USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=23 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 64 TYR OH : rot 173:sc= -0.119 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -143:sc= -3.84! (180deg=-6.07!) USER MOD Set 2.1: A 68 THR OG1 : rot 1:sc= 0.967 USER MOD Set 2.2: A 70 THR OG1 : rot 69:sc= -0.691 USER MOD Set 3.1: A 35 THR OG1 : rot 83:sc= -0.578! USER MOD Set 3.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.00526 USER MOD Set 4.2: A 6 ASN :FLIP amide:sc= -2.43! F(o=-4,f=-2.4!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.12) USER MOD Single : A 11 TYR OH : rot -55:sc= 1.24 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.527 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -128:sc= -0.414 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.25) 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 -160:sc= 0 USER MOD Single : A 38 CYS SG : rot -79:sc= -1.33 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -2.76! (180deg=-4.13!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.25) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 56 ASN :FLIP amide:sc= -13.3! C(o=-14!,f=-13!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0856 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.594 -0.839 -3.829 1.00 2.02 N ATOM 12 CA TYR A 2 0.024 -2.020 -4.454 1.00 64.25 C ATOM 13 C TYR A 2 0.986 -2.612 -5.487 1.00 2.12 C ATOM 14 O TYR A 2 1.985 -1.987 -5.840 1.00 53.53 O ATOM 15 CB TYR A 2 -1.244 -1.549 -5.168 1.00 51.22 C ATOM 16 CG TYR A 2 -2.446 -1.359 -4.241 1.00 2.43 C ATOM 17 CD1 TYR A 2 -2.932 -2.426 -3.514 1.00 35.11 C ATOM 18 CD2 TYR A 2 -3.043 -0.119 -4.131 1.00 34.34 C ATOM 19 CE1 TYR A 2 -4.064 -2.247 -2.641 1.00 25.01 C ATOM 20 CE2 TYR A 2 -4.174 0.060 -3.258 1.00 34.24 C ATOM 21 CZ TYR A 2 -4.629 -1.013 -2.556 1.00 3.11 C ATOM 22 OH TYR A 2 -5.697 -0.844 -1.731 1.00 40.23 O ATOM 0 HA TYR A 2 -0.177 -2.789 -3.708 1.00 64.25 H new ATOM 0 HB2 TYR A 2 -1.035 -0.606 -5.673 1.00 51.22 H new ATOM 0 HB3 TYR A 2 -1.504 -2.273 -5.940 1.00 51.22 H new ATOM 0 HD1 TYR A 2 -2.464 -3.396 -3.599 1.00 35.11 H new ATOM 0 HD2 TYR A 2 -2.662 0.716 -4.700 1.00 34.34 H new ATOM 0 HE1 TYR A 2 -4.455 -3.074 -2.067 1.00 25.01 H new ATOM 0 HE2 TYR A 2 -4.651 1.024 -3.163 1.00 34.24 H new ATOM 0 HH TYR A 2 -5.996 0.088 -1.770 1.00 40.23 H new ATOM 32 N VAL A 3 0.652 -3.811 -5.941 1.00 54.44 N ATOM 33 CA VAL A 3 1.473 -4.494 -6.926 1.00 42.31 C ATOM 34 C VAL A 3 0.584 -4.999 -8.064 1.00 33.02 C ATOM 35 O VAL A 3 -0.492 -5.537 -7.889 1.00 50.30 O ATOM 36 CB VAL A 3 2.276 -5.609 -6.254 1.00 62.54 C ATOM 37 CG1 VAL A 3 1.551 -6.952 -6.368 1.00 13.32 C ATOM 38 CG2 VAL A 3 3.687 -5.698 -6.839 1.00 3.40 C ATOM 0 H VAL A 3 -0.176 -4.327 -5.645 1.00 54.44 H new ATOM 0 HA VAL A 3 2.198 -3.807 -7.362 1.00 42.31 H new ATOM 0 HB VAL A 3 2.366 -5.365 -5.196 1.00 62.54 H new ATOM 0 HG11 VAL A 3 2.143 -7.728 -5.882 1.00 13.32 H new ATOM 0 HG12 VAL A 3 0.577 -6.882 -5.883 1.00 13.32 H new ATOM 0 HG13 VAL A 3 1.416 -7.204 -7.420 1.00 13.32 H new ATOM 0 HG21 VAL A 3 4.236 -6.499 -6.344 1.00 3.40 H new ATOM 0 HG22 VAL A 3 3.626 -5.907 -7.907 1.00 3.40 H new ATOM 0 HG23 VAL A 3 4.206 -4.752 -6.684 1.00 3.40 H new ATOM 48 N ASP A 4 1.063 -4.813 -9.263 1.00 11.44 N ATOM 49 CA ASP A 4 0.294 -5.266 -10.455 1.00 75.53 C ATOM 50 C ASP A 4 0.789 -6.645 -10.905 1.00 2.13 C ATOM 51 O ASP A 4 2.002 -6.849 -10.904 1.00 2.14 O ATOM 52 CB ASP A 4 0.576 -4.217 -11.531 1.00 70.21 C ATOM 53 CG ASP A 4 -0.271 -4.514 -12.770 1.00 4.11 C ATOM 54 OD1 ASP A 4 -0.874 -5.574 -12.812 1.00 21.02 O ATOM 55 OD2 ASP A 4 -0.301 -3.678 -13.658 1.00 14.40 O ATOM 0 H ASP A 4 1.956 -4.366 -9.469 1.00 11.44 H new ATOM 0 HA ASP A 4 -0.772 -5.360 -10.250 1.00 75.53 H new ATOM 0 HB2 ASP A 4 0.347 -3.221 -11.151 1.00 70.21 H new ATOM 0 HB3 ASP A 4 1.634 -4.223 -11.791 1.00 70.21 H new ATOM 60 N THR A 5 -0.122 -7.538 -11.264 1.00 5.50 N ATOM 61 CA THR A 5 0.266 -8.869 -11.698 1.00 31.14 C ATOM 62 C THR A 5 0.089 -9.010 -13.211 1.00 0.32 C ATOM 63 O THR A 5 0.034 -10.122 -13.732 1.00 73.42 O ATOM 64 CB THR A 5 -0.549 -9.884 -10.894 1.00 13.03 C ATOM 65 OG1 THR A 5 -1.902 -9.587 -11.229 1.00 1.51 O ATOM 66 CG2 THR A 5 -0.475 -9.632 -9.386 1.00 71.33 C ATOM 0 H THR A 5 -1.127 -7.366 -11.263 1.00 5.50 H new ATOM 0 HA THR A 5 1.323 -9.054 -11.508 1.00 31.14 H new ATOM 0 HB THR A 5 -0.191 -10.890 -11.112 1.00 13.03 H new ATOM 0 HG1 THR A 5 -2.499 -10.200 -10.752 1.00 1.51 H new ATOM 0 HG21 THR A 5 -1.070 -10.380 -8.862 1.00 71.33 H new ATOM 0 HG22 THR A 5 0.562 -9.698 -9.057 1.00 71.33 H new ATOM 0 HG23 THR A 5 -0.864 -8.638 -9.164 1.00 71.33 H new ATOM 74 N ASN A 6 0.005 -7.865 -13.873 1.00 63.43 N ATOM 75 CA ASN A 6 -0.164 -7.847 -15.316 1.00 52.23 C ATOM 76 C ASN A 6 1.110 -7.307 -15.968 1.00 42.32 C ATOM 77 O ASN A 6 1.399 -7.614 -17.124 1.00 13.41 O ATOM 78 CB ASN A 6 -1.325 -6.937 -15.723 1.00 32.22 C ATOM 79 CG ASN A 6 -2.510 -7.101 -14.769 1.00 0.34 C ATOM 80 OD1 ASN A 6 -2.663 -8.337 -14.303 1.00 32.24 O flip ATOM 81 ND2 ASN A 6 -3.237 -6.166 -14.475 1.00 22.02 N flip ATOM 0 H ASN A 6 0.051 -6.944 -13.437 1.00 63.43 H new ATOM 0 HA ASN A 6 -0.371 -8.866 -15.644 1.00 52.23 H new ATOM 0 HB2 ASN A 6 -0.995 -5.898 -15.723 1.00 32.22 H new ATOM 0 HB3 ASN A 6 -1.637 -7.173 -16.740 1.00 32.22 H new ATOM 0 HD21 ASN A 6 -3.063 -5.241 -14.869 1.00 22.02 H new ATOM 0 HD22 ASN A 6 -4.018 -6.309 -13.835 1.00 22.02 H new ATOM 88 N ASN A 7 1.839 -6.512 -15.199 1.00 10.52 N ATOM 89 CA ASN A 7 3.076 -5.926 -15.687 1.00 11.30 C ATOM 90 C ASN A 7 2.753 -4.685 -16.522 1.00 12.01 C ATOM 91 O ASN A 7 3.485 -4.351 -17.452 1.00 52.51 O ATOM 92 CB ASN A 7 3.837 -6.910 -16.577 1.00 44.44 C ATOM 93 CG ASN A 7 5.331 -6.580 -16.606 1.00 23.33 C ATOM 94 OD1 ASN A 7 5.933 -6.395 -17.651 1.00 12.42 O ATOM 95 ND2 ASN A 7 5.894 -6.519 -15.402 1.00 45.44 N ATOM 0 H ASN A 7 1.597 -6.260 -14.241 1.00 10.52 H new ATOM 0 HA ASN A 7 3.691 -5.669 -14.825 1.00 11.30 H new ATOM 0 HB2 ASN A 7 3.692 -7.926 -16.209 1.00 44.44 H new ATOM 0 HB3 ASN A 7 3.434 -6.877 -17.589 1.00 44.44 H new ATOM 0 HD21 ASN A 7 6.888 -6.307 -15.314 1.00 45.44 H new ATOM 0 HD22 ASN A 7 5.332 -6.684 -14.567 1.00 45.44 H new ATOM 102 N ASP A 8 1.656 -4.036 -16.159 1.00 71.35 N ATOM 103 CA ASP A 8 1.227 -2.840 -16.864 1.00 11.25 C ATOM 104 C ASP A 8 1.572 -1.608 -16.024 1.00 73.10 C ATOM 105 O ASP A 8 1.824 -0.533 -16.567 1.00 23.54 O ATOM 106 CB ASP A 8 -0.286 -2.848 -17.092 1.00 42.20 C ATOM 107 CG ASP A 8 -1.123 -2.396 -15.894 1.00 52.50 C ATOM 108 OD1 ASP A 8 -0.969 -1.217 -15.506 1.00 23.40 O ATOM 109 OD2 ASP A 8 -1.899 -3.238 -15.393 1.00 61.23 O ATOM 0 H ASP A 8 1.052 -4.316 -15.386 1.00 71.35 H new ATOM 0 HA ASP A 8 1.737 -2.815 -17.827 1.00 11.25 H new ATOM 0 HB2 ASP A 8 -0.514 -2.202 -17.940 1.00 42.20 H new ATOM 0 HB3 ASP A 8 -0.591 -3.857 -17.369 1.00 42.20 H new ATOM 114 N GLY A 9 1.571 -1.805 -14.714 1.00 23.41 N ATOM 115 CA GLY A 9 1.881 -0.724 -13.794 1.00 51.01 C ATOM 116 C GLY A 9 0.605 -0.021 -13.325 1.00 25.12 C ATOM 117 O GLY A 9 0.580 1.201 -13.188 1.00 24.02 O ATOM 0 H GLY A 9 1.360 -2.698 -14.268 1.00 23.41 H new ATOM 0 HA2 GLY A 9 2.421 -1.118 -12.933 1.00 51.01 H new ATOM 0 HA3 GLY A 9 2.539 -0.004 -14.281 1.00 51.01 H new ATOM 121 N ALA A 10 -0.423 -0.824 -13.091 1.00 45.32 N ATOM 122 CA ALA A 10 -1.698 -0.294 -12.640 1.00 52.12 C ATOM 123 C ALA A 10 -2.341 -1.284 -11.666 1.00 41.35 C ATOM 124 O ALA A 10 -2.135 -2.491 -11.777 1.00 74.44 O ATOM 125 CB ALA A 10 -2.588 -0.006 -13.851 1.00 12.42 C ATOM 0 H ALA A 10 -0.398 -1.837 -13.205 1.00 45.32 H new ATOM 0 HA ALA A 10 -1.556 0.647 -12.108 1.00 52.12 H new ATOM 0 HB1 ALA A 10 -3.545 0.392 -13.513 1.00 12.42 H new ATOM 0 HB2 ALA A 10 -2.099 0.724 -14.496 1.00 12.42 H new ATOM 0 HB3 ALA A 10 -2.755 -0.928 -14.408 1.00 12.42 H new ATOM 131 N TYR A 11 -3.106 -0.735 -10.734 1.00 71.33 N ATOM 132 CA TYR A 11 -3.780 -1.555 -9.742 1.00 12.13 C ATOM 133 C TYR A 11 -5.277 -1.658 -10.041 1.00 12.02 C ATOM 134 O TYR A 11 -5.993 -0.659 -9.997 1.00 1.45 O ATOM 135 CB TYR A 11 -3.588 -0.840 -8.403 1.00 42.40 C ATOM 136 CG TYR A 11 -2.125 -0.564 -8.049 1.00 71.13 C ATOM 137 CD1 TYR A 11 -1.188 -1.572 -8.156 1.00 43.52 C ATOM 138 CD2 TYR A 11 -1.743 0.692 -7.623 1.00 62.33 C ATOM 139 CE1 TYR A 11 0.189 -1.312 -7.823 1.00 61.23 C ATOM 140 CE2 TYR A 11 -0.366 0.951 -7.290 1.00 70.14 C ATOM 141 CZ TYR A 11 0.532 -0.064 -7.407 1.00 10.21 C ATOM 142 OH TYR A 11 1.832 0.181 -7.092 1.00 43.15 O ATOM 0 H TYR A 11 -3.274 0.267 -10.645 1.00 71.33 H new ATOM 0 HA TYR A 11 -3.372 -2.566 -9.739 1.00 12.13 H new ATOM 0 HB2 TYR A 11 -4.130 0.105 -8.427 1.00 42.40 H new ATOM 0 HB3 TYR A 11 -4.035 -1.444 -7.613 1.00 42.40 H new ATOM 0 HD1 TYR A 11 -1.487 -2.555 -8.489 1.00 43.52 H new ATOM 0 HD2 TYR A 11 -2.476 1.480 -7.539 1.00 62.33 H new ATOM 0 HE1 TYR A 11 0.933 -2.091 -7.902 1.00 61.23 H new ATOM 0 HE2 TYR A 11 -0.053 1.929 -6.955 1.00 70.14 H new ATOM 0 HH TYR A 11 2.133 -0.465 -6.419 1.00 43.15 H new ATOM 152 N GLU A 12 -5.706 -2.876 -10.339 1.00 11.43 N ATOM 153 CA GLU A 12 -7.105 -3.122 -10.645 1.00 61.31 C ATOM 154 C GLU A 12 -7.412 -4.619 -10.557 1.00 1.54 C ATOM 155 O GLU A 12 -6.900 -5.409 -11.349 1.00 14.45 O ATOM 156 CB GLU A 12 -7.470 -2.568 -12.024 1.00 33.24 C ATOM 157 CG GLU A 12 -6.902 -3.450 -13.137 1.00 62.12 C ATOM 158 CD GLU A 12 -5.425 -3.764 -12.888 1.00 52.13 C ATOM 159 OE1 GLU A 12 -4.678 -2.799 -12.617 1.00 60.21 O ATOM 160 OE2 GLU A 12 -5.077 -4.961 -12.975 1.00 20.33 O ATOM 0 H GLU A 12 -5.110 -3.703 -10.375 1.00 11.43 H new ATOM 0 HA GLU A 12 -7.715 -2.601 -9.907 1.00 61.31 H new ATOM 0 HB2 GLU A 12 -8.554 -2.508 -12.120 1.00 33.24 H new ATOM 0 HB3 GLU A 12 -7.084 -1.554 -12.126 1.00 33.24 H new ATOM 0 HG2 GLU A 12 -7.470 -4.378 -13.196 1.00 62.12 H new ATOM 0 HG3 GLU A 12 -7.014 -2.947 -14.097 1.00 62.12 H new ATOM 167 N GLY A 13 -8.246 -4.963 -9.586 1.00 45.31 N ATOM 168 CA GLY A 13 -8.627 -6.350 -9.384 1.00 23.22 C ATOM 169 C GLY A 13 -7.999 -6.911 -8.106 1.00 13.52 C ATOM 170 O GLY A 13 -8.274 -6.424 -7.010 1.00 52.11 O ATOM 0 H GLY A 13 -8.668 -4.305 -8.931 1.00 45.31 H new ATOM 0 HA2 GLY A 13 -9.713 -6.428 -9.324 1.00 23.22 H new ATOM 0 HA3 GLY A 13 -8.311 -6.946 -10.240 1.00 23.22 H new ATOM 174 N ASP A 14 -7.168 -7.926 -8.289 1.00 11.03 N ATOM 175 CA ASP A 14 -6.499 -8.558 -7.164 1.00 14.31 C ATOM 176 C ASP A 14 -5.325 -7.684 -6.718 1.00 63.45 C ATOM 177 O ASP A 14 -4.807 -7.850 -5.615 1.00 12.51 O ATOM 178 CB ASP A 14 -5.947 -9.931 -7.552 1.00 13.32 C ATOM 179 CG ASP A 14 -6.925 -10.829 -8.312 1.00 65.43 C ATOM 180 OD1 ASP A 14 -7.936 -11.285 -7.759 1.00 12.03 O ATOM 181 OD2 ASP A 14 -6.609 -11.061 -9.541 1.00 64.04 O ATOM 0 H ASP A 14 -6.942 -8.327 -9.199 1.00 11.03 H new ATOM 0 HA ASP A 14 -7.227 -8.676 -6.361 1.00 14.31 H new ATOM 0 HB2 ASP A 14 -5.057 -9.788 -8.165 1.00 13.32 H new ATOM 0 HB3 ASP A 14 -5.631 -10.448 -6.646 1.00 13.32 H new ATOM 187 N GLU A 15 -4.938 -6.774 -7.600 1.00 10.00 N ATOM 188 CA GLU A 15 -3.834 -5.874 -7.311 1.00 60.45 C ATOM 189 C GLU A 15 -4.242 -4.858 -6.243 1.00 35.40 C ATOM 190 O GLU A 15 -3.417 -4.072 -5.781 1.00 22.52 O ATOM 191 CB GLU A 15 -3.354 -5.171 -8.582 1.00 42.42 C ATOM 192 CG GLU A 15 -3.115 -6.177 -9.710 1.00 13.03 C ATOM 193 CD GLU A 15 -3.257 -5.510 -11.079 1.00 54.23 C ATOM 194 OE1 GLU A 15 -3.558 -4.297 -11.091 1.00 54.41 O ATOM 195 OE2 GLU A 15 -3.062 -6.228 -12.083 1.00 60.24 O ATOM 0 H GLU A 15 -5.369 -6.641 -8.515 1.00 10.00 H new ATOM 0 HA GLU A 15 -3.002 -6.463 -6.924 1.00 60.45 H new ATOM 0 HB2 GLU A 15 -4.095 -4.436 -8.897 1.00 42.42 H new ATOM 0 HB3 GLU A 15 -2.433 -4.627 -8.375 1.00 42.42 H new ATOM 0 HG2 GLU A 15 -2.118 -6.607 -9.613 1.00 13.03 H new ATOM 0 HG3 GLU A 15 -3.827 -6.998 -9.626 1.00 13.03 H new ATOM 202 N LEU A 16 -5.516 -4.907 -5.882 1.00 32.24 N ATOM 203 CA LEU A 16 -6.044 -4.001 -4.876 1.00 52.32 C ATOM 204 C LEU A 16 -6.240 -4.761 -3.563 1.00 10.11 C ATOM 205 O LEU A 16 -7.111 -4.416 -2.766 1.00 31.01 O ATOM 206 CB LEU A 16 -7.314 -3.316 -5.386 1.00 31.32 C ATOM 207 CG LEU A 16 -7.416 -3.135 -6.902 1.00 11.13 C ATOM 208 CD1 LEU A 16 -8.808 -2.642 -7.302 1.00 60.34 C ATOM 209 CD2 LEU A 16 -6.311 -2.212 -7.419 1.00 64.41 C ATOM 0 H LEU A 16 -6.198 -5.560 -6.268 1.00 32.24 H new ATOM 0 HA LEU A 16 -5.334 -3.198 -4.676 1.00 52.32 H new ATOM 0 HB2 LEU A 16 -8.175 -3.894 -5.050 1.00 31.32 H new ATOM 0 HB3 LEU A 16 -7.387 -2.335 -4.917 1.00 31.32 H new ATOM 0 HG LEU A 16 -7.270 -4.107 -7.373 1.00 11.13 H new ATOM 0 HD11 LEU A 16 -8.854 -2.521 -8.384 1.00 60.34 H new ATOM 0 HD12 LEU A 16 -9.556 -3.369 -6.986 1.00 60.34 H new ATOM 0 HD13 LEU A 16 -9.007 -1.684 -6.821 1.00 60.34 H new ATOM 0 HD21 LEU A 16 -6.406 -2.100 -8.499 1.00 64.41 H new ATOM 0 HD22 LEU A 16 -6.401 -1.235 -6.944 1.00 64.41 H new ATOM 0 HD23 LEU A 16 -5.338 -2.642 -7.183 1.00 64.41 H new ATOM 221 N SER A 17 -5.415 -5.781 -3.378 1.00 73.33 N ATOM 222 CA SER A 17 -5.487 -6.593 -2.175 1.00 61.23 C ATOM 223 C SER A 17 -4.597 -5.993 -1.085 1.00 13.50 C ATOM 224 O SER A 17 -4.801 -6.252 0.100 1.00 24.10 O ATOM 225 CB SER A 17 -5.074 -8.038 -2.461 1.00 21.41 C ATOM 226 OG SER A 17 -5.410 -8.912 -1.387 1.00 35.05 O ATOM 0 H SER A 17 -4.693 -6.064 -4.041 1.00 73.33 H new ATOM 0 HA SER A 17 -6.520 -6.600 -1.828 1.00 61.23 H new ATOM 0 HB2 SER A 17 -5.562 -8.381 -3.373 1.00 21.41 H new ATOM 0 HB3 SER A 17 -3.999 -8.079 -2.639 1.00 21.41 H new ATOM 0 HG SER A 17 -5.131 -9.825 -1.609 1.00 35.05 H new ATOM 232 N GLY A 18 -3.630 -5.201 -1.525 1.00 11.14 N ATOM 233 CA GLY A 18 -2.709 -4.561 -0.601 1.00 24.31 C ATOM 234 C GLY A 18 -1.378 -5.315 -0.543 1.00 75.21 C ATOM 235 O GLY A 18 -1.359 -6.540 -0.433 1.00 75.23 O ATOM 0 H GLY A 18 -3.464 -4.988 -2.509 1.00 11.14 H new ATOM 0 HA2 GLY A 18 -2.534 -3.531 -0.911 1.00 24.31 H new ATOM 0 HA3 GLY A 18 -3.153 -4.523 0.394 1.00 24.31 H new ATOM 239 N THR A 19 -0.298 -4.552 -0.620 1.00 14.34 N ATOM 240 CA THR A 19 1.033 -5.132 -0.577 1.00 70.34 C ATOM 241 C THR A 19 1.769 -4.686 0.687 1.00 23.44 C ATOM 242 O THR A 19 1.266 -3.857 1.444 1.00 74.35 O ATOM 243 CB THR A 19 1.757 -4.749 -1.869 1.00 42.44 C ATOM 244 OG1 THR A 19 0.731 -4.757 -2.858 1.00 62.22 O ATOM 245 CG2 THR A 19 2.734 -5.830 -2.336 1.00 52.14 C ATOM 0 H THR A 19 -0.318 -3.536 -0.712 1.00 14.34 H new ATOM 0 HA THR A 19 0.989 -6.220 -0.522 1.00 70.34 H new ATOM 0 HB THR A 19 2.296 -3.814 -1.719 1.00 42.44 H new ATOM 0 HG1 THR A 19 0.953 -5.410 -3.554 1.00 62.22 H new ATOM 0 HG21 THR A 19 3.221 -5.508 -3.256 1.00 52.14 H new ATOM 0 HG22 THR A 19 3.488 -5.997 -1.566 1.00 52.14 H new ATOM 0 HG23 THR A 19 2.191 -6.757 -2.518 1.00 52.14 H new ATOM 253 N MET A 20 2.950 -5.257 0.878 1.00 11.52 N ATOM 254 CA MET A 20 3.761 -4.928 2.038 1.00 32.24 C ATOM 255 C MET A 20 5.137 -4.411 1.617 1.00 44.54 C ATOM 256 O MET A 20 5.841 -5.063 0.847 1.00 30.32 O ATOM 257 CB MET A 20 3.929 -6.173 2.913 1.00 51.54 C ATOM 258 CG MET A 20 2.575 -6.817 3.215 1.00 14.13 C ATOM 259 SD MET A 20 2.794 -8.216 4.302 1.00 74.12 S ATOM 260 CE MET A 20 2.243 -7.502 5.842 1.00 3.42 C ATOM 0 H MET A 20 3.364 -5.945 0.249 1.00 11.52 H new ATOM 0 HA MET A 20 3.256 -4.143 2.600 1.00 32.24 H new ATOM 0 HB2 MET A 20 4.573 -6.893 2.408 1.00 51.54 H new ATOM 0 HB3 MET A 20 4.423 -5.902 3.846 1.00 51.54 H new ATOM 0 HG2 MET A 20 1.911 -6.087 3.678 1.00 14.13 H new ATOM 0 HG3 MET A 20 2.100 -7.137 2.288 1.00 14.13 H new ATOM 0 HE1 MET A 20 2.315 -8.247 6.635 1.00 3.42 H new ATOM 0 HE2 MET A 20 2.870 -6.646 6.091 1.00 3.42 H new ATOM 0 HE3 MET A 20 1.207 -7.177 5.742 1.00 3.42 H new ATOM 270 N GLU A 21 5.480 -3.242 2.139 1.00 65.21 N ATOM 271 CA GLU A 21 6.760 -2.630 1.826 1.00 3.51 C ATOM 272 C GLU A 21 7.754 -2.866 2.965 1.00 44.40 C ATOM 273 O GLU A 21 7.470 -2.545 4.118 1.00 3.10 O ATOM 274 CB GLU A 21 6.598 -1.135 1.541 1.00 32.13 C ATOM 275 CG GLU A 21 7.933 -0.401 1.685 1.00 75.11 C ATOM 276 CD GLU A 21 7.780 1.084 1.351 1.00 42.14 C ATOM 277 OE1 GLU A 21 7.699 1.448 0.168 1.00 42.20 O ATOM 278 OE2 GLU A 21 7.746 1.872 2.371 1.00 11.14 O ATOM 0 H GLU A 21 4.894 -2.703 2.776 1.00 65.21 H new ATOM 0 HA GLU A 21 7.153 -3.098 0.924 1.00 3.51 H new ATOM 0 HB2 GLU A 21 6.208 -0.994 0.533 1.00 32.13 H new ATOM 0 HB3 GLU A 21 5.868 -0.707 2.228 1.00 32.13 H new ATOM 0 HG2 GLU A 21 8.305 -0.512 2.703 1.00 75.11 H new ATOM 0 HG3 GLU A 21 8.673 -0.852 1.024 1.00 75.11 H new ATOM 286 N TYR A 22 8.899 -3.424 2.602 1.00 65.50 N ATOM 287 CA TYR A 22 9.937 -3.707 3.579 1.00 22.20 C ATOM 288 C TYR A 22 11.222 -2.943 3.252 1.00 74.05 C ATOM 289 O TYR A 22 11.512 -2.681 2.085 1.00 21.13 O ATOM 290 CB TYR A 22 10.212 -5.209 3.480 1.00 50.04 C ATOM 291 CG TYR A 22 8.953 -6.076 3.526 1.00 75.43 C ATOM 292 CD1 TYR A 22 8.260 -6.350 2.363 1.00 24.44 C ATOM 293 CD2 TYR A 22 8.508 -6.585 4.729 1.00 5.13 C ATOM 294 CE1 TYR A 22 7.075 -7.167 2.407 1.00 50.23 C ATOM 295 CE2 TYR A 22 7.323 -7.401 4.773 1.00 61.43 C ATOM 296 CZ TYR A 22 6.665 -7.652 3.609 1.00 31.02 C ATOM 297 OH TYR A 22 5.545 -8.423 3.650 1.00 23.11 O ATOM 0 H TYR A 22 9.131 -3.688 1.645 1.00 65.50 H new ATOM 0 HA TYR A 22 9.617 -3.405 4.576 1.00 22.20 H new ATOM 0 HB2 TYR A 22 10.745 -5.410 2.551 1.00 50.04 H new ATOM 0 HB3 TYR A 22 10.872 -5.502 4.296 1.00 50.04 H new ATOM 0 HD1 TYR A 22 8.607 -5.952 1.421 1.00 24.44 H new ATOM 0 HD2 TYR A 22 9.049 -6.371 5.639 1.00 5.13 H new ATOM 0 HE1 TYR A 22 6.524 -7.390 1.505 1.00 50.23 H new ATOM 0 HE2 TYR A 22 6.965 -7.805 5.708 1.00 61.43 H new ATOM 0 HH TYR A 22 4.927 -8.066 4.321 1.00 23.11 H new ATOM 307 N LYS A 23 11.956 -2.607 4.302 1.00 43.15 N ATOM 308 CA LYS A 23 13.203 -1.878 4.140 1.00 11.12 C ATOM 309 C LYS A 23 14.378 -2.848 4.283 1.00 52.40 C ATOM 310 O LYS A 23 14.593 -3.414 5.353 1.00 4.24 O ATOM 311 CB LYS A 23 13.261 -0.695 5.109 1.00 51.24 C ATOM 312 CG LYS A 23 14.683 -0.140 5.211 1.00 10.45 C ATOM 313 CD LYS A 23 14.708 1.157 6.024 1.00 61.41 C ATOM 314 CE LYS A 23 13.724 1.090 7.193 1.00 35.00 C ATOM 315 NZ LYS A 23 14.126 2.029 8.264 1.00 52.54 N ATOM 0 H LYS A 23 11.712 -2.826 5.268 1.00 43.15 H new ATOM 0 HA LYS A 23 13.265 -1.446 3.141 1.00 11.12 H new ATOM 0 HB2 LYS A 23 12.584 0.090 4.772 1.00 51.24 H new ATOM 0 HB3 LYS A 23 12.918 -1.010 6.094 1.00 51.24 H new ATOM 0 HG2 LYS A 23 15.333 -0.879 5.679 1.00 10.45 H new ATOM 0 HG3 LYS A 23 15.078 0.045 4.212 1.00 10.45 H new ATOM 0 HD2 LYS A 23 15.715 1.335 6.401 1.00 61.41 H new ATOM 0 HD3 LYS A 23 14.456 1.999 5.380 1.00 61.41 H new ATOM 0 HE2 LYS A 23 12.720 1.334 6.845 1.00 35.00 H new ATOM 0 HE3 LYS A 23 13.687 0.074 7.587 1.00 35.00 H new ATOM 0 HZ1 LYS A 23 13.447 1.971 9.050 1.00 52.54 H new ATOM 0 HZ2 LYS A 23 15.075 1.778 8.607 1.00 52.54 H new ATOM 0 HZ3 LYS A 23 14.138 2.999 7.889 1.00 52.54 H new ATOM 328 N LEU A 24 15.107 -3.009 3.188 1.00 34.24 N ATOM 329 CA LEU A 24 16.254 -3.901 3.178 1.00 0.41 C ATOM 330 C LEU A 24 17.530 -3.085 3.394 1.00 1.43 C ATOM 331 O LEU A 24 17.909 -2.281 2.544 1.00 54.41 O ATOM 332 CB LEU A 24 16.270 -4.739 1.898 1.00 34.15 C ATOM 333 CG LEU A 24 17.496 -5.632 1.696 1.00 11.53 C ATOM 334 CD1 LEU A 24 18.606 -4.879 0.961 1.00 44.13 C ATOM 335 CD2 LEU A 24 17.980 -6.209 3.028 1.00 14.31 C ATOM 0 H LEU A 24 14.926 -2.537 2.302 1.00 34.24 H new ATOM 0 HA LEU A 24 16.188 -4.615 3.999 1.00 0.41 H new ATOM 0 HB2 LEU A 24 15.381 -5.369 1.889 1.00 34.15 H new ATOM 0 HB3 LEU A 24 16.192 -4.065 1.045 1.00 34.15 H new ATOM 0 HG LEU A 24 17.206 -6.474 1.067 1.00 11.53 H new ATOM 0 HD11 LEU A 24 19.466 -5.536 0.830 1.00 44.13 H new ATOM 0 HD12 LEU A 24 18.243 -4.558 -0.015 1.00 44.13 H new ATOM 0 HD13 LEU A 24 18.901 -4.006 1.544 1.00 44.13 H new ATOM 0 HD21 LEU A 24 18.852 -6.840 2.856 1.00 14.31 H new ATOM 0 HD22 LEU A 24 18.248 -5.395 3.701 1.00 14.31 H new ATOM 0 HD23 LEU A 24 17.185 -6.804 3.477 1.00 14.31 H new ATOM 347 N ILE A 25 18.158 -3.320 4.537 1.00 43.11 N ATOM 348 CA ILE A 25 19.384 -2.617 4.876 1.00 51.23 C ATOM 349 C ILE A 25 20.547 -3.611 4.899 1.00 40.50 C ATOM 350 O ILE A 25 20.480 -4.634 5.578 1.00 3.00 O ATOM 351 CB ILE A 25 19.212 -1.840 6.183 1.00 63.13 C ATOM 352 CG1 ILE A 25 18.115 -0.782 6.052 1.00 73.32 C ATOM 353 CG2 ILE A 25 20.541 -1.234 6.639 1.00 41.03 C ATOM 354 CD1 ILE A 25 17.433 -0.530 7.398 1.00 34.50 C ATOM 0 H ILE A 25 17.841 -3.987 5.240 1.00 43.11 H new ATOM 0 HA ILE A 25 19.618 -1.870 4.117 1.00 51.23 H new ATOM 0 HB ILE A 25 18.894 -2.539 6.957 1.00 63.13 H new ATOM 0 HG12 ILE A 25 18.544 0.148 5.678 1.00 73.32 H new ATOM 0 HG13 ILE A 25 17.375 -1.108 5.321 1.00 73.32 H new ATOM 0 HG21 ILE A 25 20.391 -0.687 7.570 1.00 41.03 H new ATOM 0 HG22 ILE A 25 21.268 -2.030 6.799 1.00 41.03 H new ATOM 0 HG23 ILE A 25 20.912 -0.552 5.873 1.00 41.03 H new ATOM 0 HD11 ILE A 25 16.657 0.226 7.277 1.00 34.50 H new ATOM 0 HD12 ILE A 25 16.984 -1.456 7.757 1.00 34.50 H new ATOM 0 HD13 ILE A 25 18.171 -0.180 8.120 1.00 34.50 H new ATOM 366 N LEU A 26 21.586 -3.274 4.149 1.00 61.11 N ATOM 367 CA LEU A 26 22.762 -4.124 4.075 1.00 62.11 C ATOM 368 C LEU A 26 23.953 -3.395 4.699 1.00 4.34 C ATOM 369 O LEU A 26 24.443 -2.411 4.146 1.00 12.04 O ATOM 370 CB LEU A 26 23.006 -4.578 2.634 1.00 15.02 C ATOM 371 CG LEU A 26 21.756 -4.911 1.816 1.00 23.50 C ATOM 372 CD1 LEU A 26 21.274 -3.691 1.030 1.00 70.03 C ATOM 373 CD2 LEU A 26 22.002 -6.118 0.908 1.00 73.11 C ATOM 0 H LEU A 26 21.638 -2.424 3.587 1.00 61.11 H new ATOM 0 HA LEU A 26 22.608 -5.037 4.651 1.00 62.11 H new ATOM 0 HB2 LEU A 26 23.558 -3.794 2.115 1.00 15.02 H new ATOM 0 HB3 LEU A 26 23.648 -5.459 2.655 1.00 15.02 H new ATOM 0 HG LEU A 26 20.958 -5.184 2.506 1.00 23.50 H new ATOM 0 HD11 LEU A 26 20.385 -3.955 0.458 1.00 70.03 H new ATOM 0 HD12 LEU A 26 21.034 -2.884 1.722 1.00 70.03 H new ATOM 0 HD13 LEU A 26 22.060 -3.363 0.349 1.00 70.03 H new ATOM 0 HD21 LEU A 26 21.099 -6.334 0.337 1.00 73.11 H new ATOM 0 HD22 LEU A 26 22.820 -5.897 0.222 1.00 73.11 H new ATOM 0 HD23 LEU A 26 22.263 -6.984 1.517 1.00 73.11 H new ATOM 385 N ASN A 27 24.386 -3.905 5.843 1.00 35.01 N ATOM 386 CA ASN A 27 25.510 -3.314 6.549 1.00 61.43 C ATOM 387 C ASN A 27 26.750 -4.186 6.343 1.00 65.12 C ATOM 388 O ASN A 27 26.907 -5.215 6.999 1.00 54.22 O ATOM 389 CB ASN A 27 25.235 -3.231 8.051 1.00 21.04 C ATOM 390 CG ASN A 27 24.763 -1.830 8.446 1.00 44.14 C ATOM 391 OD1 ASN A 27 25.363 -0.825 8.100 1.00 13.11 O ATOM 392 ND2 ASN A 27 23.659 -1.819 9.186 1.00 31.54 N ATOM 0 H ASN A 27 23.978 -4.721 6.299 1.00 35.01 H new ATOM 0 HA ASN A 27 25.666 -2.310 6.155 1.00 61.43 H new ATOM 0 HB2 ASN A 27 24.478 -3.965 8.327 1.00 21.04 H new ATOM 0 HB3 ASN A 27 26.140 -3.483 8.604 1.00 21.04 H new ATOM 0 HD21 ASN A 27 23.264 -0.932 9.500 1.00 31.54 H new ATOM 0 HD22 ASN A 27 23.207 -2.697 9.440 1.00 31.54 H new ATOM 399 N GLY A 28 27.601 -3.743 5.429 1.00 40.42 N ATOM 400 CA GLY A 28 28.823 -4.469 5.128 1.00 32.52 C ATOM 401 C GLY A 28 30.020 -3.520 5.047 1.00 31.04 C ATOM 402 O GLY A 28 29.854 -2.326 4.804 1.00 2.33 O ATOM 0 H GLY A 28 27.468 -2.889 4.887 1.00 40.42 H new ATOM 0 HA2 GLY A 28 29.002 -5.221 5.897 1.00 32.52 H new ATOM 0 HA3 GLY A 28 28.711 -5.000 4.183 1.00 32.52 H new ATOM 406 N LYS A 29 31.199 -4.087 5.256 1.00 2.20 N ATOM 407 CA LYS A 29 32.424 -3.306 5.210 1.00 54.21 C ATOM 408 C LYS A 29 32.715 -2.908 3.762 1.00 64.14 C ATOM 409 O LYS A 29 33.202 -1.809 3.502 1.00 52.50 O ATOM 410 CB LYS A 29 33.569 -4.065 5.882 1.00 62.32 C ATOM 411 CG LYS A 29 33.122 -4.661 7.218 1.00 25.33 C ATOM 412 CD LYS A 29 32.530 -3.584 8.129 1.00 44.53 C ATOM 413 CE LYS A 29 31.010 -3.511 7.976 1.00 72.51 C ATOM 414 NZ LYS A 29 30.375 -3.168 9.268 1.00 72.11 N ATOM 0 H LYS A 29 31.332 -5.078 5.458 1.00 2.20 H new ATOM 0 HA LYS A 29 32.309 -2.383 5.778 1.00 54.21 H new ATOM 0 HB2 LYS A 29 33.919 -4.860 5.224 1.00 62.32 H new ATOM 0 HB3 LYS A 29 34.411 -3.392 6.044 1.00 62.32 H new ATOM 0 HG2 LYS A 29 32.381 -5.441 7.042 1.00 25.33 H new ATOM 0 HG3 LYS A 29 33.971 -5.133 7.712 1.00 25.33 H new ATOM 0 HD2 LYS A 29 32.785 -3.800 9.167 1.00 44.53 H new ATOM 0 HD3 LYS A 29 32.970 -2.616 7.888 1.00 44.53 H new ATOM 0 HE2 LYS A 29 30.750 -2.764 7.226 1.00 72.51 H new ATOM 0 HE3 LYS A 29 30.628 -4.467 7.619 1.00 72.51 H new ATOM 0 HZ1 LYS A 29 29.343 -3.123 9.146 1.00 72.11 H new ATOM 0 HZ2 LYS A 29 30.609 -3.895 9.974 1.00 72.11 H new ATOM 0 HZ3 LYS A 29 30.726 -2.245 9.593 1.00 72.11 H new ATOM 427 N THR A 30 32.406 -3.824 2.856 1.00 31.41 N ATOM 428 CA THR A 30 32.629 -3.583 1.441 1.00 71.24 C ATOM 429 C THR A 30 31.314 -3.220 0.748 1.00 71.31 C ATOM 430 O THR A 30 31.317 -2.573 -0.298 1.00 61.53 O ATOM 431 CB THR A 30 33.305 -4.822 0.851 1.00 72.45 C ATOM 432 OG1 THR A 30 33.755 -4.395 -0.432 1.00 51.30 O ATOM 433 CG2 THR A 30 32.308 -5.942 0.542 1.00 44.34 C ATOM 0 H THR A 30 32.003 -4.735 3.075 1.00 31.41 H new ATOM 0 HA THR A 30 33.289 -2.730 1.284 1.00 71.24 H new ATOM 0 HB THR A 30 34.060 -5.189 1.547 1.00 72.45 H new ATOM 0 HG1 THR A 30 34.207 -5.138 -0.884 1.00 51.30 H new ATOM 0 HG21 THR A 30 32.840 -6.798 0.126 1.00 44.34 H new ATOM 0 HG22 THR A 30 31.801 -6.241 1.459 1.00 44.34 H new ATOM 0 HG23 THR A 30 31.573 -5.586 -0.179 1.00 44.34 H new ATOM 441 N LEU A 31 30.221 -3.653 1.360 1.00 41.34 N ATOM 442 CA LEU A 31 28.902 -3.382 0.815 1.00 54.42 C ATOM 443 C LEU A 31 28.003 -2.824 1.920 1.00 33.45 C ATOM 444 O LEU A 31 27.551 -3.566 2.791 1.00 22.53 O ATOM 445 CB LEU A 31 28.336 -4.629 0.133 1.00 25.53 C ATOM 446 CG LEU A 31 27.627 -4.401 -1.203 1.00 15.24 C ATOM 447 CD1 LEU A 31 26.419 -3.478 -1.031 1.00 13.34 C ATOM 448 CD2 LEU A 31 28.602 -3.878 -2.259 1.00 53.23 C ATOM 0 H LEU A 31 30.222 -4.189 2.228 1.00 41.34 H new ATOM 0 HA LEU A 31 28.961 -2.621 0.037 1.00 54.42 H new ATOM 0 HB2 LEU A 31 29.153 -5.333 -0.028 1.00 25.53 H new ATOM 0 HB3 LEU A 31 27.634 -5.106 0.817 1.00 25.53 H new ATOM 0 HG LEU A 31 27.252 -5.360 -1.559 1.00 15.24 H new ATOM 0 HD11 LEU A 31 25.932 -3.332 -1.995 1.00 13.34 H new ATOM 0 HD12 LEU A 31 25.713 -3.929 -0.333 1.00 13.34 H new ATOM 0 HD13 LEU A 31 26.749 -2.515 -0.642 1.00 13.34 H new ATOM 0 HD21 LEU A 31 28.072 -3.724 -3.199 1.00 53.23 H new ATOM 0 HD22 LEU A 31 29.028 -2.932 -1.924 1.00 53.23 H new ATOM 0 HD23 LEU A 31 29.401 -4.604 -2.407 1.00 53.23 H new ATOM 460 N LYS A 32 27.770 -1.522 1.850 1.00 72.04 N ATOM 461 CA LYS A 32 26.933 -0.857 2.834 1.00 40.33 C ATOM 462 C LYS A 32 25.945 0.066 2.117 1.00 61.33 C ATOM 463 O LYS A 32 26.350 0.941 1.353 1.00 33.10 O ATOM 464 CB LYS A 32 27.796 -0.143 3.876 1.00 41.52 C ATOM 465 CG LYS A 32 29.107 0.349 3.258 1.00 21.44 C ATOM 466 CD LYS A 32 30.039 0.918 4.330 1.00 34.35 C ATOM 467 CE LYS A 32 30.063 2.447 4.280 1.00 63.42 C ATOM 468 NZ LYS A 32 30.822 2.991 5.428 1.00 42.00 N ATOM 0 H LYS A 32 28.146 -0.909 1.127 1.00 72.04 H new ATOM 0 HA LYS A 32 26.343 -1.587 3.388 1.00 40.33 H new ATOM 0 HB2 LYS A 32 27.246 0.701 4.292 1.00 41.52 H new ATOM 0 HB3 LYS A 32 28.011 -0.821 4.702 1.00 41.52 H new ATOM 0 HG2 LYS A 32 29.601 -0.474 2.741 1.00 21.44 H new ATOM 0 HG3 LYS A 32 28.896 1.114 2.511 1.00 21.44 H new ATOM 0 HD2 LYS A 32 29.710 0.588 5.315 1.00 34.35 H new ATOM 0 HD3 LYS A 32 31.047 0.530 4.184 1.00 34.35 H new ATOM 0 HE2 LYS A 32 30.517 2.779 3.346 1.00 63.42 H new ATOM 0 HE3 LYS A 32 29.044 2.833 4.294 1.00 63.42 H new ATOM 0 HZ1 LYS A 32 30.829 4.030 5.379 1.00 42.00 H new ATOM 0 HZ2 LYS A 32 30.372 2.689 6.316 1.00 42.00 H new ATOM 0 HZ3 LYS A 32 31.799 2.637 5.397 1.00 42.00 H new ATOM 481 N GLY A 33 24.668 -0.162 2.388 1.00 4.02 N ATOM 482 CA GLY A 33 23.620 0.638 1.779 1.00 75.34 C ATOM 483 C GLY A 33 22.241 0.218 2.293 1.00 70.23 C ATOM 484 O GLY A 33 22.134 -0.667 3.140 1.00 73.41 O ATOM 0 H GLY A 33 24.336 -0.889 3.021 1.00 4.02 H new ATOM 0 HA2 GLY A 33 23.788 1.692 1.999 1.00 75.34 H new ATOM 0 HA3 GLY A 33 23.657 0.528 0.695 1.00 75.34 H new ATOM 488 N GLU A 34 21.221 0.873 1.759 1.00 52.14 N ATOM 489 CA GLU A 34 19.854 0.579 2.153 1.00 75.22 C ATOM 490 C GLU A 34 18.946 0.525 0.922 1.00 62.30 C ATOM 491 O GLU A 34 19.354 0.912 -0.172 1.00 23.21 O ATOM 492 CB GLU A 34 19.342 1.605 3.166 1.00 22.31 C ATOM 493 CG GLU A 34 18.870 2.880 2.465 1.00 60.13 C ATOM 494 CD GLU A 34 19.086 4.106 3.354 1.00 52.55 C ATOM 495 OE1 GLU A 34 18.153 4.898 3.555 1.00 52.01 O ATOM 496 OE2 GLU A 34 20.273 4.222 3.844 1.00 43.30 O ATOM 0 H GLU A 34 21.314 1.607 1.056 1.00 52.14 H new ATOM 0 HA GLU A 34 19.839 -0.398 2.635 1.00 75.22 H new ATOM 0 HB2 GLU A 34 18.521 1.176 3.740 1.00 22.31 H new ATOM 0 HB3 GLU A 34 20.134 1.847 3.875 1.00 22.31 H new ATOM 0 HG2 GLU A 34 19.412 3.006 1.528 1.00 60.13 H new ATOM 0 HG3 GLU A 34 17.813 2.791 2.213 1.00 60.13 H new ATOM 504 N THR A 35 17.732 0.041 1.142 1.00 44.31 N ATOM 505 CA THR A 35 16.764 -0.069 0.064 1.00 10.52 C ATOM 506 C THR A 35 15.426 -0.583 0.600 1.00 43.23 C ATOM 507 O THR A 35 15.308 -0.901 1.782 1.00 71.11 O ATOM 508 CB THR A 35 17.366 -0.960 -1.024 1.00 2.04 C ATOM 509 OG1 THR A 35 16.251 -1.321 -1.833 1.00 73.33 O ATOM 510 CG2 THR A 35 17.874 -2.294 -0.473 1.00 5.12 C ATOM 0 H THR A 35 17.397 -0.279 2.051 1.00 44.31 H new ATOM 0 HA THR A 35 16.550 0.905 -0.376 1.00 10.52 H new ATOM 0 HB THR A 35 18.186 -0.433 -1.512 1.00 2.04 H new ATOM 0 HG1 THR A 35 16.068 -0.605 -2.477 1.00 73.33 H new ATOM 0 HG21 THR A 35 18.291 -2.888 -1.286 1.00 5.12 H new ATOM 0 HG22 THR A 35 18.646 -2.109 0.274 1.00 5.12 H new ATOM 0 HG23 THR A 35 17.047 -2.837 -0.014 1.00 5.12 H new ATOM 518 N THR A 36 14.452 -0.648 -0.296 1.00 65.22 N ATOM 519 CA THR A 36 13.128 -1.118 0.071 1.00 33.53 C ATOM 520 C THR A 36 12.501 -1.903 -1.083 1.00 21.31 C ATOM 521 O THR A 36 12.871 -1.713 -2.241 1.00 32.05 O ATOM 522 CB THR A 36 12.299 0.093 0.503 1.00 71.10 C ATOM 523 OG1 THR A 36 11.929 0.715 -0.724 1.00 52.42 O ATOM 524 CG2 THR A 36 13.139 1.152 1.219 1.00 1.14 C ATOM 0 H THR A 36 14.554 -0.383 -1.276 1.00 65.22 H new ATOM 0 HA THR A 36 13.174 -1.814 0.909 1.00 33.53 H new ATOM 0 HB THR A 36 11.492 -0.234 1.159 1.00 71.10 H new ATOM 0 HG1 THR A 36 11.387 1.510 -0.537 1.00 52.42 H new ATOM 0 HG21 THR A 36 12.502 1.990 1.504 1.00 1.14 H new ATOM 0 HG22 THR A 36 13.588 0.717 2.112 1.00 1.14 H new ATOM 0 HG23 THR A 36 13.926 1.505 0.552 1.00 1.14 H new ATOM 532 N THR A 37 11.563 -2.769 -0.727 1.00 43.03 N ATOM 533 CA THR A 37 10.882 -3.583 -1.719 1.00 32.50 C ATOM 534 C THR A 37 9.431 -3.830 -1.301 1.00 52.30 C ATOM 535 O THR A 37 9.116 -3.834 -0.112 1.00 53.40 O ATOM 536 CB THR A 37 11.687 -4.871 -1.907 1.00 53.14 C ATOM 537 OG1 THR A 37 11.025 -5.541 -2.977 1.00 14.04 O ATOM 538 CG2 THR A 37 11.545 -5.829 -0.723 1.00 10.23 C ATOM 0 H THR A 37 11.259 -2.924 0.234 1.00 43.03 H new ATOM 0 HA THR A 37 10.828 -3.072 -2.680 1.00 32.50 H new ATOM 0 HB THR A 37 12.739 -4.624 -2.049 1.00 53.14 H new ATOM 0 HG1 THR A 37 11.259 -6.492 -2.962 1.00 14.04 H new ATOM 0 HG21 THR A 37 12.136 -6.726 -0.908 1.00 10.23 H new ATOM 0 HG22 THR A 37 11.901 -5.341 0.185 1.00 10.23 H new ATOM 0 HG23 THR A 37 10.497 -6.104 -0.601 1.00 10.23 H new ATOM 546 N CYS A 38 8.586 -4.029 -2.302 1.00 21.21 N ATOM 547 CA CYS A 38 7.176 -4.276 -2.053 1.00 52.52 C ATOM 548 C CYS A 38 6.867 -5.725 -2.432 1.00 24.40 C ATOM 549 O CYS A 38 7.278 -6.194 -3.492 1.00 71.53 O ATOM 550 CB CYS A 38 6.287 -3.287 -2.810 1.00 12.52 C ATOM 551 SG CYS A 38 6.008 -1.694 -1.952 1.00 72.22 S ATOM 0 H CYS A 38 8.851 -4.024 -3.287 1.00 21.21 H new ATOM 0 HA CYS A 38 6.959 -4.124 -0.996 1.00 52.52 H new ATOM 0 HB2 CYS A 38 6.737 -3.086 -3.782 1.00 12.52 H new ATOM 0 HB3 CYS A 38 5.321 -3.757 -2.997 1.00 12.52 H new ATOM 0 HG CYS A 38 5.102 -1.849 -1.033 1.00 72.22 H new ATOM 556 N ALA A 39 6.147 -6.395 -1.544 1.00 52.13 N ATOM 557 CA ALA A 39 5.779 -7.782 -1.772 1.00 54.12 C ATOM 558 C ALA A 39 4.412 -8.053 -1.140 1.00 1.14 C ATOM 559 O ALA A 39 4.102 -7.525 -0.073 1.00 25.25 O ATOM 560 CB ALA A 39 6.871 -8.698 -1.216 1.00 75.12 C ATOM 0 H ALA A 39 5.809 -6.003 -0.665 1.00 52.13 H new ATOM 0 HA ALA A 39 5.695 -7.986 -2.839 1.00 54.12 H new ATOM 0 HB1 ALA A 39 6.595 -9.739 -1.387 1.00 75.12 H new ATOM 0 HB2 ALA A 39 7.815 -8.486 -1.718 1.00 75.12 H new ATOM 0 HB3 ALA A 39 6.982 -8.523 -0.146 1.00 75.12 H new ATOM 566 N VAL A 40 3.631 -8.875 -1.825 1.00 21.24 N ATOM 567 CA VAL A 40 2.305 -9.223 -1.343 1.00 51.41 C ATOM 568 C VAL A 40 2.433 -10.070 -0.076 1.00 21.13 C ATOM 569 O VAL A 40 1.546 -10.057 0.776 1.00 32.51 O ATOM 570 CB VAL A 40 1.512 -9.920 -2.451 1.00 0.54 C ATOM 571 CG1 VAL A 40 0.991 -8.907 -3.472 1.00 43.14 C ATOM 572 CG2 VAL A 40 2.354 -11.001 -3.130 1.00 61.04 C ATOM 0 H VAL A 40 3.891 -9.310 -2.710 1.00 21.24 H new ATOM 0 HA VAL A 40 1.747 -8.325 -1.078 1.00 51.41 H new ATOM 0 HB VAL A 40 0.651 -10.406 -1.993 1.00 0.54 H new ATOM 0 HG11 VAL A 40 0.431 -9.428 -4.249 1.00 43.14 H new ATOM 0 HG12 VAL A 40 0.339 -8.190 -2.973 1.00 43.14 H new ATOM 0 HG13 VAL A 40 1.832 -8.380 -3.923 1.00 43.14 H new ATOM 0 HG21 VAL A 40 1.767 -11.481 -3.913 1.00 61.04 H new ATOM 0 HG22 VAL A 40 3.243 -10.548 -3.569 1.00 61.04 H new ATOM 0 HG23 VAL A 40 2.653 -11.746 -2.393 1.00 61.04 H new ATOM 582 N ASP A 41 3.545 -10.786 0.009 1.00 75.20 N ATOM 583 CA ASP A 41 3.800 -11.638 1.158 1.00 23.01 C ATOM 584 C ASP A 41 5.256 -11.470 1.598 1.00 61.21 C ATOM 585 O ASP A 41 6.146 -11.312 0.764 1.00 50.23 O ATOM 586 CB ASP A 41 3.578 -13.112 0.812 1.00 51.53 C ATOM 587 CG ASP A 41 2.144 -13.475 0.422 1.00 13.01 C ATOM 588 OD1 ASP A 41 1.625 -13.016 -0.606 1.00 43.44 O ATOM 589 OD2 ASP A 41 1.544 -14.277 1.236 1.00 43.41 O ATOM 0 H ASP A 41 4.279 -10.793 -0.699 1.00 75.20 H new ATOM 0 HA ASP A 41 3.113 -11.347 1.952 1.00 23.01 H new ATOM 0 HB2 ASP A 41 4.241 -13.381 -0.010 1.00 51.53 H new ATOM 0 HB3 ASP A 41 3.870 -13.719 1.669 1.00 51.53 H new ATOM 595 N ALA A 42 5.454 -11.511 2.907 1.00 15.34 N ATOM 596 CA ALA A 42 6.786 -11.365 3.468 1.00 21.11 C ATOM 597 C ALA A 42 7.702 -12.442 2.883 1.00 74.24 C ATOM 598 O ALA A 42 8.923 -12.301 2.902 1.00 63.01 O ATOM 599 CB ALA A 42 6.708 -11.433 4.995 1.00 60.14 C ATOM 0 H ALA A 42 4.714 -11.643 3.596 1.00 15.34 H new ATOM 0 HA ALA A 42 7.208 -10.395 3.206 1.00 21.11 H new ATOM 0 HB1 ALA A 42 7.708 -11.323 5.416 1.00 60.14 H new ATOM 0 HB2 ALA A 42 6.069 -10.630 5.363 1.00 60.14 H new ATOM 0 HB3 ALA A 42 6.291 -12.394 5.296 1.00 60.14 H new ATOM 605 N ALA A 43 7.076 -13.494 2.376 1.00 74.12 N ATOM 606 CA ALA A 43 7.819 -14.595 1.786 1.00 54.42 C ATOM 607 C ALA A 43 8.504 -14.113 0.505 1.00 31.14 C ATOM 608 O ALA A 43 9.682 -14.391 0.285 1.00 32.02 O ATOM 609 CB ALA A 43 6.874 -15.772 1.534 1.00 2.33 C ATOM 0 H ALA A 43 6.062 -13.607 2.362 1.00 74.12 H new ATOM 0 HA ALA A 43 8.597 -14.941 2.466 1.00 54.42 H new ATOM 0 HB1 ALA A 43 7.431 -16.598 1.091 1.00 2.33 H new ATOM 0 HB2 ALA A 43 6.435 -16.095 2.478 1.00 2.33 H new ATOM 0 HB3 ALA A 43 6.081 -15.463 0.853 1.00 2.33 H new ATOM 615 N THR A 44 7.737 -13.399 -0.306 1.00 21.43 N ATOM 616 CA THR A 44 8.256 -12.877 -1.558 1.00 54.44 C ATOM 617 C THR A 44 9.348 -11.839 -1.292 1.00 13.12 C ATOM 618 O THR A 44 10.384 -11.839 -1.955 1.00 12.43 O ATOM 619 CB THR A 44 7.078 -12.326 -2.364 1.00 54.44 C ATOM 620 OG1 THR A 44 6.456 -13.487 -2.908 1.00 15.30 O ATOM 621 CG2 THR A 44 7.528 -11.534 -3.594 1.00 24.31 C ATOM 0 H THR A 44 6.761 -13.170 -0.120 1.00 21.43 H new ATOM 0 HA THR A 44 8.733 -13.661 -2.146 1.00 54.44 H new ATOM 0 HB THR A 44 6.469 -11.688 -1.724 1.00 54.44 H new ATOM 0 HG1 THR A 44 5.680 -13.221 -3.445 1.00 15.30 H new ATOM 0 HG21 THR A 44 6.653 -11.166 -4.130 1.00 24.31 H new ATOM 0 HG22 THR A 44 8.142 -10.690 -3.279 1.00 24.31 H new ATOM 0 HG23 THR A 44 8.110 -12.181 -4.251 1.00 24.31 H new ATOM 629 N ALA A 45 9.078 -10.980 -0.320 1.00 4.31 N ATOM 630 CA ALA A 45 10.025 -9.939 0.043 1.00 43.14 C ATOM 631 C ALA A 45 11.290 -10.583 0.615 1.00 13.33 C ATOM 632 O ALA A 45 12.397 -10.106 0.374 1.00 44.42 O ATOM 633 CB ALA A 45 9.367 -8.970 1.027 1.00 22.11 C ATOM 0 H ALA A 45 8.217 -10.983 0.227 1.00 4.31 H new ATOM 0 HA ALA A 45 10.317 -9.363 -0.835 1.00 43.14 H new ATOM 0 HB1 ALA A 45 10.077 -8.189 1.299 1.00 22.11 H new ATOM 0 HB2 ALA A 45 8.491 -8.518 0.562 1.00 22.11 H new ATOM 0 HB3 ALA A 45 9.063 -9.512 1.923 1.00 22.11 H new ATOM 639 N GLU A 46 11.082 -11.656 1.363 1.00 32.41 N ATOM 640 CA GLU A 46 12.191 -12.370 1.972 1.00 22.50 C ATOM 641 C GLU A 46 13.159 -12.866 0.895 1.00 12.42 C ATOM 642 O GLU A 46 14.373 -12.726 1.035 1.00 31.21 O ATOM 643 CB GLU A 46 11.689 -13.531 2.834 1.00 44.23 C ATOM 644 CG GLU A 46 12.832 -14.486 3.186 1.00 34.01 C ATOM 645 CD GLU A 46 12.348 -15.598 4.120 1.00 42.34 C ATOM 646 OE1 GLU A 46 12.196 -16.749 3.686 1.00 62.34 O ATOM 647 OE2 GLU A 46 12.129 -15.231 5.337 1.00 44.11 O ATOM 0 H GLU A 46 10.162 -12.049 1.561 1.00 32.41 H new ATOM 0 HA GLU A 46 12.726 -11.681 2.625 1.00 22.50 H new ATOM 0 HB2 GLU A 46 11.240 -13.142 3.748 1.00 44.23 H new ATOM 0 HB3 GLU A 46 10.908 -14.073 2.301 1.00 44.23 H new ATOM 0 HG2 GLU A 46 13.239 -14.923 2.274 1.00 34.01 H new ATOM 0 HG3 GLU A 46 13.640 -13.932 3.663 1.00 34.01 H new ATOM 655 N LYS A 47 12.585 -13.434 -0.155 1.00 53.41 N ATOM 656 CA LYS A 47 13.381 -13.950 -1.255 1.00 63.21 C ATOM 657 C LYS A 47 14.233 -12.820 -1.837 1.00 73.23 C ATOM 658 O LYS A 47 15.433 -12.988 -2.048 1.00 52.24 O ATOM 659 CB LYS A 47 12.486 -14.640 -2.287 1.00 25.23 C ATOM 660 CG LYS A 47 11.671 -15.763 -1.642 1.00 1.12 C ATOM 661 CD LYS A 47 10.445 -16.107 -2.490 1.00 63.12 C ATOM 662 CE LYS A 47 9.539 -17.103 -1.765 1.00 34.33 C ATOM 663 NZ LYS A 47 9.556 -16.853 -0.306 1.00 41.21 N ATOM 0 H LYS A 47 11.578 -13.548 -0.267 1.00 53.41 H new ATOM 0 HA LYS A 47 14.069 -14.718 -0.900 1.00 63.21 H new ATOM 0 HB2 LYS A 47 11.813 -13.910 -2.737 1.00 25.23 H new ATOM 0 HB3 LYS A 47 13.099 -15.046 -3.092 1.00 25.23 H new ATOM 0 HG2 LYS A 47 12.296 -16.648 -1.523 1.00 1.12 H new ATOM 0 HG3 LYS A 47 11.354 -15.460 -0.644 1.00 1.12 H new ATOM 0 HD2 LYS A 47 9.887 -15.198 -2.714 1.00 63.12 H new ATOM 0 HD3 LYS A 47 10.764 -16.528 -3.443 1.00 63.12 H new ATOM 0 HE2 LYS A 47 8.520 -17.018 -2.143 1.00 34.33 H new ATOM 0 HE3 LYS A 47 9.871 -18.121 -1.969 1.00 34.33 H new ATOM 0 HZ1 LYS A 47 8.675 -17.208 0.117 1.00 41.21 H new ATOM 0 HZ2 LYS A 47 10.367 -17.344 0.121 1.00 41.21 H new ATOM 0 HZ3 LYS A 47 9.638 -15.831 -0.130 1.00 41.21 H new ATOM 676 N VAL A 48 13.578 -11.694 -2.080 1.00 61.23 N ATOM 677 CA VAL A 48 14.260 -10.537 -2.634 1.00 10.41 C ATOM 678 C VAL A 48 15.373 -10.101 -1.679 1.00 12.52 C ATOM 679 O VAL A 48 16.488 -9.813 -2.110 1.00 24.13 O ATOM 680 CB VAL A 48 13.251 -9.424 -2.924 1.00 13.22 C ATOM 681 CG1 VAL A 48 13.962 -8.125 -3.309 1.00 61.33 C ATOM 682 CG2 VAL A 48 12.261 -9.850 -4.010 1.00 22.40 C ATOM 0 H VAL A 48 12.583 -11.559 -1.903 1.00 61.23 H new ATOM 0 HA VAL A 48 14.728 -10.789 -3.586 1.00 10.41 H new ATOM 0 HB VAL A 48 12.686 -9.238 -2.010 1.00 13.22 H new ATOM 0 HG11 VAL A 48 13.222 -7.351 -3.510 1.00 61.33 H new ATOM 0 HG12 VAL A 48 14.607 -7.807 -2.490 1.00 61.33 H new ATOM 0 HG13 VAL A 48 14.565 -8.291 -4.202 1.00 61.33 H new ATOM 0 HG21 VAL A 48 11.555 -9.041 -4.197 1.00 22.40 H new ATOM 0 HG22 VAL A 48 12.803 -10.077 -4.928 1.00 22.40 H new ATOM 0 HG23 VAL A 48 11.718 -10.736 -3.680 1.00 22.40 H new ATOM 692 N PHE A 49 15.030 -10.065 -0.399 1.00 45.03 N ATOM 693 CA PHE A 49 15.987 -9.669 0.620 1.00 13.25 C ATOM 694 C PHE A 49 17.187 -10.617 0.644 1.00 3.05 C ATOM 695 O PHE A 49 18.326 -10.179 0.802 1.00 12.12 O ATOM 696 CB PHE A 49 15.263 -9.747 1.966 1.00 3.13 C ATOM 697 CG PHE A 49 16.193 -9.664 3.178 1.00 3.24 C ATOM 698 CD1 PHE A 49 17.386 -9.018 3.077 1.00 22.43 C ATOM 699 CD2 PHE A 49 15.827 -10.236 4.357 1.00 43.51 C ATOM 700 CE1 PHE A 49 18.249 -8.941 4.202 1.00 23.42 C ATOM 701 CE2 PHE A 49 16.690 -10.159 5.482 1.00 45.42 C ATOM 702 CZ PHE A 49 17.883 -9.513 5.381 1.00 63.14 C ATOM 0 H PHE A 49 14.104 -10.303 -0.045 1.00 45.03 H new ATOM 0 HA PHE A 49 16.357 -8.665 0.414 1.00 13.25 H new ATOM 0 HB2 PHE A 49 14.535 -8.937 2.023 1.00 3.13 H new ATOM 0 HB3 PHE A 49 14.704 -10.682 2.013 1.00 3.13 H new ATOM 0 HD1 PHE A 49 17.677 -8.564 2.141 1.00 22.43 H new ATOM 0 HD2 PHE A 49 14.880 -10.749 4.437 1.00 43.51 H new ATOM 0 HE1 PHE A 49 19.196 -8.428 4.122 1.00 23.42 H new ATOM 0 HE2 PHE A 49 16.399 -10.613 6.418 1.00 45.42 H new ATOM 0 HZ PHE A 49 18.539 -9.454 6.237 1.00 63.14 H new ATOM 712 N LYS A 50 16.892 -11.899 0.486 1.00 53.34 N ATOM 713 CA LYS A 50 17.933 -12.913 0.487 1.00 13.51 C ATOM 714 C LYS A 50 18.738 -12.812 -0.810 1.00 2.02 C ATOM 715 O LYS A 50 19.943 -13.061 -0.817 1.00 52.34 O ATOM 716 CB LYS A 50 17.331 -14.298 0.732 1.00 50.25 C ATOM 717 CG LYS A 50 16.506 -14.318 2.020 1.00 51.31 C ATOM 718 CD LYS A 50 17.347 -14.804 3.202 1.00 13.10 C ATOM 719 CE LYS A 50 16.861 -14.182 4.513 1.00 40.02 C ATOM 720 NZ LYS A 50 17.135 -15.089 5.650 1.00 62.13 N ATOM 0 H LYS A 50 15.946 -12.259 0.356 1.00 53.34 H new ATOM 0 HA LYS A 50 18.629 -12.744 1.308 1.00 13.51 H new ATOM 0 HB2 LYS A 50 16.701 -14.579 -0.112 1.00 50.25 H new ATOM 0 HB3 LYS A 50 18.128 -15.039 0.795 1.00 50.25 H new ATOM 0 HG2 LYS A 50 16.124 -13.318 2.227 1.00 51.31 H new ATOM 0 HG3 LYS A 50 15.641 -14.969 1.892 1.00 51.31 H new ATOM 0 HD2 LYS A 50 17.293 -15.891 3.269 1.00 13.10 H new ATOM 0 HD3 LYS A 50 18.393 -14.546 3.039 1.00 13.10 H new ATOM 0 HE2 LYS A 50 17.358 -13.226 4.675 1.00 40.02 H new ATOM 0 HE3 LYS A 50 15.792 -13.979 4.452 1.00 40.02 H new ATOM 0 HZ1 LYS A 50 16.799 -14.652 6.532 1.00 62.13 H new ATOM 0 HZ2 LYS A 50 16.641 -15.992 5.501 1.00 62.13 H new ATOM 0 HZ3 LYS A 50 18.158 -15.262 5.717 1.00 62.13 H new ATOM 733 N GLN A 51 18.041 -12.447 -1.875 1.00 54.04 N ATOM 734 CA GLN A 51 18.676 -12.311 -3.175 1.00 51.51 C ATOM 735 C GLN A 51 19.536 -11.046 -3.215 1.00 52.44 C ATOM 736 O GLN A 51 20.541 -10.996 -3.923 1.00 31.43 O ATOM 737 CB GLN A 51 17.635 -12.302 -4.296 1.00 52.31 C ATOM 738 CG GLN A 51 18.255 -12.742 -5.624 1.00 33.23 C ATOM 739 CD GLN A 51 18.171 -14.261 -5.790 1.00 44.25 C ATOM 740 OE1 GLN A 51 17.128 -14.873 -5.628 1.00 44.24 O ATOM 741 NE2 GLN A 51 19.325 -14.833 -6.123 1.00 3.33 N ATOM 0 H GLN A 51 17.042 -12.241 -1.865 1.00 54.04 H new ATOM 0 HA GLN A 51 19.324 -13.173 -3.333 1.00 51.51 H new ATOM 0 HB2 GLN A 51 16.811 -12.967 -4.037 1.00 52.31 H new ATOM 0 HB3 GLN A 51 17.216 -11.301 -4.400 1.00 52.31 H new ATOM 0 HG2 GLN A 51 17.739 -12.253 -6.450 1.00 33.23 H new ATOM 0 HG3 GLN A 51 19.297 -12.425 -5.666 1.00 33.23 H new ATOM 0 HE21 GLN A 51 20.161 -14.262 -6.243 1.00 3.33 H new ATOM 0 HE22 GLN A 51 19.373 -15.843 -6.258 1.00 3.33 H new ATOM 750 N TYR A 52 19.109 -10.054 -2.447 1.00 42.25 N ATOM 751 CA TYR A 52 19.828 -8.792 -2.387 1.00 34.24 C ATOM 752 C TYR A 52 21.154 -8.952 -1.640 1.00 53.22 C ATOM 753 O TYR A 52 22.206 -8.570 -2.149 1.00 43.30 O ATOM 754 CB TYR A 52 18.928 -7.832 -1.605 1.00 25.30 C ATOM 755 CG TYR A 52 18.896 -6.411 -2.170 1.00 4.23 C ATOM 756 CD1 TYR A 52 18.008 -6.087 -3.175 1.00 35.44 C ATOM 757 CD2 TYR A 52 19.756 -5.452 -1.674 1.00 44.22 C ATOM 758 CE1 TYR A 52 17.977 -4.749 -3.706 1.00 63.42 C ATOM 759 CE2 TYR A 52 19.726 -4.114 -2.206 1.00 3.23 C ATOM 760 CZ TYR A 52 18.838 -3.829 -3.196 1.00 2.35 C ATOM 761 OH TYR A 52 18.810 -2.565 -3.698 1.00 33.15 O ATOM 0 H TYR A 52 18.275 -10.098 -1.862 1.00 42.25 H new ATOM 0 HA TYR A 52 20.054 -8.430 -3.390 1.00 34.24 H new ATOM 0 HB2 TYR A 52 17.913 -8.230 -1.593 1.00 25.30 H new ATOM 0 HB3 TYR A 52 19.268 -7.793 -0.570 1.00 25.30 H new ATOM 0 HD1 TYR A 52 17.336 -6.838 -3.564 1.00 35.44 H new ATOM 0 HD2 TYR A 52 20.451 -5.705 -0.887 1.00 44.22 H new ATOM 0 HE1 TYR A 52 17.285 -4.482 -4.492 1.00 63.42 H new ATOM 0 HE2 TYR A 52 20.394 -3.354 -1.827 1.00 3.23 H new ATOM 0 HH TYR A 52 19.479 -2.016 -3.238 1.00 33.15 H new ATOM 771 N ALA A 53 21.059 -9.517 -0.446 1.00 3.04 N ATOM 772 CA ALA A 53 22.238 -9.732 0.376 1.00 45.21 C ATOM 773 C ALA A 53 23.221 -10.632 -0.376 1.00 4.41 C ATOM 774 O ALA A 53 24.434 -10.454 -0.274 1.00 2.33 O ATOM 775 CB ALA A 53 21.821 -10.323 1.724 1.00 51.21 C ATOM 0 H ALA A 53 20.184 -9.833 -0.028 1.00 3.04 H new ATOM 0 HA ALA A 53 22.743 -8.787 0.577 1.00 45.21 H new ATOM 0 HB1 ALA A 53 22.706 -10.484 2.340 1.00 51.21 H new ATOM 0 HB2 ALA A 53 21.147 -9.633 2.231 1.00 51.21 H new ATOM 0 HB3 ALA A 53 21.313 -11.274 1.563 1.00 51.21 H new ATOM 781 N ASN A 54 22.661 -11.578 -1.114 1.00 64.53 N ATOM 782 CA ASN A 54 23.473 -12.506 -1.883 1.00 25.51 C ATOM 783 C ASN A 54 24.171 -11.750 -3.015 1.00 4.10 C ATOM 784 O ASN A 54 25.329 -12.024 -3.329 1.00 34.52 O ATOM 785 CB ASN A 54 22.611 -13.604 -2.509 1.00 65.41 C ATOM 786 CG ASN A 54 23.397 -14.382 -3.567 1.00 23.34 C ATOM 787 OD1 ASN A 54 24.544 -14.754 -3.376 1.00 74.55 O ATOM 788 ND2 ASN A 54 22.719 -14.606 -4.688 1.00 61.44 N ATOM 0 H ASN A 54 21.655 -11.722 -1.196 1.00 64.53 H new ATOM 0 HA ASN A 54 24.199 -12.958 -1.207 1.00 25.51 H new ATOM 0 HB2 ASN A 54 22.265 -14.287 -1.733 1.00 65.41 H new ATOM 0 HB3 ASN A 54 21.724 -13.161 -2.962 1.00 65.41 H new ATOM 0 HD21 ASN A 54 23.156 -15.117 -5.455 1.00 61.44 H new ATOM 0 HD22 ASN A 54 21.762 -14.267 -4.782 1.00 61.44 H new ATOM 795 N ASP A 55 23.438 -10.812 -3.597 1.00 63.30 N ATOM 796 CA ASP A 55 23.972 -10.014 -4.687 1.00 64.25 C ATOM 797 C ASP A 55 25.134 -9.164 -4.170 1.00 2.22 C ATOM 798 O ASP A 55 25.979 -8.722 -4.947 1.00 24.31 O ATOM 799 CB ASP A 55 22.909 -9.069 -5.250 1.00 60.25 C ATOM 800 CG ASP A 55 23.367 -8.209 -6.430 1.00 25.11 C ATOM 801 OD1 ASP A 55 23.788 -8.729 -7.474 1.00 23.00 O ATOM 802 OD2 ASP A 55 23.278 -6.936 -6.243 1.00 44.21 O ATOM 0 H ASP A 55 22.479 -10.587 -3.334 1.00 63.30 H new ATOM 0 HA ASP A 55 24.302 -10.694 -5.472 1.00 64.25 H new ATOM 0 HB2 ASP A 55 22.048 -9.660 -5.563 1.00 60.25 H new ATOM 0 HB3 ASP A 55 22.570 -8.411 -4.450 1.00 60.25 H new ATOM 808 N ASN A 56 25.139 -8.960 -2.861 1.00 10.22 N ATOM 809 CA ASN A 56 26.183 -8.170 -2.230 1.00 61.22 C ATOM 810 C ASN A 56 27.308 -9.098 -1.766 1.00 13.23 C ATOM 811 O ASN A 56 28.428 -8.649 -1.525 1.00 74.43 O ATOM 812 CB ASN A 56 25.647 -7.426 -1.005 1.00 64.52 C ATOM 813 CG ASN A 56 24.632 -6.358 -1.414 1.00 14.35 C ATOM 814 OD1 ASN A 56 23.855 -6.711 -2.433 1.00 3.04 O flip ATOM 815 ND2 ASN A 56 24.558 -5.283 -0.841 1.00 75.42 N flip ATOM 0 H ASN A 56 24.436 -9.328 -2.220 1.00 10.22 H new ATOM 0 HA ASN A 56 26.547 -7.447 -2.960 1.00 61.22 H new ATOM 0 HB2 ASN A 56 25.180 -8.134 -0.321 1.00 64.52 H new ATOM 0 HB3 ASN A 56 26.473 -6.961 -0.467 1.00 64.52 H new ATOM 0 HD21 ASN A 56 25.186 -5.075 -0.064 1.00 75.42 H new ATOM 0 HD22 ASN A 56 23.869 -4.593 -1.139 1.00 75.42 H new ATOM 822 N GLY A 57 26.970 -10.374 -1.653 1.00 64.03 N ATOM 823 CA GLY A 57 27.938 -11.369 -1.222 1.00 12.31 C ATOM 824 C GLY A 57 28.323 -11.159 0.244 1.00 32.41 C ATOM 825 O GLY A 57 29.413 -11.545 0.664 1.00 13.34 O ATOM 0 H GLY A 57 26.040 -10.742 -1.852 1.00 64.03 H new ATOM 0 HA2 GLY A 57 27.521 -12.368 -1.353 1.00 12.31 H new ATOM 0 HA3 GLY A 57 28.829 -11.310 -1.848 1.00 12.31 H new ATOM 829 N VAL A 58 27.407 -10.549 0.982 1.00 71.51 N ATOM 830 CA VAL A 58 27.637 -10.284 2.392 1.00 71.30 C ATOM 831 C VAL A 58 26.680 -11.136 3.229 1.00 2.42 C ATOM 832 O VAL A 58 25.484 -11.191 2.947 1.00 63.41 O ATOM 833 CB VAL A 58 27.504 -8.786 2.671 1.00 11.21 C ATOM 834 CG1 VAL A 58 27.526 -8.504 4.175 1.00 75.32 C ATOM 835 CG2 VAL A 58 28.596 -7.995 1.949 1.00 4.42 C ATOM 0 H VAL A 58 26.504 -10.231 0.630 1.00 71.51 H new ATOM 0 HA VAL A 58 28.652 -10.564 2.673 1.00 71.30 H new ATOM 0 HB VAL A 58 26.540 -8.457 2.283 1.00 11.21 H new ATOM 0 HG11 VAL A 58 27.430 -7.432 4.346 1.00 75.32 H new ATOM 0 HG12 VAL A 58 26.697 -9.024 4.655 1.00 75.32 H new ATOM 0 HG13 VAL A 58 28.467 -8.856 4.597 1.00 75.32 H new ATOM 0 HG21 VAL A 58 28.479 -6.933 2.164 1.00 4.42 H new ATOM 0 HG22 VAL A 58 29.575 -8.329 2.293 1.00 4.42 H new ATOM 0 HG23 VAL A 58 28.514 -8.159 0.875 1.00 4.42 H new ATOM 845 N ASP A 59 27.243 -11.778 4.243 1.00 52.55 N ATOM 846 CA ASP A 59 26.455 -12.623 5.123 1.00 73.43 C ATOM 847 C ASP A 59 26.996 -12.512 6.549 1.00 2.04 C ATOM 848 O ASP A 59 28.208 -12.516 6.759 1.00 22.52 O ATOM 849 CB ASP A 59 26.540 -14.091 4.698 1.00 12.30 C ATOM 850 CG ASP A 59 25.293 -14.924 4.999 1.00 74.41 C ATOM 851 OD1 ASP A 59 25.162 -15.510 6.084 1.00 2.43 O ATOM 852 OD2 ASP A 59 24.419 -14.960 4.050 1.00 21.53 O ATOM 0 H ASP A 59 28.235 -11.729 4.474 1.00 52.55 H new ATOM 0 HA ASP A 59 25.418 -12.291 5.070 1.00 73.43 H new ATOM 0 HB2 ASP A 59 26.737 -14.133 3.627 1.00 12.30 H new ATOM 0 HB3 ASP A 59 27.394 -14.549 5.197 1.00 12.30 H new ATOM 858 N GLY A 60 26.071 -12.415 7.493 1.00 5.42 N ATOM 859 CA GLY A 60 26.441 -12.302 8.894 1.00 32.20 C ATOM 860 C GLY A 60 25.217 -12.462 9.798 1.00 11.43 C ATOM 861 O GLY A 60 24.596 -13.523 9.827 1.00 11.11 O ATOM 0 H GLY A 60 25.067 -12.412 7.315 1.00 5.42 H new ATOM 0 HA2 GLY A 60 27.182 -13.062 9.141 1.00 32.20 H new ATOM 0 HA3 GLY A 60 26.907 -11.333 9.074 1.00 32.20 H new ATOM 865 N GLU A 61 24.907 -11.391 10.515 1.00 72.04 N ATOM 866 CA GLU A 61 23.768 -11.399 11.417 1.00 3.34 C ATOM 867 C GLU A 61 22.548 -10.772 10.739 1.00 64.43 C ATOM 868 O GLU A 61 22.536 -9.575 10.458 1.00 2.13 O ATOM 869 CB GLU A 61 24.100 -10.676 12.724 1.00 10.43 C ATOM 870 CG GLU A 61 23.071 -11.003 13.808 1.00 2.04 C ATOM 871 CD GLU A 61 23.289 -10.136 15.050 1.00 30.45 C ATOM 872 OE1 GLU A 61 22.883 -8.965 15.068 1.00 43.22 O ATOM 873 OE2 GLU A 61 23.903 -10.721 16.022 1.00 22.35 O ATOM 0 H GLU A 61 25.425 -10.513 10.489 1.00 72.04 H new ATOM 0 HA GLU A 61 23.531 -12.434 11.662 1.00 3.34 H new ATOM 0 HB2 GLU A 61 25.095 -10.967 13.062 1.00 10.43 H new ATOM 0 HB3 GLU A 61 24.124 -9.600 12.553 1.00 10.43 H new ATOM 0 HG2 GLU A 61 22.065 -10.842 13.420 1.00 2.04 H new ATOM 0 HG3 GLU A 61 23.144 -12.056 14.078 1.00 2.04 H new ATOM 881 N TRP A 62 21.552 -11.611 10.494 1.00 12.42 N ATOM 882 CA TRP A 62 20.330 -11.154 9.854 1.00 61.13 C ATOM 883 C TRP A 62 19.311 -10.839 10.950 1.00 12.52 C ATOM 884 O TRP A 62 19.009 -11.689 11.786 1.00 63.31 O ATOM 885 CB TRP A 62 19.822 -12.185 8.844 1.00 21.20 C ATOM 886 CG TRP A 62 20.766 -12.416 7.662 1.00 32.21 C ATOM 887 CD1 TRP A 62 22.053 -12.787 7.694 1.00 21.24 C ATOM 888 CD2 TRP A 62 20.442 -12.276 6.263 1.00 53.32 C ATOM 889 NE1 TRP A 62 22.580 -12.896 6.424 1.00 43.54 N ATOM 890 CE2 TRP A 62 21.569 -12.575 5.525 1.00 1.34 C ATOM 891 CE3 TRP A 62 19.236 -11.908 5.641 1.00 75.33 C ATOM 892 CZ2 TRP A 62 21.602 -12.537 4.126 1.00 4.13 C ATOM 893 CZ3 TRP A 62 19.285 -11.875 4.242 1.00 63.21 C ATOM 894 CH2 TRP A 62 20.412 -12.173 3.485 1.00 23.30 C ATOM 0 H TRP A 62 21.566 -12.604 10.727 1.00 12.42 H new ATOM 0 HA TRP A 62 20.513 -10.247 9.278 1.00 61.13 H new ATOM 0 HB2 TRP A 62 19.661 -13.133 9.358 1.00 21.20 H new ATOM 0 HB3 TRP A 62 18.854 -11.860 8.464 1.00 21.20 H new ATOM 0 HD1 TRP A 62 22.608 -12.977 8.601 1.00 21.24 H new ATOM 0 HE1 TRP A 62 23.536 -13.163 6.188 1.00 43.54 H new ATOM 0 HE3 TRP A 62 18.342 -11.670 6.198 1.00 75.33 H new ATOM 0 HZ2 TRP A 62 22.497 -12.776 3.571 1.00 4.13 H new ATOM 0 HZ3 TRP A 62 18.384 -11.599 3.714 1.00 63.21 H new ATOM 0 HH2 TRP A 62 20.370 -12.124 2.407 1.00 23.30 H new ATOM 905 N THR A 63 18.808 -9.613 10.912 1.00 61.35 N ATOM 906 CA THR A 63 17.829 -9.175 11.892 1.00 51.15 C ATOM 907 C THR A 63 16.662 -8.468 11.200 1.00 52.13 C ATOM 908 O THR A 63 16.871 -7.613 10.340 1.00 14.14 O ATOM 909 CB THR A 63 18.548 -8.298 12.919 1.00 51.15 C ATOM 910 OG1 THR A 63 17.501 -7.813 13.755 1.00 51.14 O ATOM 911 CG2 THR A 63 19.143 -7.034 12.295 1.00 54.41 C ATOM 0 H THR A 63 19.060 -8.910 10.218 1.00 61.35 H new ATOM 0 HA THR A 63 17.389 -10.022 12.418 1.00 51.15 H new ATOM 0 HB THR A 63 19.340 -8.874 13.397 1.00 51.15 H new ATOM 0 HG1 THR A 63 17.879 -7.236 14.451 1.00 51.14 H new ATOM 0 HG21 THR A 63 19.642 -6.447 13.067 1.00 54.41 H new ATOM 0 HG22 THR A 63 19.865 -7.312 11.527 1.00 54.41 H new ATOM 0 HG23 THR A 63 18.347 -6.440 11.846 1.00 54.41 H new ATOM 919 N TYR A 64 15.458 -8.851 11.600 1.00 24.12 N ATOM 920 CA TYR A 64 14.258 -8.265 11.030 1.00 53.44 C ATOM 921 C TYR A 64 13.252 -7.901 12.124 1.00 75.45 C ATOM 922 O TYR A 64 13.030 -8.679 13.051 1.00 52.43 O ATOM 923 CB TYR A 64 13.648 -9.342 10.130 1.00 25.03 C ATOM 924 CG TYR A 64 12.132 -9.227 9.960 1.00 4.53 C ATOM 925 CD1 TYR A 64 11.608 -8.389 8.997 1.00 71.03 C ATOM 926 CD2 TYR A 64 11.289 -9.960 10.770 1.00 3.44 C ATOM 927 CE1 TYR A 64 10.181 -8.280 8.837 1.00 70.34 C ATOM 928 CE2 TYR A 64 9.862 -9.851 10.610 1.00 4.13 C ATOM 929 CZ TYR A 64 9.379 -9.017 9.651 1.00 14.43 C ATOM 930 OH TYR A 64 8.031 -8.914 9.500 1.00 10.11 O ATOM 0 H TYR A 64 15.289 -9.561 12.313 1.00 24.12 H new ATOM 0 HA TYR A 64 14.499 -7.352 10.485 1.00 53.44 H new ATOM 0 HB2 TYR A 64 14.118 -9.289 9.148 1.00 25.03 H new ATOM 0 HB3 TYR A 64 13.883 -10.323 10.544 1.00 25.03 H new ATOM 0 HD1 TYR A 64 12.268 -7.815 8.363 1.00 71.03 H new ATOM 0 HD2 TYR A 64 11.699 -10.615 11.524 1.00 3.44 H new ATOM 0 HE1 TYR A 64 9.757 -7.628 8.088 1.00 70.34 H new ATOM 0 HE2 TYR A 64 9.191 -10.419 11.237 1.00 4.13 H new ATOM 0 HH TYR A 64 7.587 -9.577 10.068 1.00 10.11 H new ATOM 940 N ASP A 65 12.669 -6.720 11.979 1.00 4.01 N ATOM 941 CA ASP A 65 11.692 -6.244 12.943 1.00 21.34 C ATOM 942 C ASP A 65 10.341 -6.067 12.248 1.00 12.51 C ATOM 943 O ASP A 65 10.163 -5.143 11.455 1.00 25.11 O ATOM 944 CB ASP A 65 12.106 -4.891 13.525 1.00 30.34 C ATOM 945 CG ASP A 65 12.886 -4.964 14.840 1.00 51.04 C ATOM 946 OD1 ASP A 65 12.366 -5.427 15.866 1.00 42.11 O ATOM 947 OD2 ASP A 65 14.094 -4.514 14.782 1.00 34.05 O ATOM 0 H ASP A 65 12.855 -6.079 11.208 1.00 4.01 H new ATOM 0 HA ASP A 65 11.627 -6.977 13.747 1.00 21.34 H new ATOM 0 HB2 ASP A 65 12.714 -4.366 12.788 1.00 30.34 H new ATOM 0 HB3 ASP A 65 11.210 -4.291 13.684 1.00 30.34 H new ATOM 953 N ASP A 66 9.423 -6.965 12.571 1.00 74.53 N ATOM 954 CA ASP A 66 8.093 -6.920 11.987 1.00 13.51 C ATOM 955 C ASP A 66 7.411 -5.609 12.386 1.00 75.33 C ATOM 956 O ASP A 66 6.462 -5.176 11.733 1.00 2.44 O ATOM 957 CB ASP A 66 7.229 -8.076 12.494 1.00 15.30 C ATOM 958 CG ASP A 66 5.930 -8.302 11.717 1.00 43.14 C ATOM 959 OD1 ASP A 66 5.679 -9.400 11.199 1.00 71.31 O ATOM 960 OD2 ASP A 66 5.148 -7.278 11.652 1.00 21.11 O ATOM 0 H ASP A 66 9.574 -7.729 13.230 1.00 74.53 H new ATOM 0 HA ASP A 66 8.197 -6.996 10.905 1.00 13.51 H new ATOM 0 HB2 ASP A 66 7.819 -8.992 12.461 1.00 15.30 H new ATOM 0 HB3 ASP A 66 6.982 -7.894 13.540 1.00 15.30 H new ATOM 966 N ALA A 67 7.920 -5.015 13.455 1.00 60.52 N ATOM 967 CA ALA A 67 7.372 -3.764 13.948 1.00 12.51 C ATOM 968 C ALA A 67 7.518 -2.688 12.870 1.00 2.31 C ATOM 969 O ALA A 67 6.745 -1.732 12.833 1.00 51.11 O ATOM 970 CB ALA A 67 8.071 -3.379 15.254 1.00 74.31 C ATOM 0 H ALA A 67 8.707 -5.378 13.994 1.00 60.52 H new ATOM 0 HA ALA A 67 6.309 -3.871 14.166 1.00 12.51 H new ATOM 0 HB1 ALA A 67 7.659 -2.440 15.624 1.00 74.31 H new ATOM 0 HB2 ALA A 67 7.913 -4.162 15.996 1.00 74.31 H new ATOM 0 HB3 ALA A 67 9.139 -3.261 15.074 1.00 74.31 H new ATOM 976 N THR A 68 8.515 -2.880 12.019 1.00 5.33 N ATOM 977 CA THR A 68 8.773 -1.938 10.943 1.00 2.23 C ATOM 978 C THR A 68 9.099 -2.684 9.648 1.00 4.11 C ATOM 979 O THR A 68 9.554 -2.080 8.677 1.00 32.44 O ATOM 980 CB THR A 68 9.888 -0.994 11.398 1.00 0.12 C ATOM 981 OG1 THR A 68 10.265 -0.304 10.210 1.00 52.41 O ATOM 982 CG2 THR A 68 11.157 -1.743 11.812 1.00 15.43 C ATOM 0 H THR A 68 9.154 -3.674 12.053 1.00 5.33 H new ATOM 0 HA THR A 68 7.890 -1.338 10.722 1.00 2.23 H new ATOM 0 HB THR A 68 9.534 -0.390 12.234 1.00 0.12 H new ATOM 0 HG1 THR A 68 9.710 -0.611 9.463 1.00 52.41 H new ATOM 0 HG21 THR A 68 11.916 -1.027 12.126 1.00 15.43 H new ATOM 0 HG22 THR A 68 10.929 -2.416 12.639 1.00 15.43 H new ATOM 0 HG23 THR A 68 11.531 -2.321 10.967 1.00 15.43 H new ATOM 990 N LYS A 69 8.855 -3.986 9.675 1.00 13.31 N ATOM 991 CA LYS A 69 9.117 -4.821 8.515 1.00 13.32 C ATOM 992 C LYS A 69 10.427 -4.380 7.860 1.00 2.42 C ATOM 993 O LYS A 69 10.474 -4.142 6.654 1.00 35.32 O ATOM 994 CB LYS A 69 7.919 -4.807 7.564 1.00 73.24 C ATOM 995 CG LYS A 69 7.052 -6.053 7.756 1.00 70.44 C ATOM 996 CD LYS A 69 6.167 -5.920 8.997 1.00 64.22 C ATOM 997 CE LYS A 69 4.815 -6.603 8.782 1.00 22.12 C ATOM 998 NZ LYS A 69 4.867 -8.011 9.237 1.00 4.50 N ATOM 0 H LYS A 69 8.479 -4.483 10.482 1.00 13.31 H new ATOM 0 HA LYS A 69 9.245 -5.861 8.815 1.00 13.32 H new ATOM 0 HB2 LYS A 69 7.321 -3.913 7.740 1.00 73.24 H new ATOM 0 HB3 LYS A 69 8.269 -4.759 6.533 1.00 73.24 H new ATOM 0 HG2 LYS A 69 6.428 -6.206 6.875 1.00 70.44 H new ATOM 0 HG3 LYS A 69 7.689 -6.932 7.852 1.00 70.44 H new ATOM 0 HD2 LYS A 69 6.670 -6.364 9.856 1.00 64.22 H new ATOM 0 HD3 LYS A 69 6.013 -4.866 9.227 1.00 64.22 H new ATOM 0 HE2 LYS A 69 4.039 -6.067 9.328 1.00 22.12 H new ATOM 0 HE3 LYS A 69 4.546 -6.565 7.726 1.00 22.12 H new ATOM 0 HZ1 LYS A 69 4.301 -8.604 8.597 1.00 4.50 H new ATOM 0 HZ2 LYS A 69 5.853 -8.341 9.233 1.00 4.50 H new ATOM 0 HZ3 LYS A 69 4.483 -8.079 10.201 1.00 4.50 H new ATOM 1011 N THR A 70 11.460 -4.283 8.684 1.00 22.12 N ATOM 1012 CA THR A 70 12.768 -3.875 8.200 1.00 0.32 C ATOM 1013 C THR A 70 13.817 -4.937 8.536 1.00 15.02 C ATOM 1014 O THR A 70 13.821 -5.484 9.638 1.00 12.52 O ATOM 1015 CB THR A 70 13.084 -2.500 8.794 1.00 73.34 C ATOM 1016 OG1 THR A 70 12.222 -1.611 8.088 1.00 65.34 O ATOM 1017 CG2 THR A 70 14.491 -2.018 8.437 1.00 40.43 C ATOM 0 H THR A 70 11.418 -4.480 9.684 1.00 22.12 H new ATOM 0 HA THR A 70 12.777 -3.787 7.114 1.00 0.32 H new ATOM 0 HB THR A 70 12.978 -2.539 9.878 1.00 73.34 H new ATOM 0 HG1 THR A 70 11.292 -1.786 8.343 1.00 65.34 H new ATOM 0 HG21 THR A 70 14.664 -1.039 8.883 1.00 40.43 H new ATOM 0 HG22 THR A 70 15.226 -2.726 8.820 1.00 40.43 H new ATOM 0 HG23 THR A 70 14.587 -1.946 7.354 1.00 40.43 H new ATOM 1025 N PHE A 71 14.680 -5.198 7.566 1.00 43.40 N ATOM 1026 CA PHE A 71 15.731 -6.185 7.745 1.00 44.31 C ATOM 1027 C PHE A 71 17.114 -5.542 7.621 1.00 3.21 C ATOM 1028 O PHE A 71 17.324 -4.669 6.780 1.00 60.32 O ATOM 1029 CB PHE A 71 15.564 -7.223 6.634 1.00 34.20 C ATOM 1030 CG PHE A 71 14.149 -7.797 6.527 1.00 22.02 C ATOM 1031 CD1 PHE A 71 13.120 -6.999 6.135 1.00 34.43 C ATOM 1032 CD2 PHE A 71 13.922 -9.104 6.824 1.00 34.52 C ATOM 1033 CE1 PHE A 71 11.807 -7.532 6.036 1.00 1.12 C ATOM 1034 CE2 PHE A 71 12.609 -9.637 6.725 1.00 10.01 C ATOM 1035 CZ PHE A 71 11.579 -8.839 6.333 1.00 24.42 C ATOM 0 H PHE A 71 14.673 -4.743 6.653 1.00 43.40 H new ATOM 0 HA PHE A 71 15.655 -6.633 8.736 1.00 44.31 H new ATOM 0 HB2 PHE A 71 15.833 -6.767 5.681 1.00 34.20 H new ATOM 0 HB3 PHE A 71 16.265 -8.040 6.806 1.00 34.20 H new ATOM 0 HD1 PHE A 71 13.301 -5.961 5.899 1.00 34.43 H new ATOM 0 HD2 PHE A 71 14.740 -9.737 7.135 1.00 34.52 H new ATOM 0 HE1 PHE A 71 10.989 -6.899 5.725 1.00 1.12 H new ATOM 0 HE2 PHE A 71 12.428 -10.675 6.961 1.00 10.01 H new ATOM 0 HZ PHE A 71 10.581 -9.244 6.258 1.00 24.42 H new ATOM 1045 N THR A 72 18.022 -5.998 8.472 1.00 40.23 N ATOM 1046 CA THR A 72 19.379 -5.478 8.468 1.00 11.00 C ATOM 1047 C THR A 72 20.390 -6.626 8.493 1.00 72.14 C ATOM 1048 O THR A 72 20.245 -7.569 9.269 1.00 1.11 O ATOM 1049 CB THR A 72 19.521 -4.518 9.651 1.00 74.10 C ATOM 1050 OG1 THR A 72 18.268 -3.840 9.700 1.00 22.41 O ATOM 1051 CG2 THR A 72 20.536 -3.405 9.384 1.00 62.32 C ATOM 0 H THR A 72 17.844 -6.722 9.169 1.00 40.23 H new ATOM 0 HA THR A 72 19.587 -4.923 7.553 1.00 11.00 H new ATOM 0 HB THR A 72 19.820 -5.077 10.538 1.00 74.10 H new ATOM 0 HG1 THR A 72 18.272 -3.198 10.441 1.00 22.41 H new ATOM 0 HG21 THR A 72 20.598 -2.752 10.255 1.00 62.32 H new ATOM 0 HG22 THR A 72 21.515 -3.844 9.189 1.00 62.32 H new ATOM 0 HG23 THR A 72 20.220 -2.824 8.517 1.00 62.32 H new ATOM 1059 N VAL A 73 21.391 -6.509 7.633 1.00 2.30 N ATOM 1060 CA VAL A 73 22.426 -7.525 7.546 1.00 30.13 C ATOM 1061 C VAL A 73 23.746 -6.948 8.060 1.00 44.40 C ATOM 1062 O VAL A 73 24.263 -5.980 7.503 1.00 23.23 O ATOM 1063 CB VAL A 73 22.522 -8.053 6.114 1.00 72.54 C ATOM 1064 CG1 VAL A 73 23.834 -7.622 5.457 1.00 65.12 C ATOM 1065 CG2 VAL A 73 22.365 -9.575 6.079 1.00 61.03 C ATOM 0 H VAL A 73 21.507 -5.726 6.990 1.00 2.30 H new ATOM 0 HA VAL A 73 22.177 -8.378 8.177 1.00 30.13 H new ATOM 0 HB VAL A 73 21.703 -7.618 5.541 1.00 72.54 H new ATOM 0 HG11 VAL A 73 23.876 -8.011 4.440 1.00 65.12 H new ATOM 0 HG12 VAL A 73 23.888 -6.534 5.432 1.00 65.12 H new ATOM 0 HG13 VAL A 73 24.674 -8.014 6.030 1.00 65.12 H new ATOM 0 HG21 VAL A 73 22.437 -9.925 5.049 1.00 61.03 H new ATOM 0 HG22 VAL A 73 23.153 -10.036 6.675 1.00 61.03 H new ATOM 0 HG23 VAL A 73 21.393 -9.850 6.488 1.00 61.03 H new ATOM 1075 N THR A 74 24.254 -7.565 9.116 1.00 24.33 N ATOM 1076 CA THR A 74 25.505 -7.125 9.711 1.00 13.33 C ATOM 1077 C THR A 74 26.618 -8.132 9.419 1.00 24.34 C ATOM 1078 O THR A 74 26.522 -9.298 9.801 1.00 53.33 O ATOM 1079 CB THR A 74 25.264 -6.901 11.206 1.00 41.14 C ATOM 1080 OG1 THR A 74 23.959 -6.331 11.266 1.00 62.54 O ATOM 1081 CG2 THR A 74 26.171 -5.816 11.789 1.00 44.43 C ATOM 0 H THR A 74 23.822 -8.367 9.576 1.00 24.33 H new ATOM 0 HA THR A 74 25.840 -6.183 9.276 1.00 13.33 H new ATOM 0 HB THR A 74 25.424 -7.836 11.743 1.00 41.14 H new ATOM 0 HG1 THR A 74 23.721 -6.155 12.200 1.00 62.54 H new ATOM 0 HG21 THR A 74 25.959 -5.697 12.852 1.00 44.43 H new ATOM 0 HG22 THR A 74 27.214 -6.104 11.657 1.00 44.43 H new ATOM 0 HG23 THR A 74 25.987 -4.873 11.275 1.00 44.43 H new ATOM 1089 N GLU A 75 27.650 -7.646 8.746 1.00 65.34 N ATOM 1090 CA GLU A 75 28.781 -8.490 8.398 1.00 5.31 C ATOM 1091 C GLU A 75 29.863 -8.398 9.477 1.00 71.53 C ATOM 1092 O GLU A 75 30.446 -7.336 9.688 1.00 62.34 O ATOM 1093 CB GLU A 75 29.343 -8.115 7.025 1.00 24.23 C ATOM 1094 CG GLU A 75 29.943 -9.337 6.326 1.00 21.04 C ATOM 1095 CD GLU A 75 31.100 -9.921 7.139 1.00 5.44 C ATOM 1096 OE1 GLU A 75 32.018 -9.183 7.529 1.00 21.20 O ATOM 1097 OE2 GLU A 75 31.024 -11.189 7.364 1.00 12.55 O ATOM 0 H GLU A 75 27.727 -6.679 8.432 1.00 65.34 H new ATOM 0 HA GLU A 75 28.436 -9.523 8.343 1.00 5.31 H new ATOM 0 HB2 GLU A 75 28.551 -7.691 6.408 1.00 24.23 H new ATOM 0 HB3 GLU A 75 30.106 -7.345 7.138 1.00 24.23 H new ATOM 0 HG2 GLU A 75 29.173 -10.095 6.187 1.00 21.04 H new ATOM 0 HG3 GLU A 75 30.296 -9.056 5.334 1.00 21.04 H new