USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 115:sc= 1.26 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -166:sc= 0.806 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0.689 (180deg=0.55) USER MOD Single : A 24 MET CE :methyl -178:sc= 0 (180deg=-0.00292) USER MOD Single : A 26 ASN : amide:sc= -0.934 X(o=-0.93,f=-0.8) USER MOD Single : A 28 ASN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 34 MET CE :methyl -131:sc= -0.132 (180deg=-0.336) USER MOD Single : A 38 MET CE :methyl -117:sc= -0.0471 (180deg=-1.05) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.777 (180deg=0.772) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.639 USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= -0.317 (180deg=-0.754) USER MOD Single : A 53 THR OG1 : rot -41:sc= 0.437 USER MOD Single : A 55 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 57 TYR OH : rot -140:sc= -0.014 USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 4 -9.735 1.148 5.869 1.00 55.53 N ATOM 64 CA LEU A 4 -8.754 2.046 5.294 1.00 21.20 C ATOM 65 C LEU A 4 -9.366 3.398 4.999 1.00 62.41 C ATOM 66 O LEU A 4 -10.583 3.521 4.850 1.00 45.51 O ATOM 67 CB LEU A 4 -8.204 1.490 3.988 1.00 31.13 C ATOM 68 CG LEU A 4 -7.427 0.186 4.070 1.00 13.10 C ATOM 69 CD1 LEU A 4 -6.988 -0.197 2.681 1.00 4.12 C ATOM 70 CD2 LEU A 4 -6.222 0.310 4.989 1.00 61.01 C ATOM 0 HA LEU A 4 -7.952 2.148 6.025 1.00 21.20 H new ATOM 0 HB2 LEU A 4 -9.039 1.345 3.302 1.00 31.13 H new ATOM 0 HB3 LEU A 4 -7.555 2.245 3.544 1.00 31.13 H new ATOM 0 HG LEU A 4 -8.072 -0.586 4.489 1.00 13.10 H new ATOM 0 HD11 LEU A 4 -6.428 -1.131 2.721 1.00 4.12 H new ATOM 0 HD12 LEU A 4 -7.864 -0.326 2.045 1.00 4.12 H new ATOM 0 HD13 LEU A 4 -6.354 0.589 2.270 1.00 4.12 H new ATOM 0 HD21 LEU A 4 -5.691 -0.641 5.023 1.00 61.01 H new ATOM 0 HD22 LEU A 4 -5.555 1.085 4.612 1.00 61.01 H new ATOM 0 HD23 LEU A 4 -6.555 0.575 5.992 1.00 61.01 H new ATOM 82 N THR A 5 -8.512 4.405 4.925 1.00 52.24 N ATOM 83 CA THR A 5 -8.901 5.694 4.394 1.00 51.23 C ATOM 84 C THR A 5 -8.635 5.709 2.873 1.00 51.52 C ATOM 85 O THR A 5 -8.020 4.783 2.331 1.00 61.05 O ATOM 86 CB THR A 5 -8.177 6.863 5.142 1.00 30.24 C ATOM 87 OG1 THR A 5 -8.787 8.123 4.830 1.00 33.20 O ATOM 88 CG2 THR A 5 -6.692 6.938 4.809 1.00 24.11 C ATOM 0 H THR A 5 -7.540 4.351 5.229 1.00 52.24 H new ATOM 0 HA THR A 5 -9.967 5.852 4.559 1.00 51.23 H new ATOM 0 HB THR A 5 -8.278 6.652 6.207 1.00 30.24 H new ATOM 0 HG1 THR A 5 -8.321 8.840 5.309 1.00 33.20 H new ATOM 0 HG21 THR A 5 -6.238 7.766 5.354 1.00 24.11 H new ATOM 0 HG22 THR A 5 -6.207 6.005 5.096 1.00 24.11 H new ATOM 0 HG23 THR A 5 -6.567 7.097 3.738 1.00 24.11 H new ATOM 96 N ILE A 6 -9.132 6.738 2.199 1.00 74.41 N ATOM 97 CA ILE A 6 -9.033 6.873 0.737 1.00 21.02 C ATOM 98 C ILE A 6 -7.573 6.992 0.261 1.00 1.34 C ATOM 99 O ILE A 6 -7.223 6.488 -0.804 1.00 11.13 O ATOM 100 CB ILE A 6 -9.848 8.110 0.257 1.00 44.05 C ATOM 101 CG1 ILE A 6 -11.231 8.180 0.948 1.00 50.13 C ATOM 102 CG2 ILE A 6 -10.021 8.111 -1.258 1.00 71.43 C ATOM 103 CD1 ILE A 6 -12.137 6.976 0.724 1.00 0.30 C ATOM 0 H ILE A 6 -9.621 7.513 2.648 1.00 74.41 H new ATOM 0 HA ILE A 6 -9.449 5.965 0.299 1.00 21.02 H new ATOM 0 HB ILE A 6 -9.277 8.994 0.539 1.00 44.05 H new ATOM 0 HG12 ILE A 6 -11.076 8.302 2.020 1.00 50.13 H new ATOM 0 HG13 ILE A 6 -11.749 9.073 0.597 1.00 50.13 H new ATOM 0 HG21 ILE A 6 -10.594 8.988 -1.558 1.00 71.43 H new ATOM 0 HG22 ILE A 6 -9.042 8.137 -1.736 1.00 71.43 H new ATOM 0 HG23 ILE A 6 -10.551 7.209 -1.564 1.00 71.43 H new ATOM 0 HD11 ILE A 6 -13.079 7.127 1.251 1.00 0.30 H new ATOM 0 HD12 ILE A 6 -12.332 6.860 -0.342 1.00 0.30 H new ATOM 0 HD13 ILE A 6 -11.649 6.078 1.103 1.00 0.30 H new ATOM 115 N GLU A 7 -6.726 7.600 1.094 1.00 45.34 N ATOM 116 CA GLU A 7 -5.323 7.848 0.761 1.00 64.32 C ATOM 117 C GLU A 7 -4.485 6.566 0.754 1.00 0.45 C ATOM 118 O GLU A 7 -3.462 6.522 0.077 1.00 40.45 O ATOM 119 CB GLU A 7 -4.683 8.854 1.730 1.00 22.23 C ATOM 120 CG GLU A 7 -5.213 10.282 1.633 1.00 13.22 C ATOM 121 CD GLU A 7 -6.515 10.497 2.377 1.00 10.31 C ATOM 122 OE1 GLU A 7 -6.476 10.641 3.614 1.00 40.33 O ATOM 123 OE2 GLU A 7 -7.577 10.516 1.732 1.00 53.24 O ATOM 0 H GLU A 7 -6.995 7.934 2.019 1.00 45.34 H new ATOM 0 HA GLU A 7 -5.329 8.263 -0.247 1.00 64.32 H new ATOM 0 HB2 GLU A 7 -4.832 8.497 2.749 1.00 22.23 H new ATOM 0 HB3 GLU A 7 -3.608 8.870 1.553 1.00 22.23 H new ATOM 0 HG2 GLU A 7 -4.462 10.967 2.026 1.00 13.22 H new ATOM 0 HG3 GLU A 7 -5.358 10.536 0.583 1.00 13.22 H new ATOM 130 N GLU A 8 -4.929 5.537 1.493 1.00 51.20 N ATOM 131 CA GLU A 8 -4.252 4.227 1.515 1.00 52.15 C ATOM 132 C GLU A 8 -4.304 3.580 0.132 1.00 52.23 C ATOM 133 O GLU A 8 -3.288 3.206 -0.437 1.00 11.11 O ATOM 134 CB GLU A 8 -4.934 3.268 2.499 1.00 52.33 C ATOM 135 CG GLU A 8 -5.106 3.796 3.907 1.00 72.24 C ATOM 136 CD GLU A 8 -3.818 3.916 4.678 1.00 21.25 C ATOM 137 OE1 GLU A 8 -3.178 2.883 4.940 1.00 31.53 O ATOM 138 OE2 GLU A 8 -3.472 5.035 5.064 1.00 74.12 O ATOM 0 H GLU A 8 -5.757 5.586 2.086 1.00 51.20 H new ATOM 0 HA GLU A 8 -3.221 4.403 1.821 1.00 52.15 H new ATOM 0 HB2 GLU A 8 -5.916 3.008 2.104 1.00 52.33 H new ATOM 0 HB3 GLU A 8 -4.354 2.346 2.543 1.00 52.33 H new ATOM 0 HG2 GLU A 8 -5.583 4.775 3.861 1.00 72.24 H new ATOM 0 HG3 GLU A 8 -5.783 3.137 4.451 1.00 72.24 H new ATOM 145 N THR A 9 -5.518 3.502 -0.397 1.00 33.52 N ATOM 146 CA THR A 9 -5.795 2.913 -1.697 1.00 75.41 C ATOM 147 C THR A 9 -5.329 3.811 -2.854 1.00 55.31 C ATOM 148 O THR A 9 -5.048 3.322 -3.940 1.00 70.12 O ATOM 149 CB THR A 9 -7.292 2.581 -1.819 1.00 2.40 C ATOM 150 OG1 THR A 9 -8.025 3.283 -0.807 1.00 10.32 O ATOM 151 CG2 THR A 9 -7.531 1.088 -1.670 1.00 13.51 C ATOM 0 H THR A 9 -6.351 3.853 0.075 1.00 33.52 H new ATOM 0 HA THR A 9 -5.222 1.989 -1.771 1.00 75.41 H new ATOM 0 HB THR A 9 -7.633 2.891 -2.807 1.00 2.40 H new ATOM 0 HG1 THR A 9 -8.627 3.931 -1.229 1.00 10.32 H new ATOM 0 HG21 THR A 9 -8.597 0.879 -1.760 1.00 13.51 H new ATOM 0 HG22 THR A 9 -6.989 0.553 -2.450 1.00 13.51 H new ATOM 0 HG23 THR A 9 -7.178 0.759 -0.693 1.00 13.51 H new ATOM 159 N ASN A 10 -5.268 5.124 -2.611 1.00 44.12 N ATOM 160 CA ASN A 10 -4.696 6.083 -3.566 1.00 1.32 C ATOM 161 C ASN A 10 -3.182 5.867 -3.730 1.00 62.34 C ATOM 162 O ASN A 10 -2.661 5.929 -4.842 1.00 62.24 O ATOM 163 CB ASN A 10 -5.008 7.519 -3.100 1.00 55.10 C ATOM 164 CG ASN A 10 -4.330 8.602 -3.925 1.00 52.00 C ATOM 165 OD1 ASN A 10 -4.777 8.941 -5.017 1.00 75.20 O ATOM 166 ND2 ASN A 10 -3.277 9.191 -3.377 1.00 22.40 N ATOM 0 H ASN A 10 -5.612 5.552 -1.751 1.00 44.12 H new ATOM 0 HA ASN A 10 -5.150 5.923 -4.544 1.00 1.32 H new ATOM 0 HB2 ASN A 10 -6.086 7.674 -3.133 1.00 55.10 H new ATOM 0 HB3 ASN A 10 -4.703 7.626 -2.059 1.00 55.10 H new ATOM 0 HD21 ASN A 10 -2.808 9.955 -3.865 1.00 22.40 H new ATOM 0 HD22 ASN A 10 -2.935 8.881 -2.467 1.00 22.40 H new ATOM 173 N LEU A 11 -2.505 5.578 -2.618 1.00 41.43 N ATOM 174 CA LEU A 11 -1.074 5.258 -2.607 1.00 11.20 C ATOM 175 C LEU A 11 -0.806 3.898 -3.263 1.00 21.21 C ATOM 176 O LEU A 11 0.191 3.729 -3.969 1.00 44.55 O ATOM 177 CB LEU A 11 -0.576 5.263 -1.161 1.00 51.41 C ATOM 178 CG LEU A 11 0.824 4.702 -0.910 1.00 14.44 C ATOM 179 CD1 LEU A 11 1.907 5.611 -1.468 1.00 64.31 C ATOM 180 CD2 LEU A 11 1.015 4.490 0.567 1.00 65.13 C ATOM 0 H LEU A 11 -2.935 5.559 -1.693 1.00 41.43 H new ATOM 0 HA LEU A 11 -0.536 6.010 -3.184 1.00 11.20 H new ATOM 0 HB2 LEU A 11 -0.600 6.290 -0.797 1.00 51.41 H new ATOM 0 HB3 LEU A 11 -1.283 4.694 -0.557 1.00 51.41 H new ATOM 0 HG LEU A 11 0.912 3.749 -1.431 1.00 14.44 H new ATOM 0 HD11 LEU A 11 2.886 5.176 -1.268 1.00 64.31 H new ATOM 0 HD12 LEU A 11 1.771 5.721 -2.544 1.00 64.31 H new ATOM 0 HD13 LEU A 11 1.841 6.590 -0.992 1.00 64.31 H new ATOM 0 HD21 LEU A 11 2.012 4.090 0.751 1.00 65.13 H new ATOM 0 HD22 LEU A 11 0.903 5.441 1.088 1.00 65.13 H new ATOM 0 HD23 LEU A 11 0.268 3.786 0.933 1.00 65.13 H new ATOM 192 N LEU A 12 -1.719 2.950 -3.036 1.00 33.23 N ATOM 193 CA LEU A 12 -1.651 1.629 -3.659 1.00 74.33 C ATOM 194 C LEU A 12 -1.842 1.706 -5.162 1.00 0.44 C ATOM 195 O LEU A 12 -1.270 0.912 -5.875 1.00 75.33 O ATOM 196 CB LEU A 12 -2.705 0.688 -3.089 1.00 41.03 C ATOM 197 CG LEU A 12 -2.537 0.299 -1.633 1.00 21.40 C ATOM 198 CD1 LEU A 12 -3.654 -0.638 -1.222 1.00 63.33 C ATOM 199 CD2 LEU A 12 -1.184 -0.345 -1.398 1.00 2.41 C ATOM 0 H LEU A 12 -2.521 3.077 -2.419 1.00 33.23 H new ATOM 0 HA LEU A 12 -0.656 1.241 -3.440 1.00 74.33 H new ATOM 0 HB2 LEU A 12 -3.682 1.156 -3.208 1.00 41.03 H new ATOM 0 HB3 LEU A 12 -2.712 -0.222 -3.688 1.00 41.03 H new ATOM 0 HG LEU A 12 -2.587 1.200 -1.022 1.00 21.40 H new ATOM 0 HD11 LEU A 12 -3.530 -0.915 -0.175 1.00 63.33 H new ATOM 0 HD12 LEU A 12 -4.614 -0.139 -1.354 1.00 63.33 H new ATOM 0 HD13 LEU A 12 -3.623 -1.535 -1.841 1.00 63.33 H new ATOM 0 HD21 LEU A 12 -1.087 -0.615 -0.346 1.00 2.41 H new ATOM 0 HD22 LEU A 12 -1.096 -1.241 -2.012 1.00 2.41 H new ATOM 0 HD23 LEU A 12 -0.395 0.358 -1.666 1.00 2.41 H new ATOM 211 N SER A 13 -2.644 2.672 -5.619 1.00 54.52 N ATOM 212 CA SER A 13 -2.886 2.900 -7.044 1.00 63.34 C ATOM 213 C SER A 13 -1.606 3.362 -7.761 1.00 11.22 C ATOM 214 O SER A 13 -1.387 3.021 -8.925 1.00 15.42 O ATOM 215 CB SER A 13 -4.004 3.941 -7.209 1.00 64.01 C ATOM 216 OG SER A 13 -4.359 4.136 -8.569 1.00 55.35 O ATOM 0 H SER A 13 -3.144 3.319 -5.009 1.00 54.52 H new ATOM 0 HA SER A 13 -3.195 1.960 -7.502 1.00 63.34 H new ATOM 0 HB2 SER A 13 -4.882 3.620 -6.649 1.00 64.01 H new ATOM 0 HB3 SER A 13 -3.681 4.890 -6.780 1.00 64.01 H new ATOM 0 HG SER A 13 -5.074 4.804 -8.628 1.00 55.35 H new ATOM 222 N ILE A 14 -0.755 4.107 -7.038 1.00 21.31 N ATOM 223 CA ILE A 14 0.535 4.591 -7.555 1.00 0.15 C ATOM 224 C ILE A 14 1.506 3.415 -7.798 1.00 53.24 C ATOM 225 O ILE A 14 2.243 3.396 -8.786 1.00 13.34 O ATOM 226 CB ILE A 14 1.175 5.614 -6.562 1.00 12.53 C ATOM 227 CG1 ILE A 14 0.176 6.740 -6.278 1.00 44.21 C ATOM 228 CG2 ILE A 14 2.491 6.196 -7.101 1.00 14.43 C ATOM 229 CD1 ILE A 14 0.592 7.682 -5.174 1.00 32.51 C ATOM 0 H ILE A 14 -0.942 4.391 -6.077 1.00 21.31 H new ATOM 0 HA ILE A 14 0.350 5.091 -8.506 1.00 0.15 H new ATOM 0 HB ILE A 14 1.412 5.085 -5.639 1.00 12.53 H new ATOM 0 HG12 ILE A 14 0.026 7.315 -7.192 1.00 44.21 H new ATOM 0 HG13 ILE A 14 -0.786 6.298 -6.018 1.00 44.21 H new ATOM 0 HG21 ILE A 14 2.900 6.902 -6.378 1.00 14.43 H new ATOM 0 HG22 ILE A 14 3.206 5.389 -7.265 1.00 14.43 H new ATOM 0 HG23 ILE A 14 2.302 6.710 -8.043 1.00 14.43 H new ATOM 0 HD11 ILE A 14 -0.173 8.447 -5.041 1.00 32.51 H new ATOM 0 HD12 ILE A 14 0.712 7.124 -4.246 1.00 32.51 H new ATOM 0 HD13 ILE A 14 1.537 8.156 -5.437 1.00 32.51 H new ATOM 241 N TYR A 15 1.449 2.414 -6.918 1.00 44.03 N ATOM 242 CA TYR A 15 2.405 1.303 -6.932 1.00 12.00 C ATOM 243 C TYR A 15 1.730 -0.041 -7.221 1.00 51.22 C ATOM 244 O TYR A 15 2.244 -1.093 -6.835 1.00 52.31 O ATOM 245 CB TYR A 15 3.149 1.267 -5.588 1.00 43.22 C ATOM 246 CG TYR A 15 3.992 2.497 -5.375 1.00 30.05 C ATOM 247 CD1 TYR A 15 5.075 2.754 -6.204 1.00 30.33 C ATOM 248 CD2 TYR A 15 3.683 3.422 -4.391 1.00 65.32 C ATOM 249 CE1 TYR A 15 5.829 3.892 -6.056 1.00 33.24 C ATOM 250 CE2 TYR A 15 4.426 4.571 -4.245 1.00 33.33 C ATOM 251 CZ TYR A 15 5.499 4.798 -5.080 1.00 15.53 C ATOM 252 OH TYR A 15 6.233 5.947 -4.952 1.00 42.12 O ATOM 0 H TYR A 15 0.746 2.349 -6.182 1.00 44.03 H new ATOM 0 HA TYR A 15 3.114 1.470 -7.743 1.00 12.00 H new ATOM 0 HB2 TYR A 15 2.427 1.178 -4.776 1.00 43.22 H new ATOM 0 HB3 TYR A 15 3.784 0.382 -5.549 1.00 43.22 H new ATOM 0 HD1 TYR A 15 5.329 2.046 -6.979 1.00 30.33 H new ATOM 0 HD2 TYR A 15 2.849 3.239 -3.730 1.00 65.32 H new ATOM 0 HE1 TYR A 15 6.675 4.072 -6.703 1.00 33.24 H new ATOM 0 HE2 TYR A 15 4.170 5.290 -3.481 1.00 33.33 H new ATOM 0 HH TYR A 15 6.025 6.374 -4.095 1.00 42.12 H new ATOM 262 N ASN A 16 0.620 -0.001 -7.963 1.00 35.13 N ATOM 263 CA ASN A 16 -0.201 -1.190 -8.205 1.00 2.32 C ATOM 264 C ASN A 16 0.357 -2.011 -9.359 1.00 74.30 C ATOM 265 O ASN A 16 0.077 -1.722 -10.525 1.00 61.14 O ATOM 266 CB ASN A 16 -1.650 -0.781 -8.511 1.00 20.55 C ATOM 267 CG ASN A 16 -2.663 -1.886 -8.251 1.00 2.14 C ATOM 268 OD1 ASN A 16 -2.367 -3.075 -8.315 1.00 31.44 O ATOM 269 ND2 ASN A 16 -3.884 -1.490 -7.967 1.00 32.35 N ATOM 0 H ASN A 16 0.268 0.846 -8.408 1.00 35.13 H new ATOM 0 HA ASN A 16 -0.183 -1.803 -7.304 1.00 2.32 H new ATOM 0 HB2 ASN A 16 -1.909 0.088 -7.906 1.00 20.55 H new ATOM 0 HB3 ASN A 16 -1.719 -0.474 -9.555 1.00 20.55 H new ATOM 0 HD21 ASN A 16 -4.616 -2.179 -7.793 1.00 32.35 H new ATOM 0 HD22 ASN A 16 -4.099 -0.494 -7.921 1.00 32.35 H new ATOM 276 N GLU A 17 1.152 -3.023 -9.022 1.00 1.41 N ATOM 277 CA GLU A 17 1.774 -3.891 -10.013 1.00 22.15 C ATOM 278 C GLU A 17 2.339 -5.137 -9.335 1.00 33.33 C ATOM 279 O GLU A 17 2.933 -5.030 -8.274 1.00 33.32 O ATOM 280 CB GLU A 17 2.904 -3.132 -10.733 1.00 33.24 C ATOM 281 CG GLU A 17 3.373 -3.785 -12.019 1.00 52.53 C ATOM 282 CD GLU A 17 4.443 -2.982 -12.725 1.00 44.42 C ATOM 283 OE1 GLU A 17 5.589 -2.959 -12.237 1.00 45.11 O ATOM 284 OE2 GLU A 17 4.141 -2.373 -13.770 1.00 11.33 O ATOM 0 H GLU A 17 1.381 -3.262 -8.057 1.00 1.41 H new ATOM 0 HA GLU A 17 1.022 -4.194 -10.742 1.00 22.15 H new ATOM 0 HB2 GLU A 17 2.562 -2.121 -10.956 1.00 33.24 H new ATOM 0 HB3 GLU A 17 3.753 -3.039 -10.056 1.00 33.24 H new ATOM 0 HG2 GLU A 17 3.759 -4.780 -11.797 1.00 52.53 H new ATOM 0 HG3 GLU A 17 2.522 -3.915 -12.687 1.00 52.53 H new ATOM 291 N GLY A 18 2.115 -6.307 -9.940 1.00 14.32 N ATOM 292 CA GLY A 18 2.786 -7.541 -9.518 1.00 53.45 C ATOM 293 C GLY A 18 2.181 -8.228 -8.297 1.00 50.10 C ATOM 294 O GLY A 18 2.878 -8.982 -7.608 1.00 51.14 O ATOM 0 H GLY A 18 1.474 -6.426 -10.724 1.00 14.32 H new ATOM 0 HA2 GLY A 18 2.776 -8.243 -10.351 1.00 53.45 H new ATOM 0 HA3 GLY A 18 3.830 -7.313 -9.306 1.00 53.45 H new ATOM 298 N GLY A 19 0.900 -7.976 -8.028 1.00 41.42 N ATOM 299 CA GLY A 19 0.234 -8.574 -6.875 1.00 62.21 C ATOM 300 C GLY A 19 0.632 -7.908 -5.569 1.00 41.02 C ATOM 301 O GLY A 19 0.865 -6.709 -5.535 1.00 63.22 O ATOM 0 H GLY A 19 0.307 -7.365 -8.590 1.00 41.42 H new ATOM 0 HA2 GLY A 19 -0.846 -8.500 -7.003 1.00 62.21 H new ATOM 0 HA3 GLY A 19 0.478 -9.635 -6.828 1.00 62.21 H new ATOM 305 N LYS A 20 0.727 -8.700 -4.505 1.00 13.33 N ATOM 306 CA LYS A 20 1.176 -8.213 -3.198 1.00 23.33 C ATOM 307 C LYS A 20 2.698 -8.091 -3.161 1.00 35.42 C ATOM 308 O LYS A 20 3.234 -7.154 -2.566 1.00 52.21 O ATOM 309 CB LYS A 20 0.683 -9.156 -2.087 1.00 12.34 C ATOM 310 CG LYS A 20 1.357 -8.962 -0.737 1.00 61.24 C ATOM 311 CD LYS A 20 1.037 -10.100 0.198 1.00 2.52 C ATOM 312 CE LYS A 20 1.809 -9.979 1.500 1.00 75.45 C ATOM 313 NZ LYS A 20 1.502 -11.085 2.445 1.00 62.35 N ATOM 0 H LYS A 20 0.497 -9.694 -4.521 1.00 13.33 H new ATOM 0 HA LYS A 20 0.753 -7.222 -3.031 1.00 23.33 H new ATOM 0 HB2 LYS A 20 -0.391 -9.018 -1.964 1.00 12.34 H new ATOM 0 HB3 LYS A 20 0.837 -10.186 -2.409 1.00 12.34 H new ATOM 0 HG2 LYS A 20 2.436 -8.891 -0.873 1.00 61.24 H new ATOM 0 HG3 LYS A 20 1.029 -8.021 -0.295 1.00 61.24 H new ATOM 0 HD2 LYS A 20 -0.033 -10.112 0.407 1.00 2.52 H new ATOM 0 HD3 LYS A 20 1.278 -11.048 -0.283 1.00 2.52 H new ATOM 0 HE2 LYS A 20 2.878 -9.973 1.286 1.00 75.45 H new ATOM 0 HE3 LYS A 20 1.573 -9.025 1.972 1.00 75.45 H new ATOM 0 HZ1 LYS A 20 1.842 -10.834 3.395 1.00 62.35 H new ATOM 0 HZ2 LYS A 20 0.474 -11.240 2.475 1.00 62.35 H new ATOM 0 HZ3 LYS A 20 1.974 -11.955 2.126 1.00 62.35 H new ATOM 327 N ARG A 21 3.384 -9.033 -3.815 1.00 42.25 N ATOM 328 CA ARG A 21 4.847 -9.048 -3.847 1.00 70.05 C ATOM 329 C ARG A 21 5.384 -7.834 -4.576 1.00 20.44 C ATOM 330 O ARG A 21 6.262 -7.151 -4.061 1.00 61.24 O ATOM 331 CB ARG A 21 5.385 -10.325 -4.504 1.00 23.25 C ATOM 332 CG ARG A 21 5.656 -11.468 -3.538 1.00 63.22 C ATOM 333 CD ARG A 21 4.377 -12.038 -2.948 1.00 75.31 C ATOM 334 NE ARG A 21 4.614 -13.210 -2.108 1.00 33.40 N ATOM 335 CZ ARG A 21 3.717 -14.177 -1.903 1.00 22.52 C ATOM 336 NH1 ARG A 21 2.537 -14.148 -2.514 1.00 24.34 N ATOM 337 NH2 ARG A 21 4.007 -15.183 -1.088 1.00 42.53 N ATOM 0 H ARG A 21 2.947 -9.797 -4.331 1.00 42.25 H new ATOM 0 HA ARG A 21 5.190 -9.024 -2.813 1.00 70.05 H new ATOM 0 HB2 ARG A 21 4.669 -10.662 -5.253 1.00 23.25 H new ATOM 0 HB3 ARG A 21 6.309 -10.085 -5.031 1.00 23.25 H new ATOM 0 HG2 ARG A 21 6.198 -12.259 -4.057 1.00 63.22 H new ATOM 0 HG3 ARG A 21 6.300 -11.115 -2.732 1.00 63.22 H new ATOM 0 HD2 ARG A 21 3.880 -11.268 -2.358 1.00 75.31 H new ATOM 0 HD3 ARG A 21 3.698 -12.308 -3.757 1.00 75.31 H new ATOM 0 HE ARG A 21 5.521 -13.294 -1.650 1.00 33.40 H new ATOM 0 HH11 ARG A 21 2.309 -13.381 -3.147 1.00 24.34 H new ATOM 0 HH12 ARG A 21 1.859 -14.892 -2.350 1.00 24.34 H new ATOM 0 HH21 ARG A 21 4.913 -15.216 -0.620 1.00 42.53 H new ATOM 0 HH22 ARG A 21 3.324 -15.924 -0.929 1.00 42.53 H new ATOM 351 N GLY A 22 4.824 -7.555 -5.750 1.00 54.42 N ATOM 352 CA GLY A 22 5.205 -6.380 -6.506 1.00 44.24 C ATOM 353 C GLY A 22 4.808 -5.083 -5.818 1.00 52.31 C ATOM 354 O GLY A 22 5.541 -4.113 -5.904 1.00 15.20 O ATOM 0 H GLY A 22 4.107 -8.129 -6.192 1.00 54.42 H new ATOM 0 HA2 GLY A 22 6.284 -6.388 -6.662 1.00 44.24 H new ATOM 0 HA3 GLY A 22 4.740 -6.421 -7.491 1.00 44.24 H new ATOM 358 N LEU A 23 3.649 -5.087 -5.135 1.00 32.32 N ATOM 359 CA LEU A 23 3.170 -3.927 -4.363 1.00 53.14 C ATOM 360 C LEU A 23 4.187 -3.515 -3.296 1.00 62.42 C ATOM 361 O LEU A 23 4.534 -2.342 -3.185 1.00 50.34 O ATOM 362 CB LEU A 23 1.829 -4.250 -3.672 1.00 70.20 C ATOM 363 CG LEU A 23 0.649 -3.309 -3.993 1.00 11.22 C ATOM 364 CD1 LEU A 23 1.018 -1.849 -3.771 1.00 32.11 C ATOM 365 CD2 LEU A 23 0.154 -3.513 -5.415 1.00 22.21 C ATOM 0 H LEU A 23 3.021 -5.890 -5.103 1.00 32.32 H new ATOM 0 HA LEU A 23 3.034 -3.105 -5.065 1.00 53.14 H new ATOM 0 HB2 LEU A 23 1.540 -5.265 -3.944 1.00 70.20 H new ATOM 0 HB3 LEU A 23 1.989 -4.242 -2.594 1.00 70.20 H new ATOM 0 HG LEU A 23 -0.157 -3.563 -3.305 1.00 11.22 H new ATOM 0 HD11 LEU A 23 0.162 -1.217 -4.007 1.00 32.11 H new ATOM 0 HD12 LEU A 23 1.302 -1.700 -2.729 1.00 32.11 H new ATOM 0 HD13 LEU A 23 1.855 -1.583 -4.417 1.00 32.11 H new ATOM 0 HD21 LEU A 23 -0.677 -2.836 -5.611 1.00 22.21 H new ATOM 0 HD22 LEU A 23 0.963 -3.306 -6.115 1.00 22.21 H new ATOM 0 HD23 LEU A 23 -0.180 -4.543 -5.540 1.00 22.21 H new ATOM 377 N MET A 24 4.681 -4.504 -2.554 1.00 0.34 N ATOM 378 CA MET A 24 5.649 -4.283 -1.485 1.00 64.52 C ATOM 379 C MET A 24 7.007 -3.853 -2.021 1.00 20.13 C ATOM 380 O MET A 24 7.662 -3.024 -1.412 1.00 13.44 O ATOM 381 CB MET A 24 5.798 -5.540 -0.631 1.00 53.15 C ATOM 382 CG MET A 24 4.648 -5.754 0.326 1.00 71.12 C ATOM 383 SD MET A 24 4.835 -7.232 1.331 1.00 12.00 S ATOM 384 CE MET A 24 3.602 -6.909 2.586 1.00 23.35 C ATOM 0 H MET A 24 4.420 -5.482 -2.678 1.00 0.34 H new ATOM 0 HA MET A 24 5.266 -3.470 -0.868 1.00 64.52 H new ATOM 0 HB2 MET A 24 5.883 -6.407 -1.286 1.00 53.15 H new ATOM 0 HB3 MET A 24 6.727 -5.477 -0.064 1.00 53.15 H new ATOM 0 HG2 MET A 24 4.560 -4.886 0.979 1.00 71.12 H new ATOM 0 HG3 MET A 24 3.719 -5.822 -0.240 1.00 71.12 H new ATOM 0 HE1 MET A 24 3.608 -7.716 3.318 1.00 23.35 H new ATOM 0 HE2 MET A 24 3.828 -5.966 3.084 1.00 23.35 H new ATOM 0 HE3 MET A 24 2.618 -6.848 2.122 1.00 23.35 H new ATOM 394 N GLU A 25 7.403 -4.389 -3.175 1.00 71.44 N ATOM 395 CA GLU A 25 8.693 -4.055 -3.786 1.00 11.41 C ATOM 396 C GLU A 25 8.700 -2.643 -4.375 1.00 1.12 C ATOM 397 O GLU A 25 9.720 -1.968 -4.335 1.00 40.31 O ATOM 398 CB GLU A 25 9.076 -5.079 -4.862 1.00 74.34 C ATOM 399 CG GLU A 25 9.353 -6.476 -4.321 1.00 73.01 C ATOM 400 CD GLU A 25 10.384 -6.488 -3.214 1.00 32.30 C ATOM 401 OE1 GLU A 25 11.588 -6.389 -3.515 1.00 1.42 O ATOM 402 OE2 GLU A 25 9.995 -6.587 -2.033 1.00 63.41 O ATOM 0 H GLU A 25 6.848 -5.059 -3.708 1.00 71.44 H new ATOM 0 HA GLU A 25 9.437 -4.088 -2.990 1.00 11.41 H new ATOM 0 HB2 GLU A 25 8.271 -5.138 -5.595 1.00 74.34 H new ATOM 0 HB3 GLU A 25 9.961 -4.723 -5.389 1.00 74.34 H new ATOM 0 HG2 GLU A 25 8.423 -6.906 -3.949 1.00 73.01 H new ATOM 0 HG3 GLU A 25 9.696 -7.114 -5.136 1.00 73.01 H new ATOM 409 N ASN A 26 7.551 -2.201 -4.891 1.00 71.41 N ATOM 410 CA ASN A 26 7.394 -0.844 -5.428 1.00 50.13 C ATOM 411 C ASN A 26 7.398 0.202 -4.311 1.00 11.13 C ATOM 412 O ASN A 26 7.957 1.287 -4.468 1.00 35.32 O ATOM 413 CB ASN A 26 6.096 -0.727 -6.236 1.00 64.45 C ATOM 414 CG ASN A 26 6.137 -1.440 -7.577 1.00 62.12 C ATOM 415 OD1 ASN A 26 7.179 -1.536 -8.214 1.00 52.15 O ATOM 416 ND2 ASN A 26 4.992 -1.938 -8.015 1.00 23.34 N ATOM 0 H ASN A 26 6.706 -2.769 -4.949 1.00 71.41 H new ATOM 0 HA ASN A 26 8.244 -0.654 -6.084 1.00 50.13 H new ATOM 0 HB2 ASN A 26 5.275 -1.133 -5.645 1.00 64.45 H new ATOM 0 HB3 ASN A 26 5.878 0.328 -6.403 1.00 64.45 H new ATOM 0 HD21 ASN A 26 4.956 -2.422 -8.912 1.00 23.34 H new ATOM 0 HD22 ASN A 26 4.145 -1.838 -7.455 1.00 23.34 H new ATOM 423 N ILE A 27 6.784 -0.143 -3.179 1.00 0.22 N ATOM 424 CA ILE A 27 6.732 0.742 -2.015 1.00 1.33 C ATOM 425 C ILE A 27 8.101 0.819 -1.306 1.00 41.44 C ATOM 426 O ILE A 27 8.538 1.906 -0.954 1.00 25.13 O ATOM 427 CB ILE A 27 5.596 0.298 -1.036 1.00 32.40 C ATOM 428 CG1 ILE A 27 4.228 0.599 -1.681 1.00 71.42 C ATOM 429 CG2 ILE A 27 5.708 0.981 0.332 1.00 22.10 C ATOM 430 CD1 ILE A 27 3.023 0.122 -0.886 1.00 34.32 C ATOM 0 H ILE A 27 6.312 -1.037 -3.043 1.00 0.22 H new ATOM 0 HA ILE A 27 6.497 1.748 -2.362 1.00 1.33 H new ATOM 0 HB ILE A 27 5.698 -0.773 -0.860 1.00 32.40 H new ATOM 0 HG12 ILE A 27 4.143 1.675 -1.830 1.00 71.42 H new ATOM 0 HG13 ILE A 27 4.199 0.137 -2.668 1.00 71.42 H new ATOM 0 HG21 ILE A 27 4.897 0.640 0.976 1.00 22.10 H new ATOM 0 HG22 ILE A 27 6.665 0.727 0.788 1.00 22.10 H new ATOM 0 HG23 ILE A 27 5.641 2.062 0.206 1.00 22.10 H new ATOM 0 HD11 ILE A 27 2.109 0.380 -1.421 1.00 34.32 H new ATOM 0 HD12 ILE A 27 3.076 -0.959 -0.758 1.00 34.32 H new ATOM 0 HD13 ILE A 27 3.019 0.603 0.092 1.00 34.32 H new ATOM 442 N ASN A 28 8.788 -0.326 -1.159 1.00 13.34 N ATOM 443 CA ASN A 28 10.104 -0.382 -0.484 1.00 13.25 C ATOM 444 C ASN A 28 11.218 0.278 -1.296 1.00 10.33 C ATOM 445 O ASN A 28 12.173 0.811 -0.720 1.00 14.15 O ATOM 446 CB ASN A 28 10.503 -1.824 -0.154 1.00 55.24 C ATOM 447 CG ASN A 28 10.027 -2.270 1.220 1.00 55.24 C ATOM 448 OD1 ASN A 28 10.729 -2.110 2.217 1.00 33.12 O ATOM 449 ND2 ASN A 28 8.837 -2.844 1.281 1.00 60.44 N ATOM 0 H ASN A 28 8.457 -1.229 -1.498 1.00 13.34 H new ATOM 0 HA ASN A 28 9.984 0.183 0.441 1.00 13.25 H new ATOM 0 HB2 ASN A 28 10.091 -2.492 -0.910 1.00 55.24 H new ATOM 0 HB3 ASN A 28 11.588 -1.916 -0.205 1.00 55.24 H new ATOM 0 HD21 ASN A 28 8.474 -3.171 2.176 1.00 60.44 H new ATOM 0 HD22 ASN A 28 8.283 -2.960 0.433 1.00 60.44 H new ATOM 456 N ALA A 29 11.083 0.267 -2.624 1.00 2.51 N ATOM 457 CA ALA A 29 12.040 0.934 -3.505 1.00 2.41 C ATOM 458 C ALA A 29 11.883 2.452 -3.447 1.00 72.42 C ATOM 459 O ALA A 29 12.848 3.188 -3.636 1.00 53.23 O ATOM 460 CB ALA A 29 11.881 0.451 -4.936 1.00 3.34 C ATOM 0 H ALA A 29 10.318 -0.198 -3.112 1.00 2.51 H new ATOM 0 HA ALA A 29 13.040 0.679 -3.155 1.00 2.41 H new ATOM 0 HB1 ALA A 29 12.603 0.960 -5.574 1.00 3.34 H new ATOM 0 HB2 ALA A 29 12.054 -0.624 -4.978 1.00 3.34 H new ATOM 0 HB3 ALA A 29 10.871 0.670 -5.284 1.00 3.34 H new ATOM 466 N ALA A 30 10.667 2.908 -3.157 1.00 62.52 N ATOM 467 CA ALA A 30 10.369 4.327 -3.086 1.00 42.55 C ATOM 468 C ALA A 30 10.164 4.802 -1.640 1.00 20.01 C ATOM 469 O ALA A 30 9.605 5.873 -1.412 1.00 64.42 O ATOM 470 CB ALA A 30 9.154 4.637 -3.942 1.00 65.14 C ATOM 0 H ALA A 30 9.868 2.304 -2.966 1.00 62.52 H new ATOM 0 HA ALA A 30 11.228 4.874 -3.474 1.00 42.55 H new ATOM 0 HB1 ALA A 30 8.932 5.703 -3.887 1.00 65.14 H new ATOM 0 HB2 ALA A 30 9.358 4.362 -4.977 1.00 65.14 H new ATOM 0 HB3 ALA A 30 8.298 4.069 -3.578 1.00 65.14 H new ATOM 476 N LEU A 31 10.632 4.004 -0.671 1.00 24.40 N ATOM 477 CA LEU A 31 10.651 4.418 0.739 1.00 21.13 C ATOM 478 C LEU A 31 11.655 5.557 1.019 1.00 5.13 C ATOM 479 O LEU A 31 11.312 6.447 1.781 1.00 3.40 O ATOM 480 CB LEU A 31 10.904 3.244 1.698 1.00 11.14 C ATOM 481 CG LEU A 31 9.690 2.371 2.037 1.00 72.40 C ATOM 482 CD1 LEU A 31 10.081 1.297 3.037 1.00 1.44 C ATOM 483 CD2 LEU A 31 8.547 3.211 2.596 1.00 41.31 C ATOM 0 H LEU A 31 11.002 3.068 -0.837 1.00 24.40 H new ATOM 0 HA LEU A 31 9.649 4.803 0.931 1.00 21.13 H new ATOM 0 HB2 LEU A 31 11.673 2.606 1.263 1.00 11.14 H new ATOM 0 HB3 LEU A 31 11.309 3.643 2.628 1.00 11.14 H new ATOM 0 HG LEU A 31 9.347 1.898 1.117 1.00 72.40 H new ATOM 0 HD11 LEU A 31 9.211 0.683 3.270 1.00 1.44 H new ATOM 0 HD12 LEU A 31 10.864 0.670 2.610 1.00 1.44 H new ATOM 0 HD13 LEU A 31 10.449 1.766 3.949 1.00 1.44 H new ATOM 0 HD21 LEU A 31 7.700 2.565 2.827 1.00 41.31 H new ATOM 0 HD22 LEU A 31 8.877 3.716 3.504 1.00 41.31 H new ATOM 0 HD23 LEU A 31 8.246 3.954 1.857 1.00 41.31 H new ATOM 495 N PRO A 32 12.908 5.582 0.437 1.00 63.33 N ATOM 496 CA PRO A 32 13.764 6.787 0.503 1.00 34.14 C ATOM 497 C PRO A 32 13.277 7.950 -0.390 1.00 41.24 C ATOM 498 O PRO A 32 13.869 9.032 -0.389 1.00 5.21 O ATOM 499 CB PRO A 32 15.127 6.284 0.013 1.00 74.13 C ATOM 500 CG PRO A 32 14.814 5.124 -0.854 1.00 34.51 C ATOM 501 CD PRO A 32 13.636 4.456 -0.213 1.00 73.34 C ATOM 0 HA PRO A 32 13.769 7.204 1.510 1.00 34.14 H new ATOM 0 HB2 PRO A 32 15.659 7.058 -0.540 1.00 74.13 H new ATOM 0 HB3 PRO A 32 15.765 5.993 0.848 1.00 74.13 H new ATOM 0 HG2 PRO A 32 14.580 5.444 -1.869 1.00 34.51 H new ATOM 0 HG3 PRO A 32 15.663 4.444 -0.922 1.00 34.51 H new ATOM 0 HD2 PRO A 32 13.013 3.947 -0.949 1.00 73.34 H new ATOM 0 HD3 PRO A 32 13.947 3.706 0.514 1.00 73.34 H new ATOM 509 N PHE A 33 12.202 7.713 -1.146 1.00 42.11 N ATOM 510 CA PHE A 33 11.622 8.707 -2.046 1.00 44.40 C ATOM 511 C PHE A 33 10.276 9.192 -1.495 1.00 44.21 C ATOM 512 O PHE A 33 9.998 8.993 -0.300 1.00 34.00 O ATOM 513 CB PHE A 33 11.451 8.109 -3.454 1.00 15.42 C ATOM 514 CG PHE A 33 12.749 7.730 -4.117 1.00 23.51 C ATOM 515 CD1 PHE A 33 13.537 8.691 -4.732 1.00 63.04 C ATOM 516 CD2 PHE A 33 13.185 6.418 -4.117 1.00 12.53 C ATOM 517 CE1 PHE A 33 14.728 8.345 -5.338 1.00 71.01 C ATOM 518 CE2 PHE A 33 14.375 6.067 -4.720 1.00 71.12 C ATOM 519 CZ PHE A 33 15.149 7.031 -5.328 1.00 22.54 C ATOM 0 H PHE A 33 11.708 6.820 -1.149 1.00 42.11 H new ATOM 0 HA PHE A 33 12.295 9.562 -2.115 1.00 44.40 H new ATOM 0 HB2 PHE A 33 10.816 7.225 -3.388 1.00 15.42 H new ATOM 0 HB3 PHE A 33 10.930 8.830 -4.084 1.00 15.42 H new ATOM 0 HD1 PHE A 33 13.215 9.722 -4.737 1.00 63.04 H new ATOM 0 HD2 PHE A 33 12.586 5.658 -3.638 1.00 12.53 H new ATOM 0 HE1 PHE A 33 15.330 9.102 -5.819 1.00 71.01 H new ATOM 0 HE2 PHE A 33 14.700 5.037 -4.715 1.00 71.12 H new ATOM 0 HZ PHE A 33 16.084 6.759 -5.796 1.00 22.54 H new ATOM 529 N MET A 34 9.475 9.850 -2.371 1.00 15.53 N ATOM 530 CA MET A 34 8.128 10.392 -2.054 1.00 22.34 C ATOM 531 C MET A 34 8.200 11.534 -1.030 1.00 23.33 C ATOM 532 O MET A 34 9.276 12.071 -0.743 1.00 30.44 O ATOM 533 CB MET A 34 7.166 9.295 -1.545 1.00 2.35 C ATOM 534 CG MET A 34 6.785 8.254 -2.583 1.00 2.31 C ATOM 535 SD MET A 34 5.479 7.142 -2.008 1.00 51.54 S ATOM 536 CE MET A 34 6.281 6.298 -0.649 1.00 44.02 C ATOM 0 H MET A 34 9.753 10.022 -3.337 1.00 15.53 H new ATOM 0 HA MET A 34 7.733 10.787 -2.990 1.00 22.34 H new ATOM 0 HB2 MET A 34 7.628 8.790 -0.697 1.00 2.35 H new ATOM 0 HB3 MET A 34 6.257 9.770 -1.176 1.00 2.35 H new ATOM 0 HG2 MET A 34 6.455 8.757 -3.492 1.00 2.31 H new ATOM 0 HG3 MET A 34 7.666 7.668 -2.845 1.00 2.31 H new ATOM 0 HE1 MET A 34 6.134 5.223 -0.751 1.00 44.02 H new ATOM 0 HE2 MET A 34 7.348 6.521 -0.661 1.00 44.02 H new ATOM 0 HE3 MET A 34 5.851 6.636 0.294 1.00 44.02 H new ATOM 546 N ASP A 35 7.032 11.939 -0.530 1.00 73.32 N ATOM 547 CA ASP A 35 6.942 12.818 0.637 1.00 44.30 C ATOM 548 C ASP A 35 7.227 12.022 1.901 1.00 14.23 C ATOM 549 O ASP A 35 7.157 10.796 1.885 1.00 72.42 O ATOM 550 CB ASP A 35 5.537 13.431 0.763 1.00 72.04 C ATOM 551 CG ASP A 35 5.210 14.452 -0.302 1.00 60.21 C ATOM 552 OD1 ASP A 35 4.711 14.062 -1.377 1.00 23.12 O ATOM 553 OD2 ASP A 35 5.421 15.652 -0.058 1.00 62.42 O ATOM 0 H ASP A 35 6.128 11.670 -0.919 1.00 73.32 H new ATOM 0 HA ASP A 35 7.673 13.616 0.510 1.00 44.30 H new ATOM 0 HB2 ASP A 35 4.798 12.630 0.722 1.00 72.04 H new ATOM 0 HB3 ASP A 35 5.444 13.901 1.742 1.00 72.04 H new ATOM 558 N GLU A 36 7.522 12.708 3.000 1.00 55.14 N ATOM 559 CA GLU A 36 7.611 12.052 4.301 1.00 44.23 C ATOM 560 C GLU A 36 6.200 11.705 4.805 1.00 35.42 C ATOM 561 O GLU A 36 6.018 10.759 5.564 1.00 73.02 O ATOM 562 CB GLU A 36 8.356 12.945 5.293 1.00 44.03 C ATOM 563 CG GLU A 36 8.805 12.225 6.560 1.00 52.21 C ATOM 564 CD GLU A 36 9.692 13.077 7.442 1.00 34.03 C ATOM 565 OE1 GLU A 36 9.166 13.953 8.156 1.00 50.34 O ATOM 566 OE2 GLU A 36 10.920 12.863 7.438 1.00 2.43 O ATOM 0 H GLU A 36 7.703 13.712 3.017 1.00 55.14 H new ATOM 0 HA GLU A 36 8.175 11.124 4.203 1.00 44.23 H new ATOM 0 HB2 GLU A 36 9.230 13.369 4.799 1.00 44.03 H new ATOM 0 HB3 GLU A 36 7.711 13.779 5.570 1.00 44.03 H new ATOM 0 HG2 GLU A 36 7.926 11.917 7.127 1.00 52.21 H new ATOM 0 HG3 GLU A 36 9.341 11.317 6.285 1.00 52.21 H new ATOM 573 N ASP A 37 5.205 12.458 4.315 1.00 34.40 N ATOM 574 CA ASP A 37 3.785 12.177 4.563 1.00 22.13 C ATOM 575 C ASP A 37 3.375 10.864 3.900 1.00 13.30 C ATOM 576 O ASP A 37 2.710 10.035 4.507 1.00 45.51 O ATOM 577 CB ASP A 37 2.907 13.296 3.989 1.00 22.15 C ATOM 578 CG ASP A 37 3.270 14.670 4.505 1.00 73.51 C ATOM 579 OD1 ASP A 37 4.132 15.328 3.890 1.00 51.42 O ATOM 580 OD2 ASP A 37 2.694 15.102 5.524 1.00 41.45 O ATOM 0 H ASP A 37 5.364 13.281 3.734 1.00 34.40 H new ATOM 0 HA ASP A 37 3.646 12.110 5.642 1.00 22.13 H new ATOM 0 HB2 ASP A 37 2.990 13.291 2.902 1.00 22.15 H new ATOM 0 HB3 ASP A 37 1.864 13.089 4.230 1.00 22.15 H new ATOM 585 N MET A 38 3.820 10.688 2.651 1.00 22.43 N ATOM 586 CA MET A 38 3.512 9.503 1.844 1.00 13.55 C ATOM 587 C MET A 38 4.345 8.292 2.294 1.00 23.22 C ATOM 588 O MET A 38 3.957 7.155 2.080 1.00 63.35 O ATOM 589 CB MET A 38 3.778 9.804 0.368 1.00 52.44 C ATOM 590 CG MET A 38 2.791 9.151 -0.586 1.00 22.44 C ATOM 591 SD MET A 38 1.143 9.874 -0.474 1.00 0.43 S ATOM 592 CE MET A 38 0.291 9.014 -1.795 1.00 24.55 C ATOM 0 H MET A 38 4.408 11.368 2.169 1.00 22.43 H new ATOM 0 HA MET A 38 2.459 9.256 1.983 1.00 13.55 H new ATOM 0 HB2 MET A 38 3.752 10.883 0.218 1.00 52.44 H new ATOM 0 HB3 MET A 38 4.785 9.471 0.116 1.00 52.44 H new ATOM 0 HG2 MET A 38 3.159 9.249 -1.607 1.00 22.44 H new ATOM 0 HG3 MET A 38 2.732 8.084 -0.369 1.00 22.44 H new ATOM 0 HE1 MET A 38 -0.024 9.732 -2.552 1.00 24.55 H new ATOM 0 HE2 MET A 38 0.962 8.282 -2.245 1.00 24.55 H new ATOM 0 HE3 MET A 38 -0.584 8.504 -1.392 1.00 24.55 H new ATOM 602 N ARG A 39 5.505 8.572 2.886 1.00 54.32 N ATOM 603 CA ARG A 39 6.420 7.564 3.446 1.00 13.42 C ATOM 604 C ARG A 39 5.844 6.931 4.719 1.00 72.31 C ATOM 605 O ARG A 39 5.895 5.712 4.897 1.00 0.20 O ATOM 606 CB ARG A 39 7.741 8.266 3.747 1.00 74.34 C ATOM 607 CG ARG A 39 8.859 7.404 4.296 1.00 70.24 C ATOM 608 CD ARG A 39 10.116 8.240 4.490 1.00 13.22 C ATOM 609 NE ARG A 39 10.549 8.853 3.228 1.00 4.33 N ATOM 610 CZ ARG A 39 11.500 9.776 3.109 1.00 43.24 C ATOM 611 NH1 ARG A 39 12.130 10.253 4.177 1.00 45.43 N ATOM 612 NH2 ARG A 39 11.822 10.218 1.902 1.00 53.41 N ATOM 0 H ARG A 39 5.848 9.527 2.995 1.00 54.32 H new ATOM 0 HA ARG A 39 6.565 6.754 2.731 1.00 13.42 H new ATOM 0 HB2 ARG A 39 8.093 8.736 2.829 1.00 74.34 H new ATOM 0 HB3 ARG A 39 7.546 9.066 4.461 1.00 74.34 H new ATOM 0 HG2 ARG A 39 8.556 6.963 5.246 1.00 70.24 H new ATOM 0 HG3 ARG A 39 9.063 6.580 3.612 1.00 70.24 H new ATOM 0 HD2 ARG A 39 9.927 9.019 5.229 1.00 13.22 H new ATOM 0 HD3 ARG A 39 10.915 7.613 4.885 1.00 13.22 H new ATOM 0 HE ARG A 39 10.083 8.547 2.374 1.00 4.33 H new ATOM 0 HH11 ARG A 39 11.887 9.912 5.107 1.00 45.43 H new ATOM 0 HH12 ARG A 39 12.857 10.960 4.067 1.00 45.43 H new ATOM 0 HH21 ARG A 39 11.343 9.851 1.080 1.00 53.41 H new ATOM 0 HH22 ARG A 39 12.549 10.925 1.795 1.00 53.41 H new ATOM 626 N GLU A 40 5.301 7.773 5.600 1.00 73.13 N ATOM 627 CA GLU A 40 4.598 7.313 6.799 1.00 32.34 C ATOM 628 C GLU A 40 3.284 6.621 6.448 1.00 32.25 C ATOM 629 O GLU A 40 2.884 5.666 7.112 1.00 32.42 O ATOM 630 CB GLU A 40 4.333 8.491 7.733 1.00 21.10 C ATOM 631 CG GLU A 40 5.580 9.035 8.411 1.00 74.21 C ATOM 632 CD GLU A 40 6.185 8.052 9.390 1.00 41.21 C ATOM 633 OE1 GLU A 40 5.689 7.958 10.528 1.00 71.34 O ATOM 634 OE2 GLU A 40 7.161 7.369 9.028 1.00 23.44 O ATOM 0 H GLU A 40 5.336 8.788 5.504 1.00 73.13 H new ATOM 0 HA GLU A 40 5.236 6.586 7.302 1.00 32.34 H new ATOM 0 HB2 GLU A 40 3.862 9.293 7.165 1.00 21.10 H new ATOM 0 HB3 GLU A 40 3.621 8.182 8.498 1.00 21.10 H new ATOM 0 HG2 GLU A 40 6.320 9.289 7.652 1.00 74.21 H new ATOM 0 HG3 GLU A 40 5.331 9.958 8.935 1.00 74.21 H new ATOM 641 N LEU A 41 2.648 7.100 5.376 1.00 64.24 N ATOM 642 CA LEU A 41 1.425 6.504 4.841 1.00 62.02 C ATOM 643 C LEU A 41 1.704 5.107 4.287 1.00 63.10 C ATOM 644 O LEU A 41 0.910 4.206 4.481 1.00 62.33 O ATOM 645 CB LEU A 41 0.864 7.398 3.725 1.00 22.23 C ATOM 646 CG LEU A 41 -0.552 7.072 3.246 1.00 12.22 C ATOM 647 CD1 LEU A 41 -1.582 7.456 4.292 1.00 24.01 C ATOM 648 CD2 LEU A 41 -0.846 7.777 1.933 1.00 5.05 C ATOM 0 H LEU A 41 2.969 7.915 4.854 1.00 64.24 H new ATOM 0 HA LEU A 41 0.696 6.420 5.647 1.00 62.02 H new ATOM 0 HB2 LEU A 41 0.879 8.431 4.073 1.00 22.23 H new ATOM 0 HB3 LEU A 41 1.537 7.341 2.869 1.00 22.23 H new ATOM 0 HG LEU A 41 -0.614 5.996 3.086 1.00 12.22 H new ATOM 0 HD11 LEU A 41 -2.580 7.214 3.926 1.00 24.01 H new ATOM 0 HD12 LEU A 41 -1.389 6.905 5.212 1.00 24.01 H new ATOM 0 HD13 LEU A 41 -1.518 8.526 4.490 1.00 24.01 H new ATOM 0 HD21 LEU A 41 -1.857 7.533 1.608 1.00 5.05 H new ATOM 0 HD22 LEU A 41 -0.759 8.855 2.071 1.00 5.05 H new ATOM 0 HD23 LEU A 41 -0.133 7.449 1.177 1.00 5.05 H new ATOM 660 N ALA A 42 2.875 4.945 3.655 1.00 25.43 N ATOM 661 CA ALA A 42 3.276 3.702 2.986 1.00 3.44 C ATOM 662 C ALA A 42 3.353 2.506 3.921 1.00 44.14 C ATOM 663 O ALA A 42 2.989 1.405 3.541 1.00 23.40 O ATOM 664 CB ALA A 42 4.611 3.897 2.295 1.00 52.40 C ATOM 0 H ALA A 42 3.577 5.682 3.594 1.00 25.43 H new ATOM 0 HA ALA A 42 2.497 3.478 2.258 1.00 3.44 H new ATOM 0 HB1 ALA A 42 4.903 2.971 1.800 1.00 52.40 H new ATOM 0 HB2 ALA A 42 4.525 4.692 1.555 1.00 52.40 H new ATOM 0 HB3 ALA A 42 5.366 4.168 3.033 1.00 52.40 H new ATOM 670 N LYS A 43 3.819 2.734 5.141 1.00 60.51 N ATOM 671 CA LYS A 43 3.959 1.670 6.129 1.00 42.43 C ATOM 672 C LYS A 43 2.615 1.320 6.778 1.00 24.12 C ATOM 673 O LYS A 43 2.404 0.182 7.194 1.00 40.03 O ATOM 674 CB LYS A 43 5.006 2.064 7.164 1.00 54.41 C ATOM 675 CG LYS A 43 6.391 2.230 6.545 1.00 12.44 C ATOM 676 CD LYS A 43 7.427 2.728 7.538 1.00 63.23 C ATOM 677 CE LYS A 43 7.166 4.160 7.959 1.00 22.24 C ATOM 678 NZ LYS A 43 8.265 4.691 8.796 1.00 20.04 N ATOM 0 H LYS A 43 4.109 3.654 5.473 1.00 60.51 H new ATOM 0 HA LYS A 43 4.299 0.766 5.623 1.00 42.43 H new ATOM 0 HB2 LYS A 43 4.709 2.997 7.642 1.00 54.41 H new ATOM 0 HB3 LYS A 43 5.047 1.305 7.945 1.00 54.41 H new ATOM 0 HG2 LYS A 43 6.717 1.274 6.136 1.00 12.44 H new ATOM 0 HG3 LYS A 43 6.329 2.929 5.711 1.00 12.44 H new ATOM 0 HD2 LYS A 43 7.424 2.085 8.418 1.00 63.23 H new ATOM 0 HD3 LYS A 43 8.420 2.656 7.093 1.00 63.23 H new ATOM 0 HE2 LYS A 43 7.048 4.784 7.073 1.00 22.24 H new ATOM 0 HE3 LYS A 43 6.229 4.212 8.513 1.00 22.24 H new ATOM 0 HZ1 LYS A 43 8.069 5.683 9.038 1.00 20.04 H new ATOM 0 HZ2 LYS A 43 8.339 4.130 9.669 1.00 20.04 H new ATOM 0 HZ3 LYS A 43 9.161 4.633 8.271 1.00 20.04 H new ATOM 692 N ARG A 44 1.702 2.299 6.828 1.00 64.10 N ATOM 693 CA ARG A 44 0.321 2.072 7.281 1.00 33.43 C ATOM 694 C ARG A 44 -0.463 1.236 6.266 1.00 21.12 C ATOM 695 O ARG A 44 -1.288 0.408 6.645 1.00 4.02 O ATOM 696 CB ARG A 44 -0.413 3.401 7.513 1.00 51.51 C ATOM 697 CG ARG A 44 -0.445 3.897 8.961 1.00 65.21 C ATOM 698 CD ARG A 44 0.897 4.424 9.462 1.00 2.51 C ATOM 699 NE ARG A 44 1.808 3.354 9.887 1.00 4.23 N ATOM 700 CZ ARG A 44 3.109 3.512 10.138 1.00 61.23 C ATOM 701 NH1 ARG A 44 3.708 4.683 9.967 1.00 75.45 N ATOM 702 NH2 ARG A 44 3.813 2.474 10.551 1.00 43.13 N ATOM 0 H ARG A 44 1.896 3.263 6.558 1.00 64.10 H new ATOM 0 HA ARG A 44 0.380 1.528 8.223 1.00 33.43 H new ATOM 0 HB2 ARG A 44 0.057 4.167 6.896 1.00 51.51 H new ATOM 0 HB3 ARG A 44 -1.439 3.294 7.162 1.00 51.51 H new ATOM 0 HG2 ARG A 44 -1.190 4.688 9.048 1.00 65.21 H new ATOM 0 HG3 ARG A 44 -0.769 3.081 9.607 1.00 65.21 H new ATOM 0 HD2 ARG A 44 1.371 5.006 8.671 1.00 2.51 H new ATOM 0 HD3 ARG A 44 0.726 5.102 10.298 1.00 2.51 H new ATOM 0 HE ARG A 44 1.417 2.419 9.999 1.00 4.23 H new ATOM 0 HH11 ARG A 44 3.173 5.486 9.637 1.00 75.45 H new ATOM 0 HH12 ARG A 44 4.704 4.780 10.165 1.00 75.45 H new ATOM 0 HH21 ARG A 44 3.361 1.568 10.674 1.00 43.13 H new ATOM 0 HH22 ARG A 44 4.809 2.578 10.747 1.00 43.13 H new ATOM 716 N THR A 45 -0.194 1.453 4.982 1.00 71.13 N ATOM 717 CA THR A 45 -0.848 0.706 3.920 1.00 12.12 C ATOM 718 C THR A 45 -0.189 -0.669 3.706 1.00 32.43 C ATOM 719 O THR A 45 -0.820 -1.602 3.210 1.00 25.52 O ATOM 720 CB THR A 45 -0.882 1.500 2.604 1.00 21.31 C ATOM 721 OG1 THR A 45 -1.068 2.892 2.871 1.00 71.21 O ATOM 722 CG2 THR A 45 -2.042 1.029 1.767 1.00 11.21 C ATOM 0 H THR A 45 0.478 2.146 4.653 1.00 71.13 H new ATOM 0 HA THR A 45 -1.877 0.541 4.238 1.00 12.12 H new ATOM 0 HB THR A 45 0.062 1.345 2.081 1.00 21.31 H new ATOM 0 HG1 THR A 45 -0.259 3.256 3.288 1.00 71.21 H new ATOM 0 HG21 THR A 45 -2.068 1.590 0.833 1.00 11.21 H new ATOM 0 HG22 THR A 45 -1.926 -0.033 1.549 1.00 11.21 H new ATOM 0 HG23 THR A 45 -2.972 1.188 2.312 1.00 11.21 H new ATOM 730 N LEU A 46 1.090 -0.794 4.069 1.00 73.32 N ATOM 731 CA LEU A 46 1.748 -2.102 4.148 1.00 72.44 C ATOM 732 C LEU A 46 1.156 -2.964 5.265 1.00 52.32 C ATOM 733 O LEU A 46 1.185 -4.185 5.177 1.00 3.42 O ATOM 734 CB LEU A 46 3.270 -1.973 4.311 1.00 64.31 C ATOM 735 CG LEU A 46 4.034 -1.583 3.037 1.00 24.10 C ATOM 736 CD1 LEU A 46 5.530 -1.548 3.301 1.00 34.34 C ATOM 737 CD2 LEU A 46 3.723 -2.549 1.901 1.00 44.42 C ATOM 0 H LEU A 46 1.691 -0.007 4.313 1.00 73.32 H new ATOM 0 HA LEU A 46 1.560 -2.603 3.198 1.00 72.44 H new ATOM 0 HB2 LEU A 46 3.475 -1.229 5.080 1.00 64.31 H new ATOM 0 HB3 LEU A 46 3.662 -2.923 4.674 1.00 64.31 H new ATOM 0 HG LEU A 46 3.708 -0.586 2.740 1.00 24.10 H new ATOM 0 HD11 LEU A 46 6.054 -1.270 2.387 1.00 34.34 H new ATOM 0 HD12 LEU A 46 5.745 -0.816 4.080 1.00 34.34 H new ATOM 0 HD13 LEU A 46 5.865 -2.533 3.626 1.00 34.34 H new ATOM 0 HD21 LEU A 46 4.276 -2.252 1.010 1.00 44.42 H new ATOM 0 HD22 LEU A 46 4.016 -3.558 2.191 1.00 44.42 H new ATOM 0 HD23 LEU A 46 2.654 -2.529 1.689 1.00 44.42 H new ATOM 749 N ALA A 47 0.612 -2.316 6.308 1.00 60.54 N ATOM 750 CA ALA A 47 -0.126 -3.007 7.375 1.00 72.21 C ATOM 751 C ALA A 47 -1.467 -3.583 6.881 1.00 4.14 C ATOM 752 O ALA A 47 -2.048 -4.446 7.540 1.00 75.04 O ATOM 753 CB ALA A 47 -0.357 -2.077 8.555 1.00 51.14 C ATOM 0 H ALA A 47 0.671 -1.306 6.434 1.00 60.54 H new ATOM 0 HA ALA A 47 0.491 -3.847 7.695 1.00 72.21 H new ATOM 0 HB1 ALA A 47 -0.905 -2.607 9.334 1.00 51.14 H new ATOM 0 HB2 ALA A 47 0.603 -1.744 8.949 1.00 51.14 H new ATOM 0 HB3 ALA A 47 -0.935 -1.212 8.229 1.00 51.14 H new ATOM 759 N LYS A 48 -1.959 -3.090 5.734 1.00 62.31 N ATOM 760 CA LYS A 48 -3.105 -3.699 5.068 1.00 75.22 C ATOM 761 C LYS A 48 -2.711 -5.051 4.479 1.00 3.14 C ATOM 762 O LYS A 48 -3.290 -6.072 4.826 1.00 54.22 O ATOM 763 CB LYS A 48 -3.635 -2.799 3.931 1.00 64.23 C ATOM 764 CG LYS A 48 -4.707 -3.464 3.064 1.00 62.41 C ATOM 765 CD LYS A 48 -4.864 -2.803 1.709 1.00 71.11 C ATOM 766 CE LYS A 48 -6.028 -3.412 0.935 1.00 55.14 C ATOM 767 NZ LYS A 48 -6.317 -2.667 -0.321 1.00 53.35 N ATOM 0 H LYS A 48 -1.578 -2.274 5.255 1.00 62.31 H new ATOM 0 HA LYS A 48 -3.890 -3.827 5.814 1.00 75.22 H new ATOM 0 HB2 LYS A 48 -4.046 -1.887 4.364 1.00 64.23 H new ATOM 0 HB3 LYS A 48 -2.800 -2.503 3.296 1.00 64.23 H new ATOM 0 HG2 LYS A 48 -4.453 -4.514 2.923 1.00 62.41 H new ATOM 0 HG3 LYS A 48 -5.662 -3.435 3.589 1.00 62.41 H new ATOM 0 HD2 LYS A 48 -5.029 -1.733 1.839 1.00 71.11 H new ATOM 0 HD3 LYS A 48 -3.943 -2.916 1.137 1.00 71.11 H new ATOM 0 HE2 LYS A 48 -5.799 -4.450 0.695 1.00 55.14 H new ATOM 0 HE3 LYS A 48 -6.918 -3.418 1.565 1.00 55.14 H new ATOM 0 HZ1 LYS A 48 -7.291 -2.304 -0.293 1.00 53.35 H new ATOM 0 HZ2 LYS A 48 -5.654 -1.871 -0.413 1.00 53.35 H new ATOM 0 HZ3 LYS A 48 -6.208 -3.304 -1.136 1.00 53.35 H new ATOM 781 N ILE A 49 -1.685 -5.040 3.627 1.00 64.33 N ATOM 782 CA ILE A 49 -1.425 -6.155 2.723 1.00 73.11 C ATOM 783 C ILE A 49 -0.590 -7.268 3.374 1.00 4.23 C ATOM 784 O ILE A 49 -0.614 -8.397 2.899 1.00 23.22 O ATOM 785 CB ILE A 49 -0.729 -5.694 1.410 1.00 63.41 C ATOM 786 CG1 ILE A 49 -1.122 -4.258 1.024 1.00 60.33 C ATOM 787 CG2 ILE A 49 -1.114 -6.630 0.279 1.00 53.35 C ATOM 788 CD1 ILE A 49 -0.315 -3.695 -0.127 1.00 60.44 C ATOM 0 H ILE A 49 -1.022 -4.270 3.546 1.00 64.33 H new ATOM 0 HA ILE A 49 -2.407 -6.561 2.482 1.00 73.11 H new ATOM 0 HB ILE A 49 0.347 -5.717 1.581 1.00 63.41 H new ATOM 0 HG12 ILE A 49 -2.179 -4.239 0.759 1.00 60.33 H new ATOM 0 HG13 ILE A 49 -1.000 -3.611 1.893 1.00 60.33 H new ATOM 0 HG21 ILE A 49 -0.627 -6.308 -0.641 1.00 53.35 H new ATOM 0 HG22 ILE A 49 -0.797 -7.644 0.522 1.00 53.35 H new ATOM 0 HG23 ILE A 49 -2.195 -6.611 0.143 1.00 53.35 H new ATOM 0 HD11 ILE A 49 -0.648 -2.680 -0.343 1.00 60.44 H new ATOM 0 HD12 ILE A 49 0.741 -3.681 0.142 1.00 60.44 H new ATOM 0 HD13 ILE A 49 -0.457 -4.318 -1.010 1.00 60.44 H new ATOM 800 N ALA A 50 0.135 -6.956 4.460 1.00 2.22 N ATOM 801 CA ALA A 50 0.966 -7.953 5.166 1.00 72.43 C ATOM 802 C ALA A 50 0.172 -9.179 5.705 1.00 11.32 C ATOM 803 O ALA A 50 0.603 -10.305 5.451 1.00 10.23 O ATOM 804 CB ALA A 50 1.793 -7.293 6.272 1.00 1.33 C ATOM 0 H ALA A 50 0.165 -6.023 4.871 1.00 2.22 H new ATOM 0 HA ALA A 50 1.643 -8.358 4.414 1.00 72.43 H new ATOM 0 HB1 ALA A 50 2.396 -8.049 6.776 1.00 1.33 H new ATOM 0 HB2 ALA A 50 2.448 -6.539 5.836 1.00 1.33 H new ATOM 0 HB3 ALA A 50 1.126 -6.821 6.993 1.00 1.33 H new ATOM 810 N PRO A 51 -0.987 -9.024 6.433 1.00 11.11 N ATOM 811 CA PRO A 51 -1.820 -10.185 6.800 1.00 52.51 C ATOM 812 C PRO A 51 -2.713 -10.710 5.654 1.00 55.14 C ATOM 813 O PRO A 51 -3.391 -11.730 5.817 1.00 64.05 O ATOM 814 CB PRO A 51 -2.672 -9.658 7.952 1.00 52.04 C ATOM 815 CG PRO A 51 -2.814 -8.206 7.681 1.00 61.33 C ATOM 816 CD PRO A 51 -1.534 -7.776 7.028 1.00 50.12 C ATOM 0 HA PRO A 51 -1.200 -11.044 7.056 1.00 52.51 H new ATOM 0 HB2 PRO A 51 -3.643 -10.152 7.984 1.00 52.04 H new ATOM 0 HB3 PRO A 51 -2.191 -9.836 8.914 1.00 52.04 H new ATOM 0 HG2 PRO A 51 -3.667 -8.013 7.031 1.00 61.33 H new ATOM 0 HG3 PRO A 51 -2.985 -7.652 8.604 1.00 61.33 H new ATOM 0 HD2 PRO A 51 -1.712 -7.017 6.266 1.00 50.12 H new ATOM 0 HD3 PRO A 51 -0.843 -7.345 7.753 1.00 50.12 H new ATOM 824 N LEU A 52 -2.709 -10.024 4.504 1.00 30.20 N ATOM 825 CA LEU A 52 -3.465 -10.474 3.336 1.00 43.43 C ATOM 826 C LEU A 52 -2.634 -11.469 2.550 1.00 74.44 C ATOM 827 O LEU A 52 -1.462 -11.224 2.279 1.00 41.33 O ATOM 828 CB LEU A 52 -3.862 -9.309 2.419 1.00 53.12 C ATOM 829 CG LEU A 52 -4.702 -8.201 3.056 1.00 15.01 C ATOM 830 CD1 LEU A 52 -5.052 -7.149 2.021 1.00 11.35 C ATOM 831 CD2 LEU A 52 -5.962 -8.756 3.689 1.00 64.02 C ATOM 0 H LEU A 52 -2.191 -9.157 4.361 1.00 30.20 H new ATOM 0 HA LEU A 52 -4.382 -10.941 3.697 1.00 43.43 H new ATOM 0 HB2 LEU A 52 -2.951 -8.862 2.020 1.00 53.12 H new ATOM 0 HB3 LEU A 52 -4.416 -9.714 1.572 1.00 53.12 H new ATOM 0 HG LEU A 52 -4.108 -7.741 3.845 1.00 15.01 H new ATOM 0 HD11 LEU A 52 -5.650 -6.366 2.486 1.00 11.35 H new ATOM 0 HD12 LEU A 52 -4.136 -6.716 1.619 1.00 11.35 H new ATOM 0 HD13 LEU A 52 -5.621 -7.609 1.213 1.00 11.35 H new ATOM 0 HD21 LEU A 52 -6.535 -7.942 4.132 1.00 64.02 H new ATOM 0 HD22 LEU A 52 -6.564 -9.251 2.927 1.00 64.02 H new ATOM 0 HD23 LEU A 52 -5.694 -9.475 4.463 1.00 64.02 H new ATOM 843 N THR A 53 -3.250 -12.572 2.167 1.00 63.20 N ATOM 844 CA THR A 53 -2.537 -13.687 1.540 1.00 51.52 C ATOM 845 C THR A 53 -2.458 -13.556 -0.017 1.00 3.22 C ATOM 846 O THR A 53 -2.298 -14.555 -0.729 1.00 63.50 O ATOM 847 CB THR A 53 -3.176 -15.032 2.019 1.00 61.13 C ATOM 848 OG1 THR A 53 -2.414 -16.165 1.587 1.00 73.32 O ATOM 849 CG2 THR A 53 -4.621 -15.186 1.557 1.00 71.32 C ATOM 0 H THR A 53 -4.252 -12.727 2.277 1.00 63.20 H new ATOM 0 HA THR A 53 -1.496 -13.669 1.862 1.00 51.52 H new ATOM 0 HB THR A 53 -3.168 -14.993 3.108 1.00 61.13 H new ATOM 0 HG1 THR A 53 -2.112 -16.024 0.666 1.00 73.32 H new ATOM 0 HG21 THR A 53 -5.018 -16.136 1.915 1.00 71.32 H new ATOM 0 HG22 THR A 53 -5.220 -14.368 1.957 1.00 71.32 H new ATOM 0 HG23 THR A 53 -4.659 -15.165 0.468 1.00 71.32 H new ATOM 857 N GLU A 54 -2.557 -12.292 -0.516 1.00 2.32 N ATOM 858 CA GLU A 54 -2.381 -11.890 -1.947 1.00 54.23 C ATOM 859 C GLU A 54 -3.601 -12.235 -2.815 1.00 55.01 C ATOM 860 O GLU A 54 -4.087 -11.386 -3.554 1.00 13.40 O ATOM 861 CB GLU A 54 -1.083 -12.444 -2.570 1.00 0.01 C ATOM 862 CG GLU A 54 -0.833 -11.977 -4.003 1.00 64.02 C ATOM 863 CD GLU A 54 0.497 -12.430 -4.557 1.00 63.43 C ATOM 864 OE1 GLU A 54 0.570 -13.542 -5.104 1.00 41.25 O ATOM 865 OE2 GLU A 54 1.480 -11.675 -4.437 1.00 61.20 O ATOM 0 H GLU A 54 -2.769 -11.496 0.085 1.00 2.32 H new ATOM 0 HA GLU A 54 -2.292 -10.804 -1.931 1.00 54.23 H new ATOM 0 HB2 GLU A 54 -0.238 -12.146 -1.949 1.00 0.01 H new ATOM 0 HB3 GLU A 54 -1.121 -13.533 -2.555 1.00 0.01 H new ATOM 0 HG2 GLU A 54 -1.632 -12.351 -4.644 1.00 64.02 H new ATOM 0 HG3 GLU A 54 -0.881 -10.889 -4.036 1.00 64.02 H new ATOM 872 N ASN A 55 -4.088 -13.473 -2.706 1.00 23.23 N ATOM 873 CA ASN A 55 -5.357 -13.895 -3.309 1.00 13.22 C ATOM 874 C ASN A 55 -6.517 -13.126 -2.662 1.00 20.33 C ATOM 875 O ASN A 55 -7.472 -12.725 -3.321 1.00 21.34 O ATOM 876 CB ASN A 55 -5.572 -15.404 -3.098 1.00 4.14 C ATOM 877 CG ASN A 55 -4.455 -16.274 -3.661 1.00 70.15 C ATOM 878 OD1 ASN A 55 -4.475 -16.651 -4.828 1.00 25.14 O ATOM 879 ND2 ASN A 55 -3.493 -16.637 -2.824 1.00 13.43 N ATOM 0 H ASN A 55 -3.612 -14.216 -2.195 1.00 23.23 H new ATOM 0 HA ASN A 55 -5.323 -13.683 -4.378 1.00 13.22 H new ATOM 0 HB2 ASN A 55 -5.669 -15.601 -2.030 1.00 4.14 H new ATOM 0 HB3 ASN A 55 -6.514 -15.695 -3.563 1.00 4.14 H new ATOM 0 HD21 ASN A 55 -2.741 -17.247 -3.145 1.00 13.43 H new ATOM 0 HD22 ASN A 55 -3.505 -16.306 -1.859 1.00 13.43 H new ATOM 886 N GLU A 56 -6.370 -12.905 -1.357 1.00 50.23 N ATOM 887 CA GLU A 56 -7.281 -12.108 -0.545 1.00 65.50 C ATOM 888 C GLU A 56 -7.206 -10.613 -0.921 1.00 31.13 C ATOM 889 O GLU A 56 -8.222 -9.915 -0.929 1.00 12.21 O ATOM 890 CB GLU A 56 -6.879 -12.345 0.907 1.00 24.23 C ATOM 891 CG GLU A 56 -7.759 -11.715 1.963 1.00 33.31 C ATOM 892 CD GLU A 56 -7.331 -12.142 3.352 1.00 32.04 C ATOM 893 OE1 GLU A 56 -6.109 -12.273 3.585 1.00 55.12 O ATOM 894 OE2 GLU A 56 -8.200 -12.350 4.219 1.00 10.42 O ATOM 0 H GLU A 56 -5.590 -13.288 -0.822 1.00 50.23 H new ATOM 0 HA GLU A 56 -8.317 -12.403 -0.712 1.00 65.50 H new ATOM 0 HB2 GLU A 56 -6.853 -13.420 1.082 1.00 24.23 H new ATOM 0 HB3 GLU A 56 -5.863 -11.975 1.044 1.00 24.23 H new ATOM 0 HG2 GLU A 56 -7.710 -10.629 1.881 1.00 33.31 H new ATOM 0 HG3 GLU A 56 -8.797 -12.001 1.794 1.00 33.31 H new ATOM 901 N TYR A 57 -6.001 -10.153 -1.279 1.00 52.53 N ATOM 902 CA TYR A 57 -5.774 -8.776 -1.719 1.00 63.21 C ATOM 903 C TYR A 57 -6.350 -8.536 -3.130 1.00 53.32 C ATOM 904 O TYR A 57 -6.702 -7.414 -3.464 1.00 64.41 O ATOM 905 CB TYR A 57 -4.262 -8.451 -1.671 1.00 35.14 C ATOM 906 CG TYR A 57 -3.881 -7.060 -2.166 1.00 13.05 C ATOM 907 CD1 TYR A 57 -4.312 -5.919 -1.500 1.00 74.24 C ATOM 908 CD2 TYR A 57 -3.102 -6.896 -3.308 1.00 51.31 C ATOM 909 CE1 TYR A 57 -3.982 -4.659 -1.957 1.00 51.13 C ATOM 910 CE2 TYR A 57 -2.763 -5.635 -3.767 1.00 34.42 C ATOM 911 CZ TYR A 57 -3.211 -4.520 -3.090 1.00 30.04 C ATOM 912 OH TYR A 57 -2.888 -3.263 -3.542 1.00 3.01 O ATOM 0 H TYR A 57 -5.158 -10.727 -1.271 1.00 52.53 H new ATOM 0 HA TYR A 57 -6.298 -8.104 -1.039 1.00 63.21 H new ATOM 0 HB2 TYR A 57 -3.915 -8.561 -0.643 1.00 35.14 H new ATOM 0 HB3 TYR A 57 -3.729 -9.190 -2.268 1.00 35.14 H new ATOM 0 HD1 TYR A 57 -4.915 -6.020 -0.610 1.00 74.24 H new ATOM 0 HD2 TYR A 57 -2.756 -7.767 -3.845 1.00 51.31 H new ATOM 0 HE1 TYR A 57 -4.328 -3.784 -1.427 1.00 51.13 H new ATOM 0 HE2 TYR A 57 -2.151 -5.525 -4.650 1.00 34.42 H new ATOM 0 HH TYR A 57 -2.940 -3.244 -4.520 1.00 3.01 H new ATOM 922 N ALA A 58 -6.478 -9.600 -3.928 1.00 13.05 N ATOM 923 CA ALA A 58 -6.955 -9.494 -5.312 1.00 63.34 C ATOM 924 C ALA A 58 -8.454 -9.173 -5.404 1.00 13.12 C ATOM 925 O ALA A 58 -8.914 -8.650 -6.418 1.00 15.43 O ATOM 926 CB ALA A 58 -6.643 -10.771 -6.075 1.00 32.50 C ATOM 0 H ALA A 58 -6.256 -10.552 -3.637 1.00 13.05 H new ATOM 0 HA ALA A 58 -6.424 -8.657 -5.766 1.00 63.34 H new ATOM 0 HB1 ALA A 58 -7.002 -10.679 -7.100 1.00 32.50 H new ATOM 0 HB2 ALA A 58 -5.566 -10.937 -6.081 1.00 32.50 H new ATOM 0 HB3 ALA A 58 -7.137 -11.614 -5.592 1.00 32.50 H new ATOM 932 N GLU A 59 -9.212 -9.480 -4.347 1.00 31.40 N ATOM 933 CA GLU A 59 -10.630 -9.112 -4.286 1.00 51.40 C ATOM 934 C GLU A 59 -10.798 -7.634 -3.933 1.00 74.34 C ATOM 935 O GLU A 59 -11.762 -6.991 -4.350 1.00 54.41 O ATOM 936 CB GLU A 59 -11.377 -9.950 -3.249 1.00 72.31 C ATOM 937 CG GLU A 59 -11.375 -11.442 -3.524 1.00 63.25 C ATOM 938 CD GLU A 59 -12.341 -12.179 -2.625 1.00 64.35 C ATOM 939 OE1 GLU A 59 -12.139 -12.176 -1.393 1.00 54.31 O ATOM 940 OE2 GLU A 59 -13.314 -12.753 -3.144 1.00 20.44 O ATOM 0 H GLU A 59 -8.870 -9.980 -3.526 1.00 31.40 H new ATOM 0 HA GLU A 59 -11.049 -9.303 -5.274 1.00 51.40 H new ATOM 0 HB2 GLU A 59 -10.932 -9.774 -2.270 1.00 72.31 H new ATOM 0 HB3 GLU A 59 -12.410 -9.605 -3.197 1.00 72.31 H new ATOM 0 HG2 GLU A 59 -11.640 -11.620 -4.566 1.00 63.25 H new ATOM 0 HG3 GLU A 59 -10.370 -11.837 -3.379 1.00 63.25 H new ATOM 947 N LEU A 60 -9.836 -7.109 -3.181 1.00 74.34 N ATOM 948 CA LEU A 60 -9.904 -5.750 -2.662 1.00 30.41 C ATOM 949 C LEU A 60 -9.301 -4.762 -3.651 1.00 74.43 C ATOM 950 O LEU A 60 -10.027 -3.953 -4.234 1.00 31.40 O ATOM 951 CB LEU A 60 -9.144 -5.664 -1.327 1.00 71.04 C ATOM 952 CG LEU A 60 -9.532 -6.695 -0.266 1.00 40.32 C ATOM 953 CD1 LEU A 60 -8.604 -6.588 0.924 1.00 54.31 C ATOM 954 CD2 LEU A 60 -10.974 -6.514 0.177 1.00 40.22 C ATOM 0 H LEU A 60 -8.990 -7.613 -2.915 1.00 74.34 H new ATOM 0 HA LEU A 60 -10.952 -5.494 -2.507 1.00 30.41 H new ATOM 0 HB2 LEU A 60 -8.078 -5.766 -1.531 1.00 71.04 H new ATOM 0 HB3 LEU A 60 -9.295 -4.668 -0.910 1.00 71.04 H new ATOM 0 HG LEU A 60 -9.438 -7.687 -0.707 1.00 40.32 H new ATOM 0 HD11 LEU A 60 -8.888 -7.326 1.674 1.00 54.31 H new ATOM 0 HD12 LEU A 60 -7.579 -6.772 0.604 1.00 54.31 H new ATOM 0 HD13 LEU A 60 -8.676 -5.588 1.353 1.00 54.31 H new ATOM 0 HD21 LEU A 60 -11.219 -7.262 0.931 1.00 40.22 H new ATOM 0 HD22 LEU A 60 -11.103 -5.517 0.599 1.00 40.22 H new ATOM 0 HD23 LEU A 60 -11.636 -6.633 -0.681 1.00 40.22 H new ATOM 966 N ALA A 61 -7.974 -4.892 -3.833 1.00 32.45 N ATOM 967 CA ALA A 61 -7.133 -4.006 -4.644 1.00 23.44 C ATOM 968 C ALA A 61 -7.374 -2.522 -4.327 1.00 72.44 C ATOM 969 O ALA A 61 -6.965 -2.052 -3.260 1.00 35.34 O ATOM 970 CB ALA A 61 -7.260 -4.326 -6.131 1.00 12.32 C ATOM 0 H ALA A 61 -7.442 -5.647 -3.401 1.00 32.45 H new ATOM 0 HA ALA A 61 -6.096 -4.200 -4.370 1.00 23.44 H new ATOM 0 HB1 ALA A 61 -6.624 -3.651 -6.704 1.00 12.32 H new ATOM 0 HB2 ALA A 61 -6.950 -5.356 -6.309 1.00 12.32 H new ATOM 0 HB3 ALA A 61 -8.297 -4.200 -6.443 1.00 12.32 H new ATOM 976 N ILE A 62 -8.063 -1.801 -5.218 1.00 61.12 N ATOM 977 CA ILE A 62 -8.399 -0.405 -4.981 1.00 51.52 C ATOM 978 C ILE A 62 -9.913 -0.280 -4.883 1.00 72.21 C ATOM 979 O ILE A 62 -10.620 -0.357 -5.890 1.00 1.11 O ATOM 980 CB ILE A 62 -7.884 0.549 -6.095 1.00 34.03 C ATOM 981 CG1 ILE A 62 -6.419 0.269 -6.482 1.00 22.23 C ATOM 982 CG2 ILE A 62 -8.045 2.004 -5.666 1.00 75.01 C ATOM 983 CD1 ILE A 62 -5.415 0.385 -5.354 1.00 61.33 C ATOM 0 H ILE A 62 -8.397 -2.168 -6.109 1.00 61.12 H new ATOM 0 HA ILE A 62 -7.908 -0.106 -4.055 1.00 51.52 H new ATOM 0 HB ILE A 62 -8.493 0.361 -6.980 1.00 34.03 H new ATOM 0 HG12 ILE A 62 -6.357 -0.736 -6.899 1.00 22.23 H new ATOM 0 HG13 ILE A 62 -6.132 0.961 -7.274 1.00 22.23 H new ATOM 0 HG21 ILE A 62 -7.680 2.659 -6.457 1.00 75.01 H new ATOM 0 HG22 ILE A 62 -9.098 2.214 -5.479 1.00 75.01 H new ATOM 0 HG23 ILE A 62 -7.472 2.180 -4.756 1.00 75.01 H new ATOM 0 HD11 ILE A 62 -4.416 0.169 -5.732 1.00 61.33 H new ATOM 0 HD12 ILE A 62 -5.438 1.397 -4.949 1.00 61.33 H new ATOM 0 HD13 ILE A 62 -5.667 -0.327 -4.568 1.00 61.33 H new ATOM 995 N PHE A 63 -10.404 -0.122 -3.667 1.00 13.14 N ATOM 996 CA PHE A 63 -11.836 -0.042 -3.435 1.00 10.30 C ATOM 997 C PHE A 63 -12.272 1.365 -3.009 1.00 34.12 C ATOM 998 O PHE A 63 -13.466 1.624 -2.855 1.00 11.31 O ATOM 999 CB PHE A 63 -12.290 -1.113 -2.414 1.00 34.23 C ATOM 1000 CG PHE A 63 -11.504 -1.178 -1.119 1.00 1.13 C ATOM 1001 CD1 PHE A 63 -11.826 -0.358 -0.048 1.00 13.41 C ATOM 1002 CD2 PHE A 63 -10.467 -2.086 -0.968 1.00 74.01 C ATOM 1003 CE1 PHE A 63 -11.123 -0.431 1.136 1.00 10.42 C ATOM 1004 CE2 PHE A 63 -9.759 -2.161 0.215 1.00 2.24 C ATOM 1005 CZ PHE A 63 -10.092 -1.338 1.270 1.00 72.34 C ATOM 0 H PHE A 63 -9.833 -0.047 -2.825 1.00 13.14 H new ATOM 0 HA PHE A 63 -12.333 -0.250 -4.383 1.00 10.30 H new ATOM 0 HB2 PHE A 63 -13.337 -0.933 -2.171 1.00 34.23 H new ATOM 0 HB3 PHE A 63 -12.238 -2.089 -2.896 1.00 34.23 H new ATOM 0 HD1 PHE A 63 -12.638 0.347 -0.143 1.00 13.41 H new ATOM 0 HD2 PHE A 63 -10.210 -2.743 -1.786 1.00 74.01 H new ATOM 0 HE1 PHE A 63 -11.379 0.221 1.958 1.00 10.42 H new ATOM 0 HE2 PHE A 63 -8.945 -2.864 0.314 1.00 2.24 H new ATOM 0 HZ PHE A 63 -9.547 -1.403 2.200 1.00 72.34 H new ATOM 1015 N ALA A 64 -11.304 2.275 -2.847 1.00 12.54 N ATOM 1016 CA ALA A 64 -11.592 3.632 -2.390 1.00 41.12 C ATOM 1017 C ALA A 64 -10.587 4.641 -2.950 1.00 14.54 C ATOM 1018 O ALA A 64 -9.628 5.019 -2.285 1.00 52.32 O ATOM 1019 CB ALA A 64 -11.613 3.683 -0.866 1.00 3.24 C ATOM 0 H ALA A 64 -10.317 2.093 -3.026 1.00 12.54 H new ATOM 0 HA ALA A 64 -12.577 3.909 -2.766 1.00 41.12 H new ATOM 0 HB1 ALA A 64 -11.829 4.700 -0.539 1.00 3.24 H new ATOM 0 HB2 ALA A 64 -12.383 3.010 -0.490 1.00 3.24 H new ATOM 0 HB3 ALA A 64 -10.642 3.376 -0.478 1.00 3.24 H new ATOM 1025 N ALA A 65 -10.785 5.040 -4.197 1.00 60.02 N ATOM 1026 CA ALA A 65 -9.981 6.104 -4.804 1.00 62.21 C ATOM 1027 C ALA A 65 -10.883 7.126 -5.491 1.00 31.35 C ATOM 1028 O ALA A 65 -10.419 7.993 -6.223 1.00 61.20 O ATOM 1029 CB ALA A 65 -8.979 5.524 -5.792 1.00 65.03 C ATOM 0 H ALA A 65 -11.495 4.646 -4.814 1.00 60.02 H new ATOM 0 HA ALA A 65 -9.426 6.609 -4.014 1.00 62.21 H new ATOM 0 HB1 ALA A 65 -8.392 6.331 -6.231 1.00 65.03 H new ATOM 0 HB2 ALA A 65 -8.315 4.833 -5.273 1.00 65.03 H new ATOM 0 HB3 ALA A 65 -9.512 4.992 -6.580 1.00 65.03 H new