deg=0.62) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.0012 (180deg=-0.562) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= -1.09 (180deg=-1.72) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.722 (180deg=0.717) USER MOD Single : A 56 ASN : amide:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -172:sc= -1.85 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc=-0.00389 (180deg=-0.106) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0799 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.708 -0.708 -3.234 1.00 71.52 N ATOM 12 CA TYR A 2 0.158 -1.821 -3.989 1.00 75.40 C ATOM 13 C TYR A 2 1.207 -2.419 -4.928 1.00 60.51 C ATOM 14 O TYR A 2 2.226 -1.790 -5.208 1.00 11.43 O ATOM 15 CB TYR A 2 -0.985 -1.240 -4.824 1.00 60.34 C ATOM 16 CG TYR A 2 -2.291 -1.054 -4.049 1.00 24.12 C ATOM 17 CD1 TYR A 2 -2.884 -2.134 -3.426 1.00 44.05 C ATOM 18 CD2 TYR A 2 -2.875 0.193 -3.971 1.00 54.55 C ATOM 19 CE1 TYR A 2 -4.112 -1.959 -2.697 1.00 14.25 C ATOM 20 CE2 TYR A 2 -4.104 0.369 -3.242 1.00 32.35 C ATOM 21 CZ TYR A 2 -4.662 -0.716 -2.640 1.00 71.10 C ATOM 22 OH TYR A 2 -5.823 -0.551 -1.951 1.00 3.44 O ATOM 0 HA TYR A 2 -0.175 -2.613 -3.318 1.00 75.40 H new ATOM 0 HB2 TYR A 2 -0.673 -0.276 -5.227 1.00 60.34 H new ATOM 0 HB3 TYR A 2 -1.170 -1.896 -5.674 1.00 60.34 H new ATOM 0 HD1 TYR A 2 -2.426 -3.110 -3.486 1.00 44.05 H new ATOM 0 HD2 TYR A 2 -2.410 1.038 -4.457 1.00 54.55 H new ATOM 0 HE1 TYR A 2 -4.587 -2.796 -2.206 1.00 14.25 H new ATOM 0 HE2 TYR A 2 -4.572 1.340 -3.175 1.00 32.35 H new ATOM 0 HH TYR A 2 -6.098 0.388 -1.994 1.00 3.44 H new ATOM 32 N VAL A 3 0.922 -3.628 -5.389 1.00 71.40 N ATOM 33 CA VAL A 3 1.829 -4.319 -6.291 1.00 15.42 C ATOM 34 C VAL A 3 1.036 -4.877 -7.475 1.00 3.13 C ATOM 35 O VAL A 3 -0.034 -5.441 -7.362 1.00 61.31 O ATOM 36 CB VAL A 3 2.605 -5.395 -5.530 1.00 34.33 C ATOM 37 CG1 VAL A 3 2.946 -6.574 -6.443 1.00 43.15 C ATOM 38 CG2 VAL A 3 3.867 -4.813 -4.891 1.00 11.12 C ATOM 0 H VAL A 3 0.076 -4.147 -5.155 1.00 71.40 H new ATOM 0 HA VAL A 3 2.569 -3.627 -6.693 1.00 15.42 H new ATOM 0 HB VAL A 3 1.965 -5.766 -4.729 1.00 34.33 H new ATOM 0 HG11 VAL A 3 3.498 -7.325 -5.877 1.00 43.15 H new ATOM 0 HG12 VAL A 3 2.026 -7.014 -6.828 1.00 43.15 H new ATOM 0 HG13 VAL A 3 3.558 -6.225 -7.275 1.00 43.15 H new ATOM 0 HG21 VAL A 3 4.400 -5.599 -4.356 1.00 11.12 H new ATOM 0 HG22 VAL A 3 4.512 -4.401 -5.668 1.00 11.12 H new ATOM 0 HG23 VAL A 3 3.590 -4.023 -4.193 1.00 11.12 H new ATOM 48 N ASP A 4 1.594 -4.706 -8.641 1.00 43.53 N ATOM 49 CA ASP A 4 0.924 -5.210 -9.873 1.00 24.21 C ATOM 50 C ASP A 4 1.513 -6.568 -10.271 1.00 4.45 C ATOM 51 O ASP A 4 2.712 -6.757 -10.067 1.00 35.34 O ATOM 52 CB ASP A 4 1.223 -4.161 -10.944 1.00 41.31 C ATOM 53 CG ASP A 4 0.612 -4.600 -12.275 1.00 75.14 C ATOM 54 OD1 ASP A 4 -0.074 -5.610 -12.286 1.00 42.11 O ATOM 55 OD2 ASP A 4 0.839 -3.921 -13.264 1.00 21.25 O ATOM 0 H ASP A 4 2.487 -4.238 -8.795 1.00 43.53 H new ATOM 0 HA ASP A 4 -0.147 -5.354 -9.734 1.00 24.21 H new ATOM 0 HB2 ASP A 4 0.815 -3.195 -10.646 1.00 41.31 H new ATOM 0 HB3 ASP A 4 2.300 -4.033 -11.051 1.00 41.31 H new ATOM 60 N THR A 5 0.693 -7.459 -10.807 1.00 62.11 N ATOM 61 CA THR A 5 1.172 -8.772 -11.206 1.00 40.45 C ATOM 62 C THR A 5 1.297 -8.853 -12.729 1.00 61.01 C ATOM 63 O THR A 5 1.444 -9.940 -13.286 1.00 53.23 O ATOM 64 CB THR A 5 0.226 -9.819 -10.618 1.00 35.54 C ATOM 65 OG1 THR A 5 -1.069 -9.386 -11.025 1.00 72.14 O ATOM 66 CG2 THR A 5 0.172 -9.767 -9.089 1.00 72.04 C ATOM 0 H THR A 5 -0.300 -7.298 -10.975 1.00 62.11 H new ATOM 0 HA THR A 5 2.173 -8.963 -10.818 1.00 40.45 H new ATOM 0 HB THR A 5 0.542 -10.812 -10.937 1.00 35.54 H new ATOM 0 HG1 THR A 5 -1.744 -10.011 -10.687 1.00 72.14 H new ATOM 0 HG21 THR A 5 -0.514 -10.531 -8.723 1.00 72.04 H new ATOM 0 HG22 THR A 5 1.167 -9.949 -8.683 1.00 72.04 H new ATOM 0 HG23 THR A 5 -0.176 -8.784 -8.770 1.00 72.04 H new ATOM 74 N ASN A 6 1.235 -7.689 -13.359 1.00 74.20 N ATOM 75 CA ASN A 6 1.339 -7.615 -14.806 1.00 40.04 C ATOM 76 C ASN A 6 2.664 -6.949 -15.184 1.00 73.34 C ATOM 77 O ASN A 6 3.141 -7.101 -16.308 1.00 75.21 O ATOM 78 CB ASN A 6 0.203 -6.778 -15.398 1.00 45.13 C ATOM 79 CG ASN A 6 -1.124 -7.083 -14.701 1.00 3.01 C ATOM 80 OD1 ASN A 6 -1.259 -8.352 -14.328 1.00 4.21 O flip ATOM 81 ND2 ASN A 6 -1.969 -6.223 -14.514 1.00 35.22 N flip ATOM 0 H ASN A 6 1.114 -6.790 -12.894 1.00 74.20 H new ATOM 0 HA ASN A 6 1.283 -8.629 -15.201 1.00 40.04 H new ATOM 0 HB2 ASN A 6 0.436 -5.718 -15.296 1.00 45.13 H new ATOM 0 HB3 ASN A 6 0.113 -6.983 -16.465 1.00 45.13 H new ATOM 0 HD21 ASN A 6 -1.801 -5.267 -14.826 1.00 35.22 H new ATOM 0 HD22 ASN A 6 -2.843 -6.460 -14.045 1.00 35.22 H new ATOM 88 N ASN A 7 3.221 -6.226 -14.224 1.00 52.24 N ATOM 89 CA ASN A 7 4.481 -5.536 -14.442 1.00 61.44 C ATOM 90 C ASN A 7 4.253 -4.352 -15.383 1.00 43.35 C ATOM 91 O ASN A 7 5.172 -3.921 -16.078 1.00 42.52 O ATOM 92 CB ASN A 7 5.511 -6.464 -15.090 1.00 42.44 C ATOM 93 CG ASN A 7 5.539 -7.825 -14.393 1.00 75.23 C ATOM 94 OD1 ASN A 7 5.227 -8.854 -14.971 1.00 10.31 O ATOM 95 ND2 ASN A 7 5.928 -7.775 -13.122 1.00 54.45 N ATOM 0 H ASN A 7 2.823 -6.103 -13.293 1.00 52.24 H new ATOM 0 HA ASN A 7 4.855 -5.202 -13.474 1.00 61.44 H new ATOM 0 HB2 ASN A 7 5.273 -6.597 -16.145 1.00 42.44 H new ATOM 0 HB3 ASN A 7 6.499 -6.006 -15.042 1.00 42.44 H new ATOM 0 HD21 ASN A 7 5.979 -8.631 -12.570 1.00 54.45 H new ATOM 0 HD22 ASN A 7 6.175 -6.880 -12.699 1.00 54.45 H new ATOM 102 N ASP A 8 3.023 -3.859 -15.376 1.00 24.02 N ATOM 103 CA ASP A 8 2.663 -2.733 -16.220 1.00 41.40 C ATOM 104 C ASP A 8 2.833 -1.434 -15.430 1.00 11.43 C ATOM 105 O ASP A 8 3.025 -0.368 -16.014 1.00 23.24 O ATOM 106 CB ASP A 8 1.204 -2.825 -16.669 1.00 35.50 C ATOM 107 CG ASP A 8 0.182 -2.299 -15.659 1.00 74.50 C ATOM 108 OD1 ASP A 8 0.253 -1.088 -15.358 1.00 21.53 O ATOM 109 OD2 ASP A 8 -0.648 -3.120 -15.211 1.00 60.32 O ATOM 0 H ASP A 8 2.263 -4.219 -14.799 1.00 24.02 H new ATOM 0 HA ASP A 8 3.311 -2.748 -17.096 1.00 41.40 H new ATOM 0 HB2 ASP A 8 1.091 -2.270 -17.600 1.00 35.50 H new ATOM 0 HB3 ASP A 8 0.972 -3.867 -16.889 1.00 35.50 H new ATOM 114 N GLY A 9 2.756 -1.565 -14.114 1.00 14.24 N ATOM 115 CA GLY A 9 2.898 -0.415 -13.237 1.00 43.42 C ATOM 116 C GLY A 9 1.540 0.228 -12.950 1.00 52.13 C ATOM 117 O GLY A 9 1.440 1.448 -12.827 1.00 32.12 O ATOM 0 H GLY A 9 2.597 -2.451 -13.633 1.00 14.24 H new ATOM 0 HA2 GLY A 9 3.364 -0.723 -12.301 1.00 43.42 H new ATOM 0 HA3 GLY A 9 3.561 0.318 -13.697 1.00 43.42 H new ATOM 121 N ALA A 10 0.528 -0.621 -12.853 1.00 31.54 N ATOM 122 CA ALA A 10 -0.820 -0.152 -12.583 1.00 14.34 C ATOM 123 C ALA A 10 -1.543 -1.170 -11.699 1.00 32.03 C ATOM 124 O ALA A 10 -1.405 -2.376 -11.895 1.00 23.44 O ATOM 125 CB ALA A 10 -1.550 0.094 -13.905 1.00 2.31 C ATOM 0 H ALA A 10 0.615 -1.632 -12.957 1.00 31.54 H new ATOM 0 HA ALA A 10 -0.795 0.795 -12.043 1.00 14.34 H new ATOM 0 HB1 ALA A 10 -2.561 0.446 -13.702 1.00 2.31 H new ATOM 0 HB2 ALA A 10 -1.013 0.846 -14.483 1.00 2.31 H new ATOM 0 HB3 ALA A 10 -1.596 -0.835 -14.473 1.00 2.31 H new ATOM 131 N TYR A 11 -2.299 -0.647 -10.744 1.00 42.35 N ATOM 132 CA TYR A 11 -3.044 -1.495 -9.830 1.00 24.12 C ATOM 133 C TYR A 11 -4.511 -1.599 -10.250 1.00 70.54 C ATOM 134 O TYR A 11 -5.243 -0.612 -10.213 1.00 42.54 O ATOM 135 CB TYR A 11 -2.965 -0.813 -8.463 1.00 4.23 C ATOM 136 CG TYR A 11 -1.537 -0.561 -7.974 1.00 63.24 C ATOM 137 CD1 TYR A 11 -0.611 -1.585 -7.992 1.00 1.21 C ATOM 138 CD2 TYR A 11 -1.174 0.689 -7.516 1.00 52.24 C ATOM 139 CE1 TYR A 11 0.733 -1.348 -7.532 1.00 40.04 C ATOM 140 CE2 TYR A 11 0.170 0.926 -7.057 1.00 32.01 C ATOM 141 CZ TYR A 11 1.057 -0.104 -7.088 1.00 21.34 C ATOM 142 OH TYR A 11 2.326 0.119 -6.654 1.00 4.35 O ATOM 0 H TYR A 11 -2.411 0.354 -10.584 1.00 42.35 H new ATOM 0 HA TYR A 11 -2.630 -2.503 -9.819 1.00 24.12 H new ATOM 0 HB2 TYR A 11 -3.494 0.139 -8.512 1.00 4.23 H new ATOM 0 HB3 TYR A 11 -3.485 -1.430 -7.730 1.00 4.23 H new ATOM 0 HD1 TYR A 11 -0.894 -2.563 -8.351 1.00 1.21 H new ATOM 0 HD2 TYR A 11 -1.898 1.490 -7.502 1.00 52.24 H new ATOM 0 HE1 TYR A 11 1.467 -2.140 -7.539 1.00 40.04 H new ATOM 0 HE2 TYR A 11 0.467 1.900 -6.696 1.00 32.01 H new ATOM 0 HH TYR A 11 2.522 -0.474 -5.899 1.00 4.35 H new ATOM 152 N GLU A 12 -4.897 -2.805 -10.641 1.00 32.34 N ATOM 153 CA GLU A 12 -6.264 -3.052 -11.068 1.00 11.42 C ATOM 154 C GLU A 12 -6.602 -4.538 -10.936 1.00 64.12 C ATOM 155 O GLU A 12 -6.023 -5.373 -11.629 1.00 71.35 O ATOM 156 CB GLU A 12 -6.487 -2.563 -12.500 1.00 72.45 C ATOM 157 CG GLU A 12 -5.822 -3.502 -13.509 1.00 74.14 C ATOM 158 CD GLU A 12 -4.375 -3.798 -13.112 1.00 21.24 C ATOM 159 OE1 GLU A 12 -3.658 -2.820 -12.809 1.00 13.14 O ATOM 160 OE2 GLU A 12 -4.018 -4.996 -13.120 1.00 21.25 O ATOM 0 H GLU A 12 -4.287 -3.622 -10.671 1.00 32.34 H new ATOM 0 HA GLU A 12 -6.934 -2.489 -10.418 1.00 11.42 H new ATOM 0 HB2 GLU A 12 -7.556 -2.501 -12.705 1.00 72.45 H new ATOM 0 HB3 GLU A 12 -6.082 -1.557 -12.612 1.00 72.45 H new ATOM 0 HG2 GLU A 12 -6.384 -4.434 -13.569 1.00 74.14 H new ATOM 0 HG3 GLU A 12 -5.846 -3.051 -14.501 1.00 74.14 H new ATOM 167 N GLY A 13 -7.537 -4.823 -10.042 1.00 3.12 N ATOM 168 CA GLY A 13 -7.958 -6.194 -9.811 1.00 31.24 C ATOM 169 C GLY A 13 -7.460 -6.700 -8.455 1.00 41.31 C ATOM 170 O GLY A 13 -7.784 -6.125 -7.417 1.00 30.21 O ATOM 0 H GLY A 13 -8.015 -4.128 -9.469 1.00 3.12 H new ATOM 0 HA2 GLY A 13 -9.046 -6.255 -9.849 1.00 31.24 H new ATOM 0 HA3 GLY A 13 -7.575 -6.835 -10.605 1.00 31.24 H new ATOM 174 N ASP A 14 -6.680 -7.769 -8.509 1.00 30.43 N ATOM 175 CA ASP A 14 -6.134 -8.359 -7.298 1.00 42.11 C ATOM 176 C ASP A 14 -4.943 -7.524 -6.822 1.00 35.03 C ATOM 177 O ASP A 14 -4.518 -7.642 -5.674 1.00 11.54 O ATOM 178 CB ASP A 14 -5.640 -9.784 -7.554 1.00 4.01 C ATOM 179 CG ASP A 14 -6.721 -10.776 -7.986 1.00 54.22 C ATOM 180 OD1 ASP A 14 -6.843 -11.874 -7.423 1.00 63.04 O ATOM 181 OD2 ASP A 14 -7.470 -10.377 -8.958 1.00 12.52 O ATOM 0 H ASP A 14 -6.413 -8.242 -9.372 1.00 30.43 H new ATOM 0 HA ASP A 14 -6.924 -8.381 -6.547 1.00 42.11 H new ATOM 0 HB2 ASP A 14 -4.869 -9.752 -8.324 1.00 4.01 H new ATOM 0 HB3 ASP A 14 -5.168 -10.157 -6.645 1.00 4.01 H new ATOM 187 N GLU A 15 -4.439 -6.699 -7.728 1.00 75.40 N ATOM 188 CA GLU A 15 -3.306 -5.845 -7.415 1.00 35.22 C ATOM 189 C GLU A 15 -3.709 -4.784 -6.389 1.00 14.10 C ATOM 190 O GLU A 15 -2.859 -4.062 -5.870 1.00 60.43 O ATOM 191 CB GLU A 15 -2.742 -5.198 -8.681 1.00 3.54 C ATOM 192 CG GLU A 15 -2.461 -6.249 -9.756 1.00 40.01 C ATOM 193 CD GLU A 15 -2.445 -5.617 -11.150 1.00 30.25 C ATOM 194 OE1 GLU A 15 -2.545 -4.373 -11.210 1.00 12.34 O ATOM 195 OE2 GLU A 15 -2.333 -6.393 -12.123 1.00 71.21 O ATOM 0 H GLU A 15 -4.795 -6.604 -8.679 1.00 75.40 H new ATOM 0 HA GLU A 15 -2.519 -6.462 -6.980 1.00 35.22 H new ATOM 0 HB2 GLU A 15 -3.449 -4.462 -9.063 1.00 3.54 H new ATOM 0 HB3 GLU A 15 -1.823 -4.663 -8.442 1.00 3.54 H new ATOM 0 HG2 GLU A 15 -1.502 -6.728 -9.559 1.00 40.01 H new ATOM 0 HG3 GLU A 15 -3.222 -7.029 -9.715 1.00 40.01 H new ATOM 202 N LEU A 16 -5.007 -4.723 -6.127 1.00 3.51 N ATOM 203 CA LEU A 16 -5.533 -3.762 -5.172 1.00 43.53 C ATOM 204 C LEU A 16 -6.026 -4.503 -3.928 1.00 53.13 C ATOM 205 O LEU A 16 -6.959 -4.054 -3.263 1.00 61.43 O ATOM 206 CB LEU A 16 -6.600 -2.883 -5.829 1.00 22.42 C ATOM 207 CG LEU A 16 -6.123 -1.997 -6.981 1.00 0.41 C ATOM 208 CD1 LEU A 16 -7.277 -1.659 -7.927 1.00 61.51 C ATOM 209 CD2 LEU A 16 -5.428 -0.740 -6.454 1.00 1.41 C ATOM 0 H LEU A 16 -5.709 -5.323 -6.559 1.00 3.51 H new ATOM 0 HA LEU A 16 -4.748 -3.080 -4.846 1.00 43.53 H new ATOM 0 HB2 LEU A 16 -7.397 -3.528 -6.199 1.00 22.42 H new ATOM 0 HB3 LEU A 16 -7.038 -2.244 -5.063 1.00 22.42 H new ATOM 0 HG LEU A 16 -5.386 -2.555 -7.558 1.00 0.41 H new ATOM 0 HD11 LEU A 16 -6.911 -1.028 -8.737 1.00 61.51 H new ATOM 0 HD12 LEU A 16 -7.689 -2.579 -8.342 1.00 61.51 H new ATOM 0 HD13 LEU A 16 -8.055 -1.129 -7.377 1.00 61.51 H new ATOM 0 HD21 LEU A 16 -5.099 -0.127 -7.293 1.00 1.41 H new ATOM 0 HD22 LEU A 16 -6.125 -0.169 -5.840 1.00 1.41 H new ATOM 0 HD23 LEU A 16 -4.565 -1.026 -5.853 1.00 1.41 H new ATOM 221 N SER A 17 -5.379 -5.625 -3.651 1.00 43.04 N ATOM 222 CA SER A 17 -5.740 -6.433 -2.499 1.00 11.21 C ATOM 223 C SER A 17 -4.947 -5.978 -1.272 1.00 34.12 C ATOM 224 O SER A 17 -5.358 -6.221 -0.138 1.00 51.11 O ATOM 225 CB SER A 17 -5.494 -7.919 -2.769 1.00 13.41 C ATOM 226 OG SER A 17 -5.856 -8.731 -1.655 1.00 41.41 O ATOM 0 H SER A 17 -4.606 -5.994 -4.205 1.00 43.04 H new ATOM 0 HA SER A 17 -6.804 -6.298 -2.307 1.00 11.21 H new ATOM 0 HB2 SER A 17 -6.066 -8.228 -3.644 1.00 13.41 H new ATOM 0 HB3 SER A 17 -4.441 -8.075 -3.005 1.00 13.41 H new ATOM 0 HG SER A 17 -5.686 -9.672 -1.867 1.00 41.41 H new ATOM 232 N GLY A 18 -3.825 -5.326 -1.540 1.00 35.40 N ATOM 233 CA GLY A 18 -2.971 -4.836 -0.472 1.00 15.52 C ATOM 234 C GLY A 18 -1.637 -5.583 -0.449 1.00 61.51 C ATOM 235 O GLY A 18 -1.606 -6.809 -0.551 1.00 52.14 O ATOM 0 H GLY A 18 -3.488 -5.126 -2.482 1.00 35.40 H new ATOM 0 HA2 GLY A 18 -2.792 -3.769 -0.606 1.00 15.52 H new ATOM 0 HA3 GLY A 18 -3.476 -4.957 0.486 1.00 15.52 H new ATOM 239 N THR A 19 -0.566 -4.815 -0.314 1.00 54.45 N ATOM 240 CA THR A 19 0.768 -5.389 -0.277 1.00 72.11 C ATOM 241 C THR A 19 1.525 -4.900 0.959 1.00 13.41 C ATOM 242 O THR A 19 1.068 -3.991 1.651 1.00 24.14 O ATOM 243 CB THR A 19 1.467 -5.046 -1.594 1.00 5.34 C ATOM 244 OG1 THR A 19 0.471 -5.273 -2.586 1.00 55.51 O ATOM 245 CG2 THR A 19 2.576 -6.040 -1.945 1.00 32.44 C ATOM 0 H THR A 19 -0.595 -3.799 -0.229 1.00 54.45 H new ATOM 0 HA THR A 19 0.729 -6.475 -0.187 1.00 72.11 H new ATOM 0 HB THR A 19 1.886 -4.042 -1.531 1.00 5.34 H new ATOM 0 HG1 THR A 19 0.415 -6.232 -2.780 1.00 55.51 H new ATOM 0 HG21 THR A 19 3.039 -5.750 -2.888 1.00 32.44 H new ATOM 0 HG22 THR A 19 3.328 -6.039 -1.156 1.00 32.44 H new ATOM 0 HG23 THR A 19 2.152 -7.039 -2.041 1.00 32.44 H new ATOM 253 N MET A 20 2.669 -5.524 1.199 1.00 53.45 N ATOM 254 CA MET A 20 3.493 -5.163 2.339 1.00 4.12 C ATOM 255 C MET A 20 4.849 -4.616 1.885 1.00 35.51 C ATOM 256 O MET A 20 5.551 -5.258 1.105 1.00 33.02 O ATOM 257 CB MET A 20 3.709 -6.393 3.223 1.00 71.11 C ATOM 258 CG MET A 20 2.372 -6.982 3.679 1.00 41.42 C ATOM 259 SD MET A 20 2.654 -8.316 4.831 1.00 54.33 S ATOM 260 CE MET A 20 2.373 -9.715 3.759 1.00 64.22 C ATOM 0 H MET A 20 3.044 -6.277 0.623 1.00 53.45 H new ATOM 0 HA MET A 20 2.979 -4.385 2.903 1.00 4.12 H new ATOM 0 HB2 MET A 20 4.274 -7.146 2.673 1.00 71.11 H new ATOM 0 HB3 MET A 20 4.306 -6.120 4.093 1.00 71.11 H new ATOM 0 HG2 MET A 20 1.765 -6.208 4.148 1.00 41.42 H new ATOM 0 HG3 MET A 20 1.813 -7.347 2.817 1.00 41.42 H new ATOM 0 HE1 MET A 20 2.662 -10.631 4.273 1.00 64.22 H new ATOM 0 HE2 MET A 20 1.317 -9.765 3.495 1.00 64.22 H new ATOM 0 HE3 MET A 20 2.968 -9.604 2.853 1.00 64.22 H new ATOM 270 N GLU A 21 5.175 -3.437 2.393 1.00 63.12 N ATOM 271 CA GLU A 21 6.434 -2.797 2.049 1.00 32.22 C ATOM 272 C GLU A 21 7.467 -3.030 3.154 1.00 74.03 C ATOM 273 O GLU A 21 7.219 -2.716 4.317 1.00 55.43 O ATOM 274 CB GLU A 21 6.236 -1.302 1.790 1.00 71.41 C ATOM 275 CG GLU A 21 7.565 -0.550 1.880 1.00 12.42 C ATOM 276 CD GLU A 21 7.912 -0.223 3.334 1.00 2.11 C ATOM 277 OE1 GLU A 21 7.152 0.488 4.008 1.00 4.23 O ATOM 278 OE2 GLU A 21 9.016 -0.738 3.760 1.00 52.52 O ATOM 0 H GLU A 21 4.590 -2.908 3.040 1.00 63.12 H new ATOM 0 HA GLU A 21 6.808 -3.245 1.129 1.00 32.22 H new ATOM 0 HB2 GLU A 21 5.797 -1.155 0.803 1.00 71.41 H new ATOM 0 HB3 GLU A 21 5.533 -0.893 2.516 1.00 71.41 H new ATOM 0 HG2 GLU A 21 8.359 -1.153 1.440 1.00 12.42 H new ATOM 0 HG3 GLU A 21 7.506 0.371 1.300 1.00 12.42 H new ATOM 286 N TYR A 22 8.603 -3.579 2.751 1.00 61.11 N ATOM 287 CA TYR A 22 9.675 -3.858 3.692 1.00 15.20 C ATOM 288 C TYR A 22 10.935 -3.066 3.338 1.00 11.21 C ATOM 289 O TYR A 22 11.187 -2.784 2.168 1.00 63.44 O ATOM 290 CB TYR A 22 9.972 -5.353 3.561 1.00 5.33 C ATOM 291 CG TYR A 22 8.731 -6.243 3.636 1.00 72.54 C ATOM 292 CD1 TYR A 22 7.984 -6.483 2.500 1.00 65.34 C ATOM 293 CD2 TYR A 22 8.357 -6.807 4.839 1.00 71.25 C ATOM 294 CE1 TYR A 22 6.816 -7.322 2.570 1.00 52.34 C ATOM 295 CE2 TYR A 22 7.188 -7.646 4.908 1.00 3.45 C ATOM 296 CZ TYR A 22 6.475 -7.861 3.771 1.00 64.54 C ATOM 297 OH TYR A 22 5.372 -8.653 3.837 1.00 73.34 O ATOM 0 H TYR A 22 8.805 -3.838 1.785 1.00 61.11 H new ATOM 0 HA TYR A 22 9.381 -3.577 4.703 1.00 15.20 H new ATOM 0 HB2 TYR A 22 10.477 -5.531 2.612 1.00 5.33 H new ATOM 0 HB3 TYR A 22 10.665 -5.646 4.350 1.00 5.33 H new ATOM 0 HD1 TYR A 22 8.276 -6.041 1.559 1.00 65.34 H new ATOM 0 HD2 TYR A 22 8.941 -6.619 5.728 1.00 71.25 H new ATOM 0 HE1 TYR A 22 6.224 -7.519 1.688 1.00 52.34 H new ATOM 0 HE2 TYR A 22 6.885 -8.094 5.843 1.00 3.45 H new ATOM 0 HH TYR A 22 4.786 -8.339 4.557 1.00 73.34 H new ATOM 307 N LYS A 23 11.693 -2.729 4.371 1.00 11.22 N ATOM 308 CA LYS A 23 12.921 -1.975 4.184 1.00 11.10 C ATOM 309 C LYS A 23 14.118 -2.921 4.300 1.00 12.23 C ATOM 310 O LYS A 23 14.365 -3.487 5.364 1.00 71.11 O ATOM 311 CB LYS A 23 12.976 -0.792 5.152 1.00 11.54 C ATOM 312 CG LYS A 23 13.732 0.387 4.536 1.00 61.05 C ATOM 313 CD LYS A 23 14.501 1.166 5.605 1.00 34.42 C ATOM 314 CE LYS A 23 13.616 2.238 6.244 1.00 1.11 C ATOM 315 NZ LYS A 23 12.312 1.664 6.644 1.00 71.22 N ATOM 0 H LYS A 23 11.480 -2.964 5.340 1.00 11.22 H new ATOM 0 HA LYS A 23 12.953 -1.541 3.185 1.00 11.10 H new ATOM 0 HB2 LYS A 23 11.964 -0.483 5.412 1.00 11.54 H new ATOM 0 HB3 LYS A 23 13.464 -1.098 6.078 1.00 11.54 H new ATOM 0 HG2 LYS A 23 14.425 0.023 3.778 1.00 61.05 H new ATOM 0 HG3 LYS A 23 13.029 1.051 4.033 1.00 61.05 H new ATOM 0 HD2 LYS A 23 14.860 0.480 6.373 1.00 34.42 H new ATOM 0 HD3 LYS A 23 15.379 1.633 5.159 1.00 34.42 H new ATOM 0 HE2 LYS A 23 14.117 2.659 7.116 1.00 1.11 H new ATOM 0 HE3 LYS A 23 13.459 3.055 5.540 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 11.822 2.326 7.279 1.00 71.22 H new ATOM 0 HZ2 LYS A 23 11.730 1.501 5.798 1.00 71.22 H new ATOM 0 HZ3 LYS A 23 12.467 0.761 7.137 1.00 71.22 H new ATOM 328 N LEU A 24 14.829 -3.063 3.192 1.00 41.34 N ATOM 329 CA LEU A 24 15.994 -3.930 3.156 1.00 61.33 C ATOM 330 C LEU A 24 17.258 -3.088 3.343 1.00 33.21 C ATOM 331 O LEU A 24 17.594 -2.268 2.490 1.00 71.41 O ATOM 332 CB LEU A 24 15.998 -4.769 1.876 1.00 23.12 C ATOM 333 CG LEU A 24 17.239 -5.635 1.646 1.00 75.11 C ATOM 334 CD1 LEU A 24 18.320 -4.855 0.895 1.00 31.44 C ATOM 335 CD2 LEU A 24 17.758 -6.211 2.965 1.00 40.41 C ATOM 0 H LEU A 24 14.621 -2.592 2.312 1.00 41.34 H new ATOM 0 HA LEU A 24 15.962 -4.645 3.979 1.00 61.33 H new ATOM 0 HB2 LEU A 24 15.123 -5.419 1.888 1.00 23.12 H new ATOM 0 HB3 LEU A 24 15.885 -4.098 1.025 1.00 23.12 H new ATOM 0 HG LEU A 24 16.955 -6.479 1.017 1.00 75.11 H new ATOM 0 HD11 LEU A 24 19.191 -5.493 0.745 1.00 31.44 H new ATOM 0 HD12 LEU A 24 17.933 -4.536 -0.072 1.00 31.44 H new ATOM 0 HD13 LEU A 24 18.608 -3.980 1.477 1.00 31.44 H new ATOM 0 HD21 LEU A 24 18.640 -6.822 2.773 1.00 40.41 H new ATOM 0 HD22 LEU A 24 18.021 -5.396 3.639 1.00 40.41 H new ATOM 0 HD23 LEU A 24 16.983 -6.826 3.423 1.00 40.41 H new ATOM 347 N ILE A 25 17.923 -3.319 4.465 1.00 24.51 N ATOM 348 CA ILE A 25 19.143 -2.592 4.775 1.00 34.44 C ATOM 349 C ILE A 25 20.325 -3.563 4.771 1.00 22.15 C ATOM 350 O ILE A 25 20.310 -4.568 5.481 1.00 45.21 O ATOM 351 CB ILE A 25 18.986 -1.819 6.086 1.00 2.21 C ATOM 352 CG1 ILE A 25 17.866 -0.782 5.980 1.00 2.35 C ATOM 353 CG2 ILE A 25 20.313 -1.188 6.512 1.00 4.11 C ATOM 354 CD1 ILE A 25 17.224 -0.528 7.346 1.00 55.25 C ATOM 0 H ILE A 25 17.641 -3.999 5.171 1.00 24.51 H new ATOM 0 HA ILE A 25 19.345 -1.841 4.011 1.00 34.44 H new ATOM 0 HB ILE A 25 18.699 -2.524 6.866 1.00 2.21 H new ATOM 0 HG12 ILE A 25 18.266 0.151 5.583 1.00 2.35 H new ATOM 0 HG13 ILE A 25 17.109 -1.129 5.277 1.00 2.35 H new ATOM 0 HG21 ILE A 25 20.174 -0.644 7.447 1.00 4.11 H new ATOM 0 HG22 ILE A 25 21.059 -1.970 6.655 1.00 4.11 H new ATOM 0 HG23 ILE A 25 20.653 -0.499 5.739 1.00 4.11 H new ATOM 0 HD11 ILE A 25 16.431 0.213 7.243 1.00 55.25 H new ATOM 0 HD12 ILE A 25 16.804 -1.458 7.729 1.00 55.25 H new ATOM 0 HD13 ILE A 25 17.979 -0.158 8.040 1.00 55.25 H new ATOM 366 N LEU A 26 21.321 -3.229 3.965 1.00 44.35 N ATOM 367 CA LEU A 26 22.510 -4.058 3.859 1.00 74.31 C ATOM 368 C LEU A 26 23.708 -3.300 4.433 1.00 64.14 C ATOM 369 O LEU A 26 24.164 -2.318 3.848 1.00 34.04 O ATOM 370 CB LEU A 26 22.711 -4.525 2.416 1.00 74.22 C ATOM 371 CG LEU A 26 21.440 -4.897 1.648 1.00 24.11 C ATOM 372 CD1 LEU A 26 20.979 -3.741 0.759 1.00 12.11 C ATOM 373 CD2 LEU A 26 21.639 -6.188 0.852 1.00 63.41 C ATOM 0 H LEU A 26 21.330 -2.395 3.378 1.00 44.35 H new ATOM 0 HA LEU A 26 22.395 -4.967 4.450 1.00 74.31 H new ATOM 0 HB2 LEU A 26 23.225 -3.735 1.868 1.00 74.22 H new ATOM 0 HB3 LEU A 26 23.373 -5.391 2.424 1.00 74.22 H new ATOM 0 HG LEU A 26 20.646 -5.084 2.371 1.00 24.11 H new ATOM 0 HD11 LEU A 26 20.074 -4.031 0.225 1.00 12.11 H new ATOM 0 HD12 LEU A 26 20.771 -2.867 1.377 1.00 12.11 H new ATOM 0 HD13 LEU A 26 21.763 -3.499 0.041 1.00 12.11 H new ATOM 0 HD21 LEU A 26 20.721 -6.430 0.316 1.00 63.41 H new ATOM 0 HD22 LEU A 26 22.452 -6.054 0.138 1.00 63.41 H new ATOM 0 HD23 LEU A 26 21.886 -7.002 1.534 1.00 63.41 H new ATOM 385 N ASN A 27 24.185 -3.785 5.570 1.00 44.34 N ATOM 386 CA ASN A 27 25.322 -3.165 6.229 1.00 45.02 C ATOM 387 C ASN A 27 26.568 -4.025 6.004 1.00 34.33 C ATOM 388 O ASN A 27 26.756 -5.038 6.676 1.00 21.14 O ATOM 389 CB ASN A 27 25.091 -3.053 7.737 1.00 51.21 C ATOM 390 CG ASN A 27 24.565 -1.665 8.109 1.00 32.21 C ATOM 391 OD1 ASN A 27 25.094 -0.643 7.705 1.00 25.11 O ATOM 392 ND2 ASN A 27 23.496 -1.686 8.900 1.00 73.21 N ATOM 0 H ASN A 27 23.805 -4.600 6.052 1.00 44.34 H new ATOM 0 HA ASN A 27 25.452 -2.168 5.809 1.00 45.02 H new ATOM 0 HB2 ASN A 27 24.379 -3.814 8.057 1.00 51.21 H new ATOM 0 HB3 ASN A 27 26.024 -3.247 8.267 1.00 51.21 H new ATOM 0 HD21 ASN A 27 23.070 -0.811 9.204 1.00 73.21 H new ATOM 0 HD22 ASN A 27 23.103 -2.577 9.202 1.00 73.21 H new ATOM 399 N GLY A 28 27.385 -3.590 5.057 1.00 24.30 N ATOM 400 CA GLY A 28 28.607 -4.308 4.736 1.00 43.14 C ATOM 401 C GLY A 28 29.803 -3.356 4.678 1.00 45.40 C ATOM 402 O GLY A 28 29.633 -2.148 4.517 1.00 60.23 O ATOM 0 H GLY A 28 27.225 -2.750 4.501 1.00 24.30 H new ATOM 0 HA2 GLY A 28 28.787 -5.079 5.485 1.00 43.14 H new ATOM 0 HA3 GLY A 28 28.494 -4.815 3.778 1.00 43.14 H new ATOM 406 N LYS A 29 30.987 -3.935 4.813 1.00 44.11 N ATOM 407 CA LYS A 29 32.212 -3.153 4.778 1.00 15.12 C ATOM 408 C LYS A 29 32.492 -2.716 3.339 1.00 31.00 C ATOM 409 O LYS A 29 32.973 -1.608 3.105 1.00 31.33 O ATOM 410 CB LYS A 29 33.362 -3.930 5.420 1.00 24.42 C ATOM 411 CG LYS A 29 32.930 -4.552 6.750 1.00 51.31 C ATOM 412 CD LYS A 29 32.466 -3.475 7.733 1.00 42.10 C ATOM 413 CE LYS A 29 30.947 -3.513 7.911 1.00 1.22 C ATOM 414 NZ LYS A 29 30.589 -4.227 9.157 1.00 1.53 N ATOM 0 H LYS A 29 31.124 -4.937 4.947 1.00 44.11 H new ATOM 0 HA LYS A 29 32.102 -2.245 5.371 1.00 15.12 H new ATOM 0 HB2 LYS A 29 33.700 -4.713 4.741 1.00 24.42 H new ATOM 0 HB3 LYS A 29 34.209 -3.263 5.584 1.00 24.42 H new ATOM 0 HG2 LYS A 29 32.123 -5.264 6.578 1.00 51.31 H new ATOM 0 HG3 LYS A 29 33.761 -5.110 7.182 1.00 51.31 H new ATOM 0 HD2 LYS A 29 32.953 -3.624 8.697 1.00 42.10 H new ATOM 0 HD3 LYS A 29 32.769 -2.492 7.371 1.00 42.10 H new ATOM 0 HE2 LYS A 29 30.553 -2.497 7.941 1.00 1.22 H new ATOM 0 HE3 LYS A 29 30.487 -4.008 7.056 1.00 1.22 H new ATOM 0 HZ1 LYS A 29 29.601 -4.017 9.406 1.00 1.53 H new ATOM 0 HZ2 LYS A 29 30.699 -5.251 9.014 1.00 1.53 H new ATOM 0 HZ3 LYS A 29 31.214 -3.916 9.927 1.00 1.53 H new ATOM 427 N THR A 30 32.179 -3.609 2.412 1.00 62.23 N ATOM 428 CA THR A 30 32.391 -3.330 1.002 1.00 44.23 C ATOM 429 C THR A 30 31.070 -2.953 0.328 1.00 5.11 C ATOM 430 O THR A 30 31.064 -2.276 -0.699 1.00 62.32 O ATOM 431 CB THR A 30 33.067 -4.551 0.374 1.00 12.22 C ATOM 432 OG1 THR A 30 32.008 -5.492 0.220 1.00 41.14 O ATOM 433 CG2 THR A 30 34.040 -5.239 1.333 1.00 21.14 C ATOM 0 H THR A 30 31.780 -4.527 2.610 1.00 62.23 H new ATOM 0 HA THR A 30 33.047 -2.471 0.864 1.00 44.23 H new ATOM 0 HB THR A 30 33.599 -4.248 -0.528 1.00 12.22 H new ATOM 0 HG1 THR A 30 32.357 -6.314 -0.183 1.00 41.14 H new ATOM 0 HG21 THR A 30 34.492 -6.099 0.838 1.00 21.14 H new ATOM 0 HG22 THR A 30 34.821 -4.537 1.625 1.00 21.14 H new ATOM 0 HG23 THR A 30 33.502 -5.573 2.220 1.00 21.14 H new ATOM 441 N LEU A 31 29.983 -3.407 0.934 1.00 64.30 N ATOM 442 CA LEU A 31 28.659 -3.126 0.406 1.00 63.24 C ATOM 443 C LEU A 31 27.765 -2.607 1.533 1.00 34.41 C ATOM 444 O LEU A 31 27.352 -3.371 2.405 1.00 65.33 O ATOM 445 CB LEU A 31 28.096 -4.356 -0.310 1.00 41.53 C ATOM 446 CG LEU A 31 27.249 -4.078 -1.554 1.00 63.01 C ATOM 447 CD1 LEU A 31 25.954 -3.352 -1.185 1.00 3.11 C ATOM 448 CD2 LEU A 31 28.055 -3.314 -2.607 1.00 10.35 C ATOM 0 H LEU A 31 29.992 -3.968 1.786 1.00 64.30 H new ATOM 0 HA LEU A 31 28.708 -2.341 -0.349 1.00 63.24 H new ATOM 0 HB2 LEU A 31 28.929 -4.998 -0.598 1.00 41.53 H new ATOM 0 HB3 LEU A 31 27.490 -4.919 0.400 1.00 41.53 H new ATOM 0 HG LEU A 31 26.967 -5.034 -1.996 1.00 63.01 H new ATOM 0 HD11 LEU A 31 25.371 -3.167 -2.087 1.00 3.11 H new ATOM 0 HD12 LEU A 31 25.374 -3.969 -0.498 1.00 3.11 H new ATOM 0 HD13 LEU A 31 26.193 -2.402 -0.706 1.00 3.11 H new ATOM 0 HD21 LEU A 31 27.430 -3.129 -3.481 1.00 10.35 H new ATOM 0 HD22 LEU A 31 28.387 -2.363 -2.191 1.00 10.35 H new ATOM 0 HD23 LEU A 31 28.923 -3.905 -2.900 1.00 10.35 H new ATOM 460 N LYS A 32 27.490 -1.312 1.479 1.00 24.34 N ATOM 461 CA LYS A 32 26.652 -0.683 2.485 1.00 0.53 C ATOM 462 C LYS A 32 25.620 0.212 1.796 1.00 72.24 C ATOM 463 O LYS A 32 25.980 1.107 1.033 1.00 52.12 O ATOM 464 CB LYS A 32 27.512 0.052 3.516 1.00 52.43 C ATOM 465 CG LYS A 32 28.801 0.577 2.880 1.00 71.00 C ATOM 466 CD LYS A 32 29.730 1.175 3.938 1.00 0.22 C ATOM 467 CE LYS A 32 31.197 0.997 3.543 1.00 4.12 C ATOM 468 NZ LYS A 32 31.390 1.311 2.110 1.00 71.14 N ATOM 0 H LYS A 32 27.833 -0.681 0.754 1.00 24.34 H new ATOM 0 HA LYS A 32 26.098 -1.437 3.045 1.00 0.53 H new ATOM 0 HB2 LYS A 32 26.947 0.882 3.941 1.00 52.43 H new ATOM 0 HB3 LYS A 32 27.756 -0.621 4.338 1.00 52.43 H new ATOM 0 HG2 LYS A 32 29.311 -0.234 2.360 1.00 71.00 H new ATOM 0 HG3 LYS A 32 28.560 1.333 2.133 1.00 71.00 H new ATOM 0 HD2 LYS A 32 29.509 2.235 4.063 1.00 0.22 H new ATOM 0 HD3 LYS A 32 29.548 0.696 4.900 1.00 0.22 H new ATOM 0 HE2 LYS A 32 31.825 1.648 4.152 1.00 4.12 H new ATOM 0 HE3 LYS A 32 31.512 -0.027 3.742 1.00 4.12 H new ATOM 0 HZ1 LYS A 32 32.380 1.583 1.945 1.00 71.14 H new ATOM 0 HZ2 LYS A 32 31.161 0.474 1.537 1.00 71.14 H new ATOM 0 HZ3 LYS A 32 30.765 2.097 1.840 1.00 71.14 H new ATOM 481 N GLY A 33 24.357 -0.062 2.089 1.00 40.15 N ATOM 482 CA GLY A 33 23.270 0.707 1.506 1.00 21.31 C ATOM 483 C GLY A 33 21.919 0.259 2.068 1.00 3.34 C ATOM 484 O GLY A 33 21.862 -0.608 2.939 1.00 52.21 O ATOM 0 H GLY A 33 24.062 -0.805 2.722 1.00 40.15 H new ATOM 0 HA2 GLY A 33 23.419 1.767 1.710 1.00 21.31 H new ATOM 0 HA3 GLY A 33 23.275 0.587 0.423 1.00 21.31 H new ATOM 488 N GLU A 34 20.866 0.871 1.548 1.00 52.21 N ATOM 489 CA GLU A 34 19.519 0.547 1.987 1.00 22.31 C ATOM 490 C GLU A 34 18.565 0.511 0.792 1.00 41.14 C ATOM 491 O GLU A 34 18.924 0.935 -0.306 1.00 74.21 O ATOM 492 CB GLU A 34 19.034 1.538 3.046 1.00 1.43 C ATOM 493 CG GLU A 34 18.731 2.902 2.423 1.00 43.44 C ATOM 494 CD GLU A 34 18.705 3.999 3.489 1.00 1.21 C ATOM 495 OE1 GLU A 34 17.657 4.239 4.106 1.00 33.34 O ATOM 496 OE2 GLU A 34 19.826 4.612 3.668 1.00 11.32 O ATOM 0 H GLU A 34 20.918 1.590 0.826 1.00 52.21 H new ATOM 0 HA GLU A 34 19.535 -0.443 2.444 1.00 22.31 H new ATOM 0 HB2 GLU A 34 18.139 1.149 3.531 1.00 1.43 H new ATOM 0 HB3 GLU A 34 19.793 1.649 3.820 1.00 1.43 H new ATOM 0 HG2 GLU A 34 19.485 3.138 1.672 1.00 43.44 H new ATOM 0 HG3 GLU A 34 17.770 2.866 1.910 1.00 43.44 H new ATOM 504 N THR A 35 17.369 0.002 1.045 1.00 74.40 N ATOM 505 CA THR A 35 16.360 -0.095 0.003 1.00 3.12 C ATOM 506 C THR A 35 15.048 -0.631 0.579 1.00 22.20 C ATOM 507 O THR A 35 14.969 -0.946 1.766 1.00 45.34 O ATOM 508 CB THR A 35 16.927 -0.959 -1.125 1.00 21.22 C ATOM 509 OG1 THR A 35 15.797 -1.244 -1.945 1.00 44.45 O ATOM 510 CG2 THR A 35 17.387 -2.334 -0.635 1.00 0.23 C ATOM 0 H THR A 35 17.075 -0.348 1.957 1.00 74.40 H new ATOM 0 HA THR A 35 16.121 0.886 -0.408 1.00 3.12 H new ATOM 0 HB THR A 35 17.764 -0.441 -1.593 1.00 21.22 H new ATOM 0 HG1 THR A 35 16.080 -1.774 -2.719 1.00 44.45 H new ATOM 0 HG21 THR A 35 17.781 -2.907 -1.475 1.00 0.23 H new ATOM 0 HG22 THR A 35 18.166 -2.210 0.117 1.00 0.23 H new ATOM 0 HG23 THR A 35 16.542 -2.866 -0.198 1.00 0.23 H new ATOM 518 N THR A 36 14.051 -0.719 -0.288 1.00 73.34 N ATOM 519 CA THR A 36 12.746 -1.212 0.119 1.00 71.10 C ATOM 520 C THR A 36 12.079 -1.969 -1.031 1.00 71.11 C ATOM 521 O THR A 36 12.370 -1.714 -2.199 1.00 11.44 O ATOM 522 CB THR A 36 11.926 -0.021 0.619 1.00 32.43 C ATOM 523 OG1 THR A 36 11.529 0.652 -0.572 1.00 71.12 O ATOM 524 CG2 THR A 36 12.781 1.008 1.362 1.00 74.24 C ATOM 0 H THR A 36 14.120 -0.457 -1.271 1.00 73.34 H new ATOM 0 HA THR A 36 12.831 -1.931 0.933 1.00 71.10 H new ATOM 0 HB THR A 36 11.133 -0.377 1.277 1.00 32.43 H new ATOM 0 HG1 THR A 36 10.991 1.437 -0.340 1.00 71.12 H new ATOM 0 HG21 THR A 36 12.150 1.832 1.695 1.00 74.24 H new ATOM 0 HG22 THR A 36 13.249 0.536 2.226 1.00 74.24 H new ATOM 0 HG23 THR A 36 13.554 1.389 0.694 1.00 74.24 H new ATOM 532 N THR A 37 11.197 -2.886 -0.661 1.00 14.50 N ATOM 533 CA THR A 37 10.486 -3.681 -1.647 1.00 73.42 C ATOM 534 C THR A 37 9.071 -3.997 -1.158 1.00 72.23 C ATOM 535 O THR A 37 8.831 -4.085 0.045 1.00 41.20 O ATOM 536 CB THR A 37 11.321 -4.930 -1.938 1.00 51.11 C ATOM 537 OG1 THR A 37 10.638 -5.560 -3.018 1.00 62.34 O ATOM 538 CG2 THR A 37 11.254 -5.956 -0.805 1.00 71.34 C ATOM 0 H THR A 37 10.959 -3.096 0.308 1.00 14.50 H new ATOM 0 HA THR A 37 10.359 -3.132 -2.580 1.00 73.42 H new ATOM 0 HB THR A 37 12.359 -4.642 -2.106 1.00 51.11 H new ATOM 0 HG1 THR A 37 10.901 -6.503 -3.066 1.00 62.34 H new ATOM 0 HG21 THR A 37 11.863 -6.822 -1.062 1.00 71.34 H new ATOM 0 HG22 THR A 37 11.630 -5.508 0.115 1.00 71.34 H new ATOM 0 HG23 THR A 37 10.220 -6.270 -0.659 1.00 71.34 H new ATOM 546 N CYS A 38 8.171 -4.159 -2.117 1.00 35.44 N ATOM 547 CA CYS A 38 6.786 -4.464 -1.799 1.00 13.53 C ATOM 548 C CYS A 38 6.484 -5.885 -2.277 1.00 21.22 C ATOM 549 O CYS A 38 6.861 -6.265 -3.384 1.00 43.44 O ATOM 550 CB CYS A 38 5.827 -3.440 -2.411 1.00 31.22 C ATOM 551 SG CYS A 38 5.965 -1.751 -1.721 1.00 12.03 S ATOM 0 H CYS A 38 8.374 -4.085 -3.114 1.00 35.44 H new ATOM 0 HA CYS A 38 6.637 -4.406 -0.721 1.00 13.53 H new ATOM 0 HB2 CYS A 38 6.004 -3.394 -3.485 1.00 31.22 H new ATOM 0 HB3 CYS A 38 4.805 -3.792 -2.272 1.00 31.22 H new ATOM 0 HG CYS A 38 5.111 -0.970 -2.312 1.00 12.03 H new ATOM 556 N ALA A 39 5.807 -6.633 -1.418 1.00 21.12 N ATOM 557 CA ALA A 39 5.451 -8.005 -1.739 1.00 13.34 C ATOM 558 C ALA A 39 4.089 -8.331 -1.122 1.00 52.43 C ATOM 559 O ALA A 39 3.706 -7.747 -0.109 1.00 64.40 O ATOM 560 CB ALA A 39 6.553 -8.947 -1.249 1.00 54.50 C ATOM 0 H ALA A 39 5.496 -6.315 -0.500 1.00 21.12 H new ATOM 0 HA ALA A 39 5.365 -8.137 -2.818 1.00 13.34 H new ATOM 0 HB1 ALA A 39 6.286 -9.976 -1.490 1.00 54.50 H new ATOM 0 HB2 ALA A 39 7.493 -8.692 -1.738 1.00 54.50 H new ATOM 0 HB3 ALA A 39 6.666 -8.845 -0.170 1.00 54.50 H new ATOM 566 N VAL A 40 3.394 -9.261 -1.760 1.00 31.32 N ATOM 567 CA VAL A 40 2.083 -9.672 -1.287 1.00 13.32 C ATOM 568 C VAL A 40 2.234 -10.409 0.045 1.00 14.03 C ATOM 569 O VAL A 40 1.422 -10.232 0.952 1.00 1.54 O ATOM 570 CB VAL A 40 1.379 -10.509 -2.357 1.00 12.31 C ATOM 571 CG1 VAL A 40 1.704 -11.995 -2.193 1.00 2.44 C ATOM 572 CG2 VAL A 40 -0.133 -10.272 -2.332 1.00 25.13 C ATOM 0 H VAL A 40 3.714 -9.742 -2.601 1.00 31.32 H new ATOM 0 HA VAL A 40 1.452 -8.802 -1.107 1.00 13.32 H new ATOM 0 HB VAL A 40 1.752 -10.190 -3.330 1.00 12.31 H new ATOM 0 HG11 VAL A 40 1.191 -12.567 -2.966 1.00 2.44 H new ATOM 0 HG12 VAL A 40 2.780 -12.144 -2.285 1.00 2.44 H new ATOM 0 HG13 VAL A 40 1.373 -12.334 -1.211 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -0.609 -10.879 -3.102 1.00 25.13 H new ATOM 0 HG22 VAL A 40 -0.529 -10.550 -1.355 1.00 25.13 H new ATOM 0 HG23 VAL A 40 -0.339 -9.219 -2.521 1.00 25.13 H new ATOM 582 N ASP A 41 3.278 -11.221 0.121 1.00 41.41 N ATOM 583 CA ASP A 41 3.546 -11.986 1.327 1.00 53.50 C ATOM 584 C ASP A 41 5.008 -11.794 1.733 1.00 24.00 C ATOM 585 O ASP A 41 5.886 -11.694 0.877 1.00 50.10 O ATOM 586 CB ASP A 41 3.311 -13.479 1.095 1.00 22.51 C ATOM 587 CG ASP A 41 1.871 -13.862 0.748 1.00 50.31 C ATOM 588 OD1 ASP A 41 1.604 -14.451 -0.310 1.00 31.43 O ATOM 589 OD2 ASP A 41 0.990 -13.525 1.628 1.00 2.32 O ATOM 0 H ASP A 41 3.949 -11.366 -0.634 1.00 41.41 H new ATOM 0 HA ASP A 41 2.873 -11.632 2.108 1.00 53.50 H new ATOM 0 HB2 ASP A 41 3.964 -13.813 0.289 1.00 22.51 H new ATOM 0 HB3 ASP A 41 3.609 -14.022 1.992 1.00 22.51 H new ATOM 595 N ALA A 42 5.226 -11.749 3.039 1.00 15.22 N ATOM 596 CA ALA A 42 6.567 -11.571 3.569 1.00 32.12 C ATOM 597 C ALA A 42 7.474 -12.679 3.030 1.00 3.25 C ATOM 598 O ALA A 42 8.697 -12.552 3.057 1.00 44.35 O ATOM 599 CB ALA A 42 6.513 -11.553 5.098 1.00 24.12 C ATOM 0 H ALA A 42 4.496 -11.833 3.746 1.00 15.22 H new ATOM 0 HA ALA A 42 6.985 -10.617 3.247 1.00 32.12 H new ATOM 0 HB1 ALA A 42 7.519 -11.419 5.496 1.00 24.12 H new ATOM 0 HB2 ALA A 42 5.879 -10.731 5.430 1.00 24.12 H new ATOM 0 HB3 ALA A 42 6.102 -12.496 5.459 1.00 24.12 H new ATOM 605 N ALA A 43 6.840 -13.740 2.555 1.00 61.42 N ATOM 606 CA ALA A 43 7.575 -14.870 2.011 1.00 50.43 C ATOM 607 C ALA A 43 8.278 -14.441 0.721 1.00 71.51 C ATOM 608 O ALA A 43 9.449 -14.755 0.515 1.00 43.23 O ATOM 609 CB ALA A 43 6.618 -16.043 1.791 1.00 25.54 C ATOM 0 H ALA A 43 5.825 -13.842 2.535 1.00 61.42 H new ATOM 0 HA ALA A 43 8.342 -15.202 2.710 1.00 50.43 H new ATOM 0 HB1 ALA A 43 7.169 -16.890 1.383 1.00 25.54 H new ATOM 0 HB2 ALA A 43 6.166 -16.327 2.741 1.00 25.54 H new ATOM 0 HB3 ALA A 43 5.836 -15.748 1.091 1.00 25.54 H new ATOM 615 N THR A 44 7.533 -13.732 -0.114 1.00 11.23 N ATOM 616 CA THR A 44 8.070 -13.257 -1.378 1.00 31.42 C ATOM 617 C THR A 44 9.144 -12.195 -1.136 1.00 23.43 C ATOM 618 O THR A 44 10.195 -12.213 -1.775 1.00 22.54 O ATOM 619 CB THR A 44 6.902 -12.757 -2.230 1.00 12.02 C ATOM 620 OG1 THR A 44 6.168 -13.938 -2.540 1.00 74.14 O ATOM 621 CG2 THR A 44 7.355 -12.230 -3.593 1.00 72.51 C ATOM 0 H THR A 44 6.561 -13.475 0.060 1.00 11.23 H new ATOM 0 HA THR A 44 8.568 -14.059 -1.922 1.00 31.42 H new ATOM 0 HB THR A 44 6.373 -11.969 -1.694 1.00 12.02 H new ATOM 0 HG1 THR A 44 5.391 -13.705 -3.090 1.00 74.14 H new ATOM 0 HG21 THR A 44 6.488 -11.888 -4.157 1.00 72.51 H new ATOM 0 HG22 THR A 44 8.046 -11.399 -3.451 1.00 72.51 H new ATOM 0 HG23 THR A 44 7.855 -13.027 -4.144 1.00 72.51 H new ATOM 629 N ALA A 45 8.843 -11.295 -0.211 1.00 64.24 N ATOM 630 CA ALA A 45 9.770 -10.227 0.123 1.00 23.31 C ATOM 631 C ALA A 45 11.019 -10.827 0.772 1.00 45.21 C ATOM 632 O ALA A 45 12.131 -10.353 0.542 1.00 40.02 O ATOM 633 CB ALA A 45 9.073 -9.211 1.030 1.00 71.14 C ATOM 0 H ALA A 45 7.971 -11.284 0.317 1.00 64.24 H new ATOM 0 HA ALA A 45 10.087 -9.698 -0.776 1.00 23.31 H new ATOM 0 HB1 ALA A 45 9.768 -8.410 1.281 1.00 71.14 H new ATOM 0 HB2 ALA A 45 8.209 -8.793 0.512 1.00 71.14 H new ATOM 0 HB3 ALA A 45 8.744 -9.705 1.944 1.00 71.14 H new ATOM 639 N GLU A 46 10.795 -11.860 1.570 1.00 32.12 N ATOM 640 CA GLU A 46 11.888 -12.529 2.254 1.00 64.20 C ATOM 641 C GLU A 46 12.897 -13.071 1.239 1.00 51.01 C ATOM 642 O GLU A 46 14.094 -12.813 1.350 1.00 44.10 O ATOM 643 CB GLU A 46 11.367 -13.647 3.159 1.00 70.20 C ATOM 644 CG GLU A 46 12.521 -14.382 3.844 1.00 44.15 C ATOM 645 CD GLU A 46 12.035 -15.129 5.087 1.00 60.43 C ATOM 646 OE1 GLU A 46 11.504 -14.505 6.017 1.00 33.32 O ATOM 647 OE2 GLU A 46 12.225 -16.405 5.065 1.00 74.33 O ATOM 0 H GLU A 46 9.872 -12.250 1.758 1.00 32.12 H new ATOM 0 HA GLU A 46 12.394 -11.800 2.887 1.00 64.20 H new ATOM 0 HB2 GLU A 46 10.700 -13.228 3.912 1.00 70.20 H new ATOM 0 HB3 GLU A 46 10.780 -14.352 2.570 1.00 70.20 H new ATOM 0 HG2 GLU A 46 12.973 -15.086 3.146 1.00 44.15 H new ATOM 0 HG3 GLU A 46 13.296 -13.668 4.124 1.00 44.15 H new ATOM 655 N LYS A 47 12.375 -13.812 0.272 1.00 25.14 N ATOM 656 CA LYS A 47 13.215 -14.392 -0.762 1.00 23.54 C ATOM 657 C LYS A 47 13.908 -13.271 -1.539 1.00 22.33 C ATOM 658 O LYS A 47 15.003 -13.462 -2.067 1.00 12.33 O ATOM 659 CB LYS A 47 12.401 -15.340 -1.644 1.00 73.14 C ATOM 660 CG LYS A 47 11.204 -14.618 -2.266 1.00 14.53 C ATOM 661 CD LYS A 47 10.530 -15.487 -3.330 1.00 3.24 C ATOM 662 CE LYS A 47 11.560 -16.041 -4.316 1.00 73.34 C ATOM 663 NZ LYS A 47 12.526 -14.989 -4.704 1.00 14.03 N ATOM 0 H LYS A 47 11.381 -14.024 0.183 1.00 25.14 H new ATOM 0 HA LYS A 47 14.000 -15.003 -0.317 1.00 23.54 H new ATOM 0 HB2 LYS A 47 13.036 -15.744 -2.432 1.00 73.14 H new ATOM 0 HB3 LYS A 47 12.052 -16.185 -1.051 1.00 73.14 H new ATOM 0 HG2 LYS A 47 10.483 -14.365 -1.488 1.00 14.53 H new ATOM 0 HG3 LYS A 47 11.533 -13.680 -2.713 1.00 14.53 H new ATOM 0 HD2 LYS A 47 10.000 -16.310 -2.851 1.00 3.24 H new ATOM 0 HD3 LYS A 47 9.786 -14.899 -3.867 1.00 3.24 H new ATOM 0 HE2 LYS A 47 12.089 -16.880 -3.865 1.00 73.34 H new ATOM 0 HE3 LYS A 47 11.054 -16.423 -5.203 1.00 73.34 H new ATOM 0 HZ1 LYS A 47 12.775 -15.100 -5.708 1.00 14.03 H new ATOM 0 HZ2 LYS A 47 12.098 -14.053 -4.555 1.00 14.03 H new ATOM 0 HZ3 LYS A 47 13.384 -15.074 -4.123 1.00 14.03 H new ATOM 676 N VAL A 48 13.242 -12.127 -1.584 1.00 41.01 N ATOM 677 CA VAL A 48 13.780 -10.975 -2.288 1.00 21.22 C ATOM 678 C VAL A 48 14.917 -10.366 -1.465 1.00 51.40 C ATOM 679 O VAL A 48 15.935 -9.952 -2.017 1.00 41.14 O ATOM 680 CB VAL A 48 12.661 -9.978 -2.592 1.00 15.44 C ATOM 681 CG1 VAL A 48 13.221 -8.699 -3.217 1.00 54.32 C ATOM 682 CG2 VAL A 48 11.595 -10.607 -3.491 1.00 53.11 C ATOM 0 H VAL A 48 12.335 -11.973 -1.144 1.00 41.01 H new ATOM 0 HA VAL A 48 14.199 -11.275 -3.249 1.00 21.22 H new ATOM 0 HB VAL A 48 12.186 -9.709 -1.648 1.00 15.44 H new ATOM 0 HG11 VAL A 48 12.404 -8.007 -3.423 1.00 54.32 H new ATOM 0 HG12 VAL A 48 13.925 -8.234 -2.526 1.00 54.32 H new ATOM 0 HG13 VAL A 48 13.734 -8.943 -4.147 1.00 54.32 H new ATOM 0 HG21 VAL A 48 10.811 -9.877 -3.692 1.00 53.11 H new ATOM 0 HG22 VAL A 48 12.050 -10.919 -4.431 1.00 53.11 H new ATOM 0 HG23 VAL A 48 11.163 -11.474 -2.992 1.00 53.11 H new ATOM 692 N PHE A 49 14.705 -10.329 -0.158 1.00 31.53 N ATOM 693 CA PHE A 49 15.699 -9.777 0.747 1.00 61.42 C ATOM 694 C PHE A 49 16.940 -10.671 0.810 1.00 55.04 C ATOM 695 O PHE A 49 18.066 -10.176 0.822 1.00 75.11 O ATOM 696 CB PHE A 49 15.057 -9.718 2.134 1.00 4.33 C ATOM 697 CG PHE A 49 16.065 -9.627 3.282 1.00 13.44 C ATOM 698 CD1 PHE A 49 17.246 -8.978 3.101 1.00 63.45 C ATOM 699 CD2 PHE A 49 15.778 -10.194 4.485 1.00 43.11 C ATOM 700 CE1 PHE A 49 18.181 -8.894 4.166 1.00 1.21 C ATOM 701 CE2 PHE A 49 16.713 -10.109 5.550 1.00 21.43 C ATOM 702 CZ PHE A 49 17.895 -9.461 5.369 1.00 73.14 C ATOM 0 H PHE A 49 13.859 -10.673 0.296 1.00 31.53 H new ATOM 0 HA PHE A 49 16.011 -8.792 0.401 1.00 61.42 H new ATOM 0 HB2 PHE A 49 14.392 -8.856 2.179 1.00 4.33 H new ATOM 0 HB3 PHE A 49 14.439 -10.605 2.276 1.00 4.33 H new ATOM 0 HD1 PHE A 49 17.473 -8.526 2.147 1.00 63.45 H new ATOM 0 HD2 PHE A 49 14.839 -10.708 4.630 1.00 43.11 H new ATOM 0 HE1 PHE A 49 19.120 -8.380 4.021 1.00 1.21 H new ATOM 0 HE2 PHE A 49 16.485 -10.559 6.505 1.00 21.43 H new ATOM 0 HZ PHE A 49 18.606 -9.397 6.180 1.00 73.14 H new ATOM 712 N LYS A 50 16.691 -11.972 0.848 1.00 41.22 N ATOM 713 CA LYS A 50 17.774 -12.939 0.909 1.00 32.01 C ATOM 714 C LYS A 50 18.555 -12.907 -0.406 1.00 22.31 C ATOM 715 O LYS A 50 19.770 -13.101 -0.415 1.00 72.41 O ATOM 716 CB LYS A 50 17.235 -14.324 1.271 1.00 73.51 C ATOM 717 CG LYS A 50 16.248 -14.241 2.437 1.00 30.53 C ATOM 718 CD LYS A 50 16.718 -15.098 3.615 1.00 73.33 C ATOM 719 CE LYS A 50 16.048 -14.655 4.917 1.00 73.11 C ATOM 720 NZ LYS A 50 17.062 -14.196 5.892 1.00 64.04 N ATOM 0 H LYS A 50 15.756 -12.379 0.838 1.00 41.22 H new ATOM 0 HA LYS A 50 18.474 -12.678 1.702 1.00 32.01 H new ATOM 0 HB2 LYS A 50 16.743 -14.765 0.404 1.00 73.51 H new ATOM 0 HB3 LYS A 50 18.062 -14.982 1.536 1.00 73.51 H new ATOM 0 HG2 LYS A 50 16.143 -13.204 2.756 1.00 30.53 H new ATOM 0 HG3 LYS A 50 15.264 -14.575 2.109 1.00 30.53 H new ATOM 0 HD2 LYS A 50 16.488 -16.146 3.422 1.00 73.33 H new ATOM 0 HD3 LYS A 50 17.801 -15.023 3.715 1.00 73.33 H new ATOM 0 HE2 LYS A 50 15.341 -13.851 4.714 1.00 73.11 H new ATOM 0 HE3 LYS A 50 15.478 -15.482 5.339 1.00 73.11 H new ATOM 0 HZ1 LYS A 50 16.587 -13.852 6.751 1.00 64.04 H new ATOM 0 HZ2 LYS A 50 17.690 -14.987 6.138 1.00 64.04 H new ATOM 0 HZ3 LYS A 50 17.622 -13.426 5.474 1.00 64.04 H new ATOM 733 N GLN A 51 17.826 -12.661 -1.485 1.00 24.15 N ATOM 734 CA GLN A 51 18.436 -12.601 -2.802 1.00 61.51 C ATOM 735 C GLN A 51 19.234 -11.305 -2.960 1.00 33.32 C ATOM 736 O GLN A 51 20.244 -11.276 -3.660 1.00 44.42 O ATOM 737 CB GLN A 51 17.380 -12.732 -3.901 1.00 61.54 C ATOM 738 CG GLN A 51 18.014 -13.179 -5.220 1.00 40.24 C ATOM 739 CD GLN A 51 18.614 -14.581 -5.094 1.00 0.43 C ATOM 740 OE1 GLN A 51 19.767 -14.821 -5.411 1.00 23.32 O ATOM 741 NE2 GLN A 51 17.770 -15.489 -4.614 1.00 34.15 N ATOM 0 H GLN A 51 16.819 -12.501 -1.474 1.00 24.15 H new ATOM 0 HA GLN A 51 19.123 -13.441 -2.901 1.00 61.51 H new ATOM 0 HB2 GLN A 51 16.620 -13.452 -3.596 1.00 61.54 H new ATOM 0 HB3 GLN A 51 16.876 -11.776 -4.041 1.00 61.54 H new ATOM 0 HG2 GLN A 51 17.263 -13.171 -6.010 1.00 40.24 H new ATOM 0 HG3 GLN A 51 18.791 -12.472 -5.512 1.00 40.24 H new ATOM 0 HE21 GLN A 51 16.817 -15.220 -4.368 1.00 34.15 H new ATOM 0 HE22 GLN A 51 18.075 -16.455 -4.491 1.00 34.15 H new ATOM 750 N TYR A 52 18.749 -10.266 -2.297 1.00 1.42 N ATOM 751 CA TYR A 52 19.404 -8.970 -2.355 1.00 3.24 C ATOM 752 C TYR A 52 20.785 -9.024 -1.698 1.00 43.13 C ATOM 753 O TYR A 52 21.780 -8.627 -2.303 1.00 60.13 O ATOM 754 CB TYR A 52 18.513 -8.011 -1.562 1.00 64.20 C ATOM 755 CG TYR A 52 18.367 -6.628 -2.199 1.00 10.22 C ATOM 756 CD1 TYR A 52 19.387 -5.705 -2.086 1.00 42.05 C ATOM 757 CD2 TYR A 52 17.215 -6.303 -2.885 1.00 51.54 C ATOM 758 CE1 TYR A 52 19.249 -4.403 -2.686 1.00 5.12 C ATOM 759 CE2 TYR A 52 17.077 -5.000 -3.485 1.00 22.44 C ATOM 760 CZ TYR A 52 18.101 -4.115 -3.355 1.00 43.13 C ATOM 761 OH TYR A 52 17.971 -2.885 -3.921 1.00 62.13 O ATOM 0 H TYR A 52 17.910 -10.295 -1.717 1.00 1.42 H new ATOM 0 HA TYR A 52 19.541 -8.655 -3.390 1.00 3.24 H new ATOM 0 HB2 TYR A 52 17.524 -8.456 -1.453 1.00 64.20 H new ATOM 0 HB3 TYR A 52 18.923 -7.896 -0.559 1.00 64.20 H new ATOM 0 HD1 TYR A 52 20.288 -5.959 -1.548 1.00 42.05 H new ATOM 0 HD2 TYR A 52 16.417 -7.025 -2.972 1.00 51.54 H new ATOM 0 HE1 TYR A 52 20.040 -3.672 -2.606 1.00 5.12 H new ATOM 0 HE2 TYR A 52 16.181 -4.733 -4.025 1.00 22.44 H new ATOM 0 HH TYR A 52 17.100 -2.820 -4.366 1.00 62.13 H new ATOM 771 N ALA A 53 20.802 -9.518 -0.469 1.00 62.42 N ATOM 772 CA ALA A 53 22.045 -9.630 0.276 1.00 52.52 C ATOM 773 C ALA A 53 23.003 -10.556 -0.475 1.00 44.10 C ATOM 774 O ALA A 53 24.209 -10.314 -0.507 1.00 11.31 O ATOM 775 CB ALA A 53 21.748 -10.123 1.693 1.00 11.34 C ATOM 0 H ALA A 53 19.975 -9.845 0.030 1.00 62.42 H new ATOM 0 HA ALA A 53 22.529 -8.657 0.364 1.00 52.52 H new ATOM 0 HB1 ALA A 53 22.680 -10.207 2.252 1.00 11.34 H new ATOM 0 HB2 ALA A 53 21.087 -9.415 2.194 1.00 11.34 H new ATOM 0 HB3 ALA A 53 21.265 -11.099 1.645 1.00 11.34 H new ATOM 781 N ASN A 54 22.432 -11.598 -1.061 1.00 15.42 N ATOM 782 CA ASN A 54 23.220 -12.562 -1.809 1.00 42.53 C ATOM 783 C ASN A 54 23.801 -11.884 -3.052 1.00 54.22 C ATOM 784 O ASN A 54 24.908 -12.207 -3.480 1.00 75.11 O ATOM 785 CB ASN A 54 22.358 -13.738 -2.271 1.00 64.13 C ATOM 786 CG ASN A 54 23.100 -14.589 -3.305 1.00 11.53 C ATOM 787 OD1 ASN A 54 24.241 -14.980 -3.121 1.00 34.40 O ATOM 788 ND2 ASN A 54 22.391 -14.851 -4.399 1.00 14.13 N ATOM 0 H ASN A 54 21.432 -11.796 -1.033 1.00 15.42 H new ATOM 0 HA ASN A 54 24.011 -12.930 -1.156 1.00 42.53 H new ATOM 0 HB2 ASN A 54 22.088 -14.355 -1.414 1.00 64.13 H new ATOM 0 HB3 ASN A 54 21.428 -13.365 -2.701 1.00 64.13 H new ATOM 0 HD21 ASN A 54 22.798 -15.411 -5.149 1.00 14.13 H new ATOM 0 HD22 ASN A 54 21.440 -14.492 -4.489 1.00 14.13 H new ATOM 795 N ASP A 55 23.027 -10.956 -3.597 1.00 21.22 N ATOM 796 CA ASP A 55 23.451 -10.230 -4.782 1.00 75.11 C ATOM 797 C ASP A 55 24.612 -9.303 -4.419 1.00 63.11 C ATOM 798 O ASP A 55 25.383 -8.899 -5.288 1.00 4.20 O ATOM 799 CB ASP A 55 22.314 -9.369 -5.336 1.00 13.13 C ATOM 800 CG ASP A 55 22.472 -8.952 -6.799 1.00 72.45 C ATOM 801 OD1 ASP A 55 21.484 -8.662 -7.491 1.00 44.01 O ATOM 802 OD2 ASP A 55 23.687 -8.932 -7.232 1.00 71.43 O ATOM 0 H ASP A 55 22.109 -10.691 -3.240 1.00 21.22 H new ATOM 0 HA ASP A 55 23.751 -10.959 -5.535 1.00 75.11 H new ATOM 0 HB2 ASP A 55 21.378 -9.917 -5.229 1.00 13.13 H new ATOM 0 HB3 ASP A 55 22.228 -8.470 -4.725 1.00 13.13 H new ATOM 808 N ASN A 56 24.701 -8.993 -3.134 1.00 31.31 N ATOM 809 CA ASN A 56 25.756 -8.121 -2.645 1.00 73.53 C ATOM 810 C ASN A 56 26.945 -8.971 -2.192 1.00 73.12 C ATOM 811 O ASN A 56 28.061 -8.469 -2.071 1.00 12.41 O ATOM 812 CB ASN A 56 25.279 -7.298 -1.447 1.00 71.40 C ATOM 813 CG ASN A 56 24.197 -6.300 -1.863 1.00 41.34 C ATOM 814 OD1 ASN A 56 24.122 -5.186 -1.372 1.00 12.43 O ATOM 815 ND2 ASN A 56 23.366 -6.759 -2.794 1.00 61.35 N ATOM 0 H ASN A 56 24.060 -9.330 -2.416 1.00 31.31 H new ATOM 0 HA ASN A 56 26.040 -7.448 -3.454 1.00 73.53 H new ATOM 0 HB2 ASN A 56 24.888 -7.963 -0.677 1.00 71.40 H new ATOM 0 HB3 ASN A 56 26.122 -6.764 -1.009 1.00 71.40 H new ATOM 0 HD21 ASN A 56 22.610 -6.168 -3.139 1.00 61.35 H new ATOM 0 HD22 ASN A 56 23.485 -7.702 -3.163 1.00 61.35 H new ATOM 822 N GLY A 57 26.665 -10.244 -1.954 1.00 71.13 N ATOM 823 CA GLY A 57 27.697 -11.168 -1.517 1.00 65.22 C ATOM 824 C GLY A 57 28.046 -10.944 -0.044 1.00 44.05 C ATOM 825 O GLY A 57 29.034 -11.483 0.452 1.00 22.12 O ATOM 0 H GLY A 57 25.738 -10.657 -2.056 1.00 71.13 H new ATOM 0 HA2 GLY A 57 27.357 -12.193 -1.662 1.00 65.22 H new ATOM 0 HA3 GLY A 57 28.589 -11.038 -2.130 1.00 65.22 H new ATOM 829 N VAL A 58 27.216 -10.147 0.613 1.00 63.44 N ATOM 830 CA VAL A 58 27.425 -9.845 2.019 1.00 73.25 C ATOM 831 C VAL A 58 26.576 -10.791 2.870 1.00 21.24 C ATOM 832 O VAL A 58 25.391 -10.981 2.600 1.00 22.22 O ATOM 833 CB VAL A 58 27.126 -8.369 2.286 1.00 15.24 C ATOM 834 CG1 VAL A 58 27.100 -8.078 3.788 1.00 22.23 C ATOM 835 CG2 VAL A 58 28.132 -7.467 1.570 1.00 5.41 C ATOM 0 H VAL A 58 26.398 -9.701 0.198 1.00 63.44 H new ATOM 0 HA VAL A 58 28.467 -10.007 2.295 1.00 73.25 H new ATOM 0 HB VAL A 58 26.136 -8.150 1.885 1.00 15.24 H new ATOM 0 HG11 VAL A 58 26.885 -7.022 3.950 1.00 22.23 H new ATOM 0 HG12 VAL A 58 26.327 -8.682 4.262 1.00 22.23 H new ATOM 0 HG13 VAL A 58 28.069 -8.322 4.223 1.00 22.23 H new ATOM 0 HG21 VAL A 58 27.896 -6.423 1.777 1.00 5.41 H new ATOM 0 HG22 VAL A 58 29.138 -7.689 1.926 1.00 5.41 H new ATOM 0 HG23 VAL A 58 28.080 -7.645 0.496 1.00 5.41 H new ATOM 845 N ASP A 59 27.216 -11.360 3.882 1.00 54.40 N ATOM 846 CA ASP A 59 26.534 -12.281 4.775 1.00 22.21 C ATOM 847 C ASP A 59 27.079 -12.106 6.194 1.00 12.01 C ATOM 848 O ASP A 59 28.281 -11.930 6.384 1.00 23.31 O ATOM 849 CB ASP A 59 26.771 -13.733 4.354 1.00 51.22 C ATOM 850 CG ASP A 59 26.699 -13.989 2.847 1.00 3.30 C ATOM 851 OD1 ASP A 59 27.724 -13.980 2.148 1.00 32.34 O ATOM 852 OD2 ASP A 59 25.514 -14.207 2.387 1.00 41.52 O ATOM 0 H ASP A 59 28.199 -11.201 4.103 1.00 54.40 H new ATOM 0 HA ASP A 59 25.467 -12.063 4.734 1.00 22.21 H new ATOM 0 HB2 ASP A 59 27.752 -14.044 4.714 1.00 51.22 H new ATOM 0 HB3 ASP A 59 26.034 -14.364 4.850 1.00 51.22 H new ATOM 858 N GLY A 60 26.167 -12.160 7.154 1.00 4.02 N ATOM 859 CA GLY A 60 26.541 -12.009 8.550 1.00 22.43 C ATOM 860 C GLY A 60 25.333 -12.212 9.466 1.00 33.15 C ATOM 861 O GLY A 60 24.716 -13.276 9.460 1.00 75.05 O ATOM 0 H GLY A 60 25.171 -12.306 6.993 1.00 4.02 H new ATOM 0 HA2 GLY A 60 27.318 -12.730 8.802 1.00 22.43 H new ATOM 0 HA3 GLY A 60 26.962 -11.017 8.712 1.00 22.43 H new ATOM 865 N GLU A 61 25.031 -11.175 10.233 1.00 1.52 N ATOM 866 CA GLU A 61 23.907 -11.225 11.153 1.00 24.31 C ATOM 867 C GLU A 61 22.656 -10.642 10.495 1.00 74.04 C ATOM 868 O GLU A 61 22.625 -9.463 10.147 1.00 42.34 O ATOM 869 CB GLU A 61 24.233 -10.494 12.457 1.00 54.42 C ATOM 870 CG GLU A 61 23.320 -10.963 13.592 1.00 60.35 C ATOM 871 CD GLU A 61 23.979 -10.739 14.954 1.00 44.02 C ATOM 872 OE1 GLU A 61 24.690 -11.625 15.452 1.00 12.21 O ATOM 873 OE2 GLU A 61 23.733 -9.595 15.497 1.00 33.33 O ATOM 0 H GLU A 61 25.546 -10.294 10.236 1.00 1.52 H new ATOM 0 HA GLU A 61 23.710 -12.268 11.400 1.00 24.31 H new ATOM 0 HB2 GLU A 61 25.274 -10.671 12.727 1.00 54.42 H new ATOM 0 HB3 GLU A 61 24.119 -9.419 12.314 1.00 54.42 H new ATOM 0 HG2 GLU A 61 22.374 -10.424 13.549 1.00 60.35 H new ATOM 0 HG3 GLU A 61 23.090 -12.021 13.465 1.00 60.35 H new ATOM 881 N TRP A 62 21.653 -11.495 10.344 1.00 62.14 N ATOM 882 CA TRP A 62 20.402 -11.079 9.733 1.00 31.10 C ATOM 883 C TRP A 62 19.397 -10.806 10.854 1.00 51.32 C ATOM 884 O TRP A 62 19.145 -11.671 11.691 1.00 0.33 O ATOM 885 CB TRP A 62 19.908 -12.123 8.729 1.00 44.51 C ATOM 886 CG TRP A 62 20.858 -12.350 7.551 1.00 74.13 C ATOM 887 CD1 TRP A 62 22.149 -12.707 7.588 1.00 34.24 C ATOM 888 CD2 TRP A 62 20.536 -12.221 6.150 1.00 54.02 C ATOM 889 NE1 TRP A 62 22.680 -12.817 6.320 1.00 63.15 N ATOM 890 CE2 TRP A 62 21.668 -12.512 5.417 1.00 61.10 C ATOM 891 CE3 TRP A 62 19.327 -11.870 5.523 1.00 42.15 C ATOM 892 CZ2 TRP A 62 21.705 -12.482 4.018 1.00 54.12 C ATOM 893 CZ3 TRP A 62 19.380 -11.844 4.124 1.00 64.13 C ATOM 894 CH2 TRP A 62 20.512 -12.134 3.371 1.00 24.44 C ATOM 0 H TRP A 62 21.681 -12.472 10.634 1.00 62.14 H new ATOM 0 HA TRP A 62 20.539 -10.164 9.157 1.00 31.10 H new ATOM 0 HB2 TRP A 62 19.757 -13.069 9.249 1.00 44.51 H new ATOM 0 HB3 TRP A 62 18.937 -11.812 8.345 1.00 44.51 H new ATOM 0 HD1 TRP A 62 22.704 -12.886 8.497 1.00 34.24 H new ATOM 0 HE1 TRP A 62 23.639 -13.075 6.087 1.00 63.15 H new ATOM 0 HE3 TRP A 62 18.429 -11.639 6.077 1.00 42.15 H new ATOM 0 HZ2 TRP A 62 22.604 -12.715 3.467 1.00 54.12 H new ATOM 0 HZ3 TRP A 62 18.478 -11.580 3.592 1.00 64.13 H new ATOM 0 HH2 TRP A 62 20.472 -12.091 2.293 1.00 24.44 H new ATOM 905 N THR A 63 18.850 -9.599 10.833 1.00 32.22 N ATOM 906 CA THR A 63 17.878 -9.201 11.837 1.00 12.12 C ATOM 907 C THR A 63 16.698 -8.481 11.181 1.00 31.22 C ATOM 908 O THR A 63 16.891 -7.598 10.347 1.00 72.33 O ATOM 909 CB THR A 63 18.601 -8.352 12.885 1.00 60.22 C ATOM 910 OG1 THR A 63 17.561 -7.915 13.755 1.00 1.23 O ATOM 911 CG2 THR A 63 19.167 -7.057 12.300 1.00 52.43 C ATOM 0 H THR A 63 19.061 -8.884 10.137 1.00 32.22 H new ATOM 0 HA THR A 63 17.450 -10.069 12.339 1.00 12.12 H new ATOM 0 HB THR A 63 19.409 -8.933 13.328 1.00 60.22 H new ATOM 0 HG1 THR A 63 17.942 -7.359 14.466 1.00 1.23 H new ATOM 0 HG21 THR A 63 19.670 -6.492 13.085 1.00 52.43 H new ATOM 0 HG22 THR A 63 19.880 -7.295 11.511 1.00 52.43 H new ATOM 0 HG23 THR A 63 18.355 -6.459 11.886 1.00 52.43 H new ATOM 919 N TYR A 64 15.502 -8.885 11.583 1.00 31.42 N ATOM 920 CA TYR A 64 14.291 -8.290 11.045 1.00 73.11 C ATOM 921 C TYR A 64 13.311 -7.933 12.164 1.00 32.14 C ATOM 922 O TYR A 64 13.132 -8.703 13.107 1.00 44.10 O ATOM 923 CB TYR A 64 13.658 -9.358 10.151 1.00 54.25 C ATOM 924 CG TYR A 64 12.140 -9.229 10.007 1.00 71.04 C ATOM 925 CD1 TYR A 64 11.606 -8.432 9.014 1.00 31.43 C ATOM 926 CD2 TYR A 64 11.305 -9.910 10.869 1.00 14.43 C ATOM 927 CE1 TYR A 64 10.177 -8.311 8.879 1.00 64.11 C ATOM 928 CE2 TYR A 64 9.876 -9.788 10.734 1.00 62.41 C ATOM 929 CZ TYR A 64 9.383 -8.995 9.745 1.00 21.14 C ATOM 930 OH TYR A 64 8.034 -8.881 9.618 1.00 51.44 O ATOM 0 H TYR A 64 15.346 -9.618 12.275 1.00 31.42 H new ATOM 0 HA TYR A 64 14.522 -7.373 10.502 1.00 73.11 H new ATOM 0 HB2 TYR A 64 14.112 -9.305 9.162 1.00 54.25 H new ATOM 0 HB3 TYR A 64 13.892 -10.342 10.557 1.00 54.25 H new ATOM 0 HD1 TYR A 64 12.259 -7.900 8.339 1.00 31.43 H new ATOM 0 HD2 TYR A 64 11.723 -10.534 11.645 1.00 14.43 H new ATOM 0 HE1 TYR A 64 9.746 -7.691 8.107 1.00 64.11 H new ATOM 0 HE2 TYR A 64 9.211 -10.314 11.403 1.00 62.41 H new ATOM 0 HH TYR A 64 7.596 -9.319 10.377 1.00 51.44 H new ATOM 940 N ASP A 65 12.701 -6.765 12.024 1.00 63.13 N ATOM 941 CA ASP A 65 11.744 -6.297 13.011 1.00 0.34 C ATOM 942 C ASP A 65 10.369 -6.155 12.356 1.00 70.14 C ATOM 943 O ASP A 65 10.149 -5.247 11.556 1.00 64.15 O ATOM 944 CB ASP A 65 12.148 -4.928 13.564 1.00 74.23 C ATOM 945 CG ASP A 65 12.958 -4.968 14.861 1.00 52.41 C ATOM 946 OD1 ASP A 65 14.188 -4.816 14.850 1.00 4.02 O ATOM 947 OD2 ASP A 65 12.265 -5.167 15.931 1.00 52.43 O ATOM 0 H ASP A 65 12.851 -6.129 11.241 1.00 63.13 H new ATOM 0 HA ASP A 65 11.718 -7.022 13.825 1.00 0.34 H new ATOM 0 HB2 ASP A 65 12.730 -4.404 12.806 1.00 74.23 H new ATOM 0 HB3 ASP A 65 11.245 -4.341 13.735 1.00 74.23 H new ATOM 953 N ASP A 66 9.479 -7.067 12.719 1.00 51.21 N ATOM 954 CA ASP A 66 8.131 -7.055 12.176 1.00 42.01 C ATOM 955 C ASP A 66 7.433 -5.756 12.583 1.00 2.21 C ATOM 956 O ASP A 66 6.457 -5.348 11.956 1.00 72.53 O ATOM 957 CB ASP A 66 7.308 -8.224 12.720 1.00 61.44 C ATOM 958 CG ASP A 66 5.992 -8.487 11.984 1.00 45.53 C ATOM 959 OD1 ASP A 66 5.938 -8.464 10.745 1.00 11.52 O ATOM 960 OD2 ASP A 66 4.980 -8.726 12.746 1.00 13.51 O ATOM 0 H ASP A 66 9.665 -7.819 13.382 1.00 51.21 H new ATOM 0 HA ASP A 66 8.204 -7.139 11.092 1.00 42.01 H new ATOM 0 HB2 ASP A 66 7.917 -9.127 12.679 1.00 61.44 H new ATOM 0 HB3 ASP A 66 7.088 -8.036 13.771 1.00 61.44 H new ATOM 966 N ALA A 67 7.961 -5.141 13.631 1.00 24.23 N ATOM 967 CA ALA A 67 7.401 -3.897 14.130 1.00 44.53 C ATOM 968 C ALA A 67 7.482 -2.831 13.034 1.00 22.24 C ATOM 969 O ALA A 67 6.666 -1.911 12.997 1.00 64.42 O ATOM 970 CB ALA A 67 8.138 -3.479 15.404 1.00 32.43 C ATOM 0 H ALA A 67 8.771 -5.482 14.149 1.00 24.23 H new ATOM 0 HA ALA A 67 6.350 -4.026 14.389 1.00 44.53 H new ATOM 0 HB1 ALA A 67 7.717 -2.546 15.778 1.00 32.43 H new ATOM 0 HB2 ALA A 67 8.027 -4.256 16.160 1.00 32.43 H new ATOM 0 HB3 ALA A 67 9.196 -3.337 15.183 1.00 32.43 H new ATOM 976 N THR A 68 8.473 -2.991 12.170 1.00 64.10 N ATOM 977 CA THR A 68 8.671 -2.054 11.077 1.00 65.41 C ATOM 978 C THR A 68 8.972 -2.806 9.779 1.00 41.04 C ATOM 979 O THR A 68 9.376 -2.201 8.786 1.00 20.44 O ATOM 980 CB THR A 68 9.777 -1.079 11.485 1.00 65.15 C ATOM 981 OG1 THR A 68 10.019 -0.316 10.306 1.00 52.51 O ATOM 982 CG2 THR A 68 11.110 -1.783 11.752 1.00 55.31 C ATOM 0 H THR A 68 9.148 -3.755 12.204 1.00 64.10 H new ATOM 0 HA THR A 68 7.767 -1.478 10.880 1.00 65.41 H new ATOM 0 HB THR A 68 9.469 -0.534 12.377 1.00 65.15 H new ATOM 0 HG1 THR A 68 9.845 -0.870 9.516 1.00 52.51 H new ATOM 0 HG21 THR A 68 11.860 -1.046 12.038 1.00 55.31 H new ATOM 0 HG22 THR A 68 10.985 -2.505 12.559 1.00 55.31 H new ATOM 0 HG23 THR A 68 11.435 -2.300 10.850 1.00 55.31 H new ATOM 990 N LYS A 69 8.764 -4.113 9.827 1.00 34.44 N ATOM 991 CA LYS A 69 9.007 -4.954 8.667 1.00 3.05 C ATOM 992 C LYS A 69 10.284 -4.488 7.965 1.00 63.50 C ATOM 993 O LYS A 69 10.273 -4.215 6.766 1.00 52.31 O ATOM 994 CB LYS A 69 7.778 -4.979 7.756 1.00 24.14 C ATOM 995 CG LYS A 69 6.836 -6.122 8.138 1.00 31.24 C ATOM 996 CD LYS A 69 5.806 -5.661 9.171 1.00 35.32 C ATOM 997 CE LYS A 69 4.554 -5.106 8.488 1.00 64.45 C ATOM 998 NZ LYS A 69 3.729 -6.208 7.945 1.00 74.24 N ATOM 0 H LYS A 69 8.430 -4.611 10.652 1.00 34.44 H new ATOM 0 HA LYS A 69 9.169 -5.988 8.972 1.00 3.05 H new ATOM 0 HB2 LYS A 69 7.249 -4.028 7.826 1.00 24.14 H new ATOM 0 HB3 LYS A 69 8.092 -5.093 6.719 1.00 24.14 H new ATOM 0 HG2 LYS A 69 6.325 -6.490 7.248 1.00 31.24 H new ATOM 0 HG3 LYS A 69 7.413 -6.954 8.541 1.00 31.24 H new ATOM 0 HD2 LYS A 69 5.533 -6.497 9.815 1.00 35.32 H new ATOM 0 HD3 LYS A 69 6.245 -4.896 9.811 1.00 35.32 H new ATOM 0 HE2 LYS A 69 3.971 -4.525 9.202 1.00 64.45 H new ATOM 0 HE3 LYS A 69 4.841 -4.428 7.684 1.00 64.45 H new ATOM 0 HZ1 LYS A 69 2.774 -5.855 7.732 1.00 74.24 H new ATOM 0 HZ2 LYS A 69 4.166 -6.572 7.074 1.00 74.24 H new ATOM 0 HZ3 LYS A 69 3.666 -6.973 8.647 1.00 74.24 H new ATOM 1011 N THR A 70 11.355 -4.413 8.742 1.00 70.23 N ATOM 1012 CA THR A 70 12.637 -3.986 8.209 1.00 5.50 C ATOM 1013 C THR A 70 13.721 -5.014 8.538 1.00 3.01 C ATOM 1014 O THR A 70 13.771 -5.534 9.652 1.00 42.13 O ATOM 1015 CB THR A 70 12.937 -2.590 8.760 1.00 13.01 C ATOM 1016 OG1 THR A 70 12.053 -1.735 8.040 1.00 72.42 O ATOM 1017 CG2 THR A 70 14.332 -2.094 8.373 1.00 34.44 C ATOM 0 H THR A 70 11.361 -4.641 9.736 1.00 70.23 H new ATOM 0 HA THR A 70 12.612 -3.924 7.121 1.00 5.50 H new ATOM 0 HB THR A 70 12.844 -2.602 9.846 1.00 13.01 H new ATOM 0 HG1 THR A 70 11.131 -1.904 8.325 1.00 72.42 H new ATOM 0 HG21 THR A 70 14.493 -1.100 8.789 1.00 34.44 H new ATOM 0 HG22 THR A 70 15.084 -2.778 8.767 1.00 34.44 H new ATOM 0 HG23 THR A 70 14.414 -2.050 7.287 1.00 34.44 H new ATOM 1025 N PHE A 71 14.562 -5.277 7.549 1.00 45.22 N ATOM 1026 CA PHE A 71 15.642 -6.234 7.719 1.00 5.12 C ATOM 1027 C PHE A 71 17.005 -5.554 7.574 1.00 65.23 C ATOM 1028 O PHE A 71 17.180 -4.680 6.726 1.00 11.02 O ATOM 1029 CB PHE A 71 15.489 -7.283 6.616 1.00 14.11 C ATOM 1030 CG PHE A 71 14.087 -7.889 6.525 1.00 54.22 C ATOM 1031 CD1 PHE A 71 13.036 -7.117 6.136 1.00 23.02 C ATOM 1032 CD2 PHE A 71 13.891 -9.199 6.832 1.00 14.13 C ATOM 1033 CE1 PHE A 71 11.735 -7.679 6.052 1.00 61.35 C ATOM 1034 CE2 PHE A 71 12.589 -9.761 6.748 1.00 64.23 C ATOM 1035 CZ PHE A 71 11.539 -8.989 6.359 1.00 21.51 C ATOM 0 H PHE A 71 14.517 -4.844 6.627 1.00 45.22 H new ATOM 0 HA PHE A 71 15.591 -6.679 8.713 1.00 5.12 H new ATOM 0 HB2 PHE A 71 15.740 -6.828 5.658 1.00 14.11 H new ATOM 0 HB3 PHE A 71 16.209 -8.083 6.787 1.00 14.11 H new ATOM 0 HD1 PHE A 71 13.192 -6.077 5.891 1.00 23.02 H new ATOM 0 HD2 PHE A 71 14.725 -9.812 7.140 1.00 14.13 H new ATOM 0 HE1 PHE A 71 10.901 -7.066 5.744 1.00 61.35 H new ATOM 0 HE2 PHE A 71 12.433 -10.801 6.993 1.00 64.23 H new ATOM 0 HZ PHE A 71 10.549 -9.417 6.294 1.00 21.51 H new ATOM 1045 N THR A 72 17.937 -5.982 8.413 1.00 11.24 N ATOM 1046 CA THR A 72 19.279 -5.425 8.389 1.00 71.40 C ATOM 1047 C THR A 72 20.321 -6.546 8.406 1.00 10.52 C ATOM 1048 O THR A 72 20.232 -7.469 9.214 1.00 53.11 O ATOM 1049 CB THR A 72 19.410 -4.455 9.565 1.00 61.42 C ATOM 1050 OG1 THR A 72 18.136 -3.821 9.635 1.00 42.41 O ATOM 1051 CG2 THR A 72 20.382 -3.310 9.273 1.00 14.24 C ATOM 0 H THR A 72 17.789 -6.708 9.114 1.00 11.24 H new ATOM 0 HA THR A 72 19.460 -4.869 7.469 1.00 71.40 H new ATOM 0 HB THR A 72 19.745 -4.998 10.449 1.00 61.42 H new ATOM 0 HG1 THR A 72 18.132 -3.176 10.373 1.00 42.41 H new ATOM 0 HG21 THR A 72 20.438 -2.651 10.139 1.00 14.24 H new ATOM 0 HG22 THR A 72 21.371 -3.717 9.062 1.00 14.24 H new ATOM 0 HG23 THR A 72 20.030 -2.745 8.410 1.00 14.24 H new ATOM 1059 N VAL A 73 21.285 -6.427 7.505 1.00 22.03 N ATOM 1060 CA VAL A 73 22.343 -7.418 7.407 1.00 62.12 C ATOM 1061 C VAL A 73 23.662 -6.798 7.873 1.00 40.02 C ATOM 1062 O VAL A 73 24.142 -5.834 7.279 1.00 5.44 O ATOM 1063 CB VAL A 73 22.413 -7.970 5.981 1.00 14.52 C ATOM 1064 CG1 VAL A 73 23.705 -7.534 5.287 1.00 13.12 C ATOM 1065 CG2 VAL A 73 22.274 -9.493 5.975 1.00 33.24 C ATOM 0 H VAL A 73 21.356 -5.660 6.837 1.00 22.03 H new ATOM 0 HA VAL A 73 22.134 -8.265 8.060 1.00 62.12 H new ATOM 0 HB VAL A 73 21.575 -7.555 5.420 1.00 14.52 H new ATOM 0 HG11 VAL A 73 23.729 -7.940 4.276 1.00 13.12 H new ATOM 0 HG12 VAL A 73 23.745 -6.446 5.243 1.00 13.12 H new ATOM 0 HG13 VAL A 73 24.563 -7.906 5.848 1.00 13.12 H new ATOM 0 HG21 VAL A 73 22.327 -9.859 4.950 1.00 33.24 H new ATOM 0 HG22 VAL A 73 23.081 -9.934 6.560 1.00 33.24 H new ATOM 0 HG23 VAL A 73 21.315 -9.773 6.411 1.00 33.24 H new ATOM 1075 N THR A 74 24.210 -7.377 8.931 1.00 70.10 N ATOM 1076 CA THR A 74 25.464 -6.893 9.483 1.00 32.34 C ATOM 1077 C THR A 74 26.604 -7.854 9.140 1.00 33.55 C ATOM 1078 O THR A 74 26.577 -9.020 9.533 1.00 72.04 O ATOM 1079 CB THR A 74 25.271 -6.691 10.988 1.00 60.43 C ATOM 1080 OG1 THR A 74 23.952 -6.164 11.101 1.00 30.40 O ATOM 1081 CG2 THR A 74 26.164 -5.583 11.549 1.00 24.41 C ATOM 0 H THR A 74 23.809 -8.177 9.421 1.00 70.10 H new ATOM 0 HA THR A 74 25.746 -5.935 9.045 1.00 32.34 H new ATOM 0 HB THR A 74 25.480 -7.625 11.509 1.00 60.43 H new ATOM 0 HG1 THR A 74 23.743 -6.005 12.045 1.00 30.40 H new ATOM 0 HG21 THR A 74 25.988 -5.481 12.620 1.00 24.41 H new ATOM 0 HG22 THR A 74 27.210 -5.836 11.376 1.00 24.41 H new ATOM 0 HG23 THR A 74 25.931 -4.641 11.052 1.00 24.41 H new ATOM 1089 N GLU A 75 27.578 -7.330 8.412 1.00 3.02 N ATOM 1090 CA GLU A 75 28.725 -8.127 8.012 1.00 45.10 C ATOM 1091 C GLU A 75 29.862 -7.967 9.024 1.00 72.11 C ATOM 1092 O GLU A 75 30.754 -7.142 8.835 1.00 24.03 O ATOM 1093 CB GLU A 75 29.189 -7.752 6.603 1.00 2.41 C ATOM 1094 CG GLU A 75 29.932 -8.915 5.942 1.00 15.31 C ATOM 1095 CD GLU A 75 31.142 -9.338 6.777 1.00 41.43 C ATOM 1096 OE1 GLU A 75 31.031 -10.246 7.614 1.00 44.32 O ATOM 1097 OE2 GLU A 75 32.228 -8.687 6.530 1.00 4.12 O ATOM 0 H GLU A 75 27.597 -6.363 8.088 1.00 3.02 H new ATOM 0 HA GLU A 75 28.426 -9.175 7.994 1.00 45.10 H new ATOM 0 HB2 GLU A 75 28.328 -7.473 5.995 1.00 2.41 H new ATOM 0 HB3 GLU A 75 29.841 -6.880 6.651 1.00 2.41 H new ATOM 0 HG2 GLU A 75 29.256 -9.761 5.821 1.00 15.31 H new ATOM 0 HG3 GLU A 75 30.259 -8.622 4.944 1.00 15.31 H new