USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 462 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 3 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= 1.3 (180deg=-0.0955) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.19 F(o=-3.5!,f=-2.2) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0543) USER MOD Single : A 22 ASN : amide:sc= 1.06 K(o=1.1,f=-0.68) USER MOD Single : A 29 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.4) USER MOD Single : A 31 SER OG : rot -31:sc= 0.601 USER MOD Single : A 34 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0346 (180deg=-0.228) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -3.59! C(o=-3.6!,f=-4.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0.615 (180deg=-0.954) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 3.237 -3.639 -0.676 1.00 65.51 N ATOM 21 CA GLU A 2 4.191 -3.157 -1.657 1.00 14.54 C ATOM 22 C GLU A 2 3.623 -3.381 -3.058 1.00 73.24 C ATOM 23 O GLU A 2 2.709 -4.187 -3.232 1.00 74.04 O ATOM 24 CB GLU A 2 5.506 -3.926 -1.486 1.00 42.51 C ATOM 25 CG GLU A 2 6.631 -3.449 -2.382 1.00 64.43 C ATOM 26 CD GLU A 2 7.168 -2.094 -1.982 1.00 72.01 C ATOM 27 OE1 GLU A 2 6.564 -1.078 -2.369 1.00 2.21 O ATOM 28 OE2 GLU A 2 8.213 -2.050 -1.289 1.00 21.13 O ATOM 0 HA GLU A 2 4.377 -2.092 -1.517 1.00 14.54 H new ATOM 0 HB2 GLU A 2 5.827 -3.847 -0.447 1.00 42.51 H new ATOM 0 HB3 GLU A 2 5.323 -4.982 -1.684 1.00 42.51 H new ATOM 0 HG2 GLU A 2 7.442 -4.177 -2.357 1.00 64.43 H new ATOM 0 HG3 GLU A 2 6.275 -3.404 -3.411 1.00 64.43 H new ATOM 35 N GLN A 3 4.146 -2.677 -4.050 1.00 1.04 N ATOM 36 CA GLN A 3 3.688 -2.858 -5.420 1.00 32.00 C ATOM 37 C GLN A 3 4.871 -2.899 -6.383 1.00 5.14 C ATOM 38 O GLN A 3 5.893 -2.247 -6.155 1.00 23.32 O ATOM 39 CB GLN A 3 2.720 -1.742 -5.818 1.00 1.12 C ATOM 40 CG GLN A 3 2.040 -1.978 -7.158 1.00 12.32 C ATOM 41 CD GLN A 3 1.100 -0.858 -7.547 1.00 65.51 C ATOM 42 OE1 GLN A 3 1.309 0.298 -7.186 1.00 30.23 O ATOM 43 NE2 GLN A 3 0.062 -1.190 -8.298 1.00 10.32 N ATOM 0 H GLN A 3 4.882 -1.980 -3.935 1.00 1.04 H new ATOM 0 HA GLN A 3 3.161 -3.811 -5.477 1.00 32.00 H new ATOM 0 HB2 GLN A 3 1.958 -1.640 -5.046 1.00 1.12 H new ATOM 0 HB3 GLN A 3 3.263 -0.798 -5.856 1.00 1.12 H new ATOM 0 HG2 GLN A 3 2.801 -2.092 -7.930 1.00 12.32 H new ATOM 0 HG3 GLN A 3 1.484 -2.915 -7.118 1.00 12.32 H new ATOM 0 HE21 GLN A 3 -0.076 -2.161 -8.577 1.00 10.32 H new ATOM 0 HE22 GLN A 3 -0.600 -0.474 -8.598 1.00 10.32 H new ATOM 52 N GLY A 4 4.731 -3.677 -7.450 1.00 34.00 N ATOM 53 CA GLY A 4 5.793 -3.792 -8.424 1.00 5.52 C ATOM 54 C GLY A 4 5.422 -4.692 -9.587 1.00 23.40 C ATOM 55 O GLY A 4 4.251 -4.807 -9.948 1.00 54.14 O ATOM 0 H GLY A 4 3.899 -4.230 -7.656 1.00 34.00 H new ATOM 0 HA2 GLY A 4 6.043 -2.801 -8.802 1.00 5.52 H new ATOM 0 HA3 GLY A 4 6.687 -4.183 -7.937 1.00 5.52 H new ATOM 59 N THR A 5 6.420 -5.335 -10.167 1.00 13.41 N ATOM 60 CA THR A 5 6.231 -6.169 -11.341 1.00 44.31 C ATOM 61 C THR A 5 7.064 -7.447 -11.220 1.00 12.21 C ATOM 62 O THR A 5 8.205 -7.410 -10.756 1.00 44.31 O ATOM 63 CB THR A 5 6.625 -5.391 -12.613 1.00 74.34 C ATOM 64 OG1 THR A 5 5.898 -4.154 -12.658 1.00 24.32 O ATOM 65 CG2 THR A 5 6.338 -6.197 -13.872 1.00 41.25 C ATOM 0 H THR A 5 7.384 -5.294 -9.837 1.00 13.41 H new ATOM 0 HA THR A 5 5.179 -6.445 -11.412 1.00 44.31 H new ATOM 0 HB THR A 5 7.697 -5.197 -12.575 1.00 74.34 H new ATOM 0 HG1 THR A 5 6.148 -3.657 -13.465 1.00 24.32 H new ATOM 0 HG21 THR A 5 6.628 -5.618 -14.749 1.00 41.25 H new ATOM 0 HG22 THR A 5 6.907 -7.126 -13.847 1.00 41.25 H new ATOM 0 HG23 THR A 5 5.273 -6.425 -13.923 1.00 41.25 H new ATOM 73 N VAL A 6 6.485 -8.573 -11.617 1.00 10.51 N ATOM 74 CA VAL A 6 7.154 -9.865 -11.498 1.00 14.20 C ATOM 75 C VAL A 6 8.364 -9.944 -12.429 1.00 51.12 C ATOM 76 O VAL A 6 8.231 -9.777 -13.643 1.00 24.45 O ATOM 77 CB VAL A 6 6.187 -11.026 -11.816 1.00 72.44 C ATOM 78 CG1 VAL A 6 6.879 -12.373 -11.653 1.00 53.43 C ATOM 79 CG2 VAL A 6 4.953 -10.950 -10.931 1.00 22.10 C ATOM 0 H VAL A 6 5.551 -8.619 -12.025 1.00 10.51 H new ATOM 0 HA VAL A 6 7.491 -9.959 -10.466 1.00 14.20 H new ATOM 0 HB VAL A 6 5.874 -10.930 -12.856 1.00 72.44 H new ATOM 0 HG11 VAL A 6 6.176 -13.173 -11.883 1.00 53.43 H new ATOM 0 HG12 VAL A 6 7.729 -12.430 -12.333 1.00 53.43 H new ATOM 0 HG13 VAL A 6 7.228 -12.481 -10.626 1.00 53.43 H new ATOM 0 HG21 VAL A 6 4.283 -11.776 -11.169 1.00 22.10 H new ATOM 0 HG22 VAL A 6 5.251 -11.015 -9.885 1.00 22.10 H new ATOM 0 HG23 VAL A 6 4.439 -10.004 -11.104 1.00 22.10 H new ATOM 89 N LYS A 7 9.537 -10.193 -11.850 1.00 31.11 N ATOM 90 CA LYS A 7 10.766 -10.319 -12.623 1.00 5.33 C ATOM 91 C LYS A 7 10.778 -11.658 -13.351 1.00 50.51 C ATOM 92 O LYS A 7 10.947 -11.713 -14.568 1.00 53.11 O ATOM 93 CB LYS A 7 11.985 -10.217 -11.702 1.00 74.53 C ATOM 94 CG LYS A 7 13.316 -10.158 -12.437 1.00 32.40 C ATOM 95 CD LYS A 7 13.702 -8.731 -12.791 1.00 41.34 C ATOM 96 CE LYS A 7 14.058 -7.930 -11.546 1.00 12.01 C ATOM 97 NZ LYS A 7 14.567 -6.573 -11.877 1.00 3.24 N ATOM 0 H LYS A 7 9.660 -10.311 -10.844 1.00 31.11 H new ATOM 0 HA LYS A 7 10.810 -9.510 -13.352 1.00 5.33 H new ATOM 0 HB2 LYS A 7 11.885 -9.326 -11.082 1.00 74.53 H new ATOM 0 HB3 LYS A 7 11.991 -11.075 -11.029 1.00 74.53 H new ATOM 0 HG2 LYS A 7 14.094 -10.602 -11.816 1.00 32.40 H new ATOM 0 HG3 LYS A 7 13.256 -10.755 -13.347 1.00 32.40 H new ATOM 0 HD2 LYS A 7 14.551 -8.740 -13.475 1.00 41.34 H new ATOM 0 HD3 LYS A 7 12.877 -8.248 -13.314 1.00 41.34 H new ATOM 0 HE2 LYS A 7 13.178 -7.841 -10.910 1.00 12.01 H new ATOM 0 HE3 LYS A 7 14.812 -8.469 -10.973 1.00 12.01 H new ATOM 0 HZ1 LYS A 7 15.401 -6.363 -11.292 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 14.832 -6.537 -12.882 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.825 -5.869 -11.689 1.00 3.24 H new ATOM 111 N TRP A 8 10.605 -12.729 -12.576 1.00 63.10 N ATOM 112 CA TRP A 8 10.452 -14.080 -13.109 1.00 51.42 C ATOM 113 C TRP A 8 10.239 -15.066 -11.963 1.00 64.41 C ATOM 114 O TRP A 8 10.875 -14.958 -10.914 1.00 73.10 O ATOM 115 CB TRP A 8 11.671 -14.501 -13.942 1.00 44.13 C ATOM 116 CG TRP A 8 11.524 -15.863 -14.554 1.00 75.25 C ATOM 117 CD1 TRP A 8 10.521 -16.284 -15.376 1.00 24.15 C ATOM 118 CD2 TRP A 8 12.405 -16.980 -14.393 1.00 22.33 C ATOM 119 NE1 TRP A 8 10.717 -17.598 -15.727 1.00 52.32 N ATOM 120 CE2 TRP A 8 11.868 -18.047 -15.137 1.00 53.35 C ATOM 121 CE3 TRP A 8 13.595 -17.184 -13.688 1.00 20.44 C ATOM 122 CZ2 TRP A 8 12.482 -19.295 -15.199 1.00 43.21 C ATOM 123 CZ3 TRP A 8 14.201 -18.422 -13.751 1.00 13.43 C ATOM 124 CH2 TRP A 8 13.643 -19.463 -14.500 1.00 4.21 C ATOM 0 H TRP A 8 10.567 -12.682 -11.558 1.00 63.10 H new ATOM 0 HA TRP A 8 9.582 -14.086 -13.766 1.00 51.42 H new ATOM 0 HB2 TRP A 8 11.833 -13.769 -14.733 1.00 44.13 H new ATOM 0 HB3 TRP A 8 12.558 -14.488 -13.309 1.00 44.13 H new ATOM 0 HD1 TRP A 8 9.693 -15.673 -15.704 1.00 24.15 H new ATOM 0 HE1 TRP A 8 10.105 -18.149 -16.329 1.00 52.32 H new ATOM 0 HE3 TRP A 8 14.032 -16.387 -13.105 1.00 20.44 H new ATOM 0 HZ2 TRP A 8 12.056 -20.101 -15.779 1.00 43.21 H new ATOM 0 HZ3 TRP A 8 15.122 -18.590 -13.213 1.00 13.43 H new ATOM 0 HH2 TRP A 8 14.141 -20.421 -14.526 1.00 4.21 H new ATOM 135 N PHE A 9 9.341 -16.016 -12.162 1.00 52.40 N ATOM 136 CA PHE A 9 9.044 -17.010 -11.145 1.00 22.24 C ATOM 137 C PHE A 9 9.758 -18.313 -11.478 1.00 3.20 C ATOM 138 O PHE A 9 9.287 -19.097 -12.302 1.00 41.42 O ATOM 139 CB PHE A 9 7.529 -17.234 -11.048 1.00 74.24 C ATOM 140 CG PHE A 9 7.098 -18.086 -9.885 1.00 62.40 C ATOM 141 CD1 PHE A 9 6.813 -17.510 -8.659 1.00 12.41 C ATOM 142 CD2 PHE A 9 6.969 -19.461 -10.020 1.00 53.10 C ATOM 143 CE1 PHE A 9 6.410 -18.285 -7.590 1.00 41.31 C ATOM 144 CE2 PHE A 9 6.566 -20.241 -8.954 1.00 64.02 C ATOM 145 CZ PHE A 9 6.287 -19.652 -7.736 1.00 33.42 C ATOM 0 H PHE A 9 8.803 -16.120 -13.022 1.00 52.40 H new ATOM 0 HA PHE A 9 9.399 -16.651 -10.179 1.00 22.24 H new ATOM 0 HB2 PHE A 9 7.035 -16.265 -10.975 1.00 74.24 H new ATOM 0 HB3 PHE A 9 7.183 -17.699 -11.971 1.00 74.24 H new ATOM 0 HD1 PHE A 9 6.907 -16.441 -8.537 1.00 12.41 H new ATOM 0 HD2 PHE A 9 7.186 -19.927 -10.970 1.00 53.10 H new ATOM 0 HE1 PHE A 9 6.191 -17.822 -6.639 1.00 41.31 H new ATOM 0 HE2 PHE A 9 6.469 -21.310 -9.072 1.00 64.02 H new ATOM 0 HZ PHE A 9 5.973 -20.260 -6.900 1.00 33.42 H new ATOM 155 N ASN A 10 10.908 -18.529 -10.855 1.00 2.22 N ATOM 156 CA ASN A 10 11.695 -19.731 -11.097 1.00 25.34 C ATOM 157 C ASN A 10 10.998 -20.975 -10.543 1.00 1.25 C ATOM 158 O ASN A 10 11.312 -21.465 -9.453 1.00 60.34 O ATOM 159 CB ASN A 10 13.118 -19.588 -10.527 1.00 65.42 C ATOM 160 CG ASN A 10 13.152 -19.043 -9.108 1.00 12.51 C ATOM 161 OD1 ASN A 10 13.231 -19.924 -8.123 1.00 52.35 O flip ATOM 162 ND2 ASN A 10 13.128 -17.834 -8.900 1.00 74.13 N flip ATOM 0 H ASN A 10 11.318 -17.887 -10.177 1.00 2.22 H new ATOM 0 HA ASN A 10 11.781 -19.857 -12.176 1.00 25.34 H new ATOM 0 HB2 ASN A 10 13.608 -20.562 -10.545 1.00 65.42 H new ATOM 0 HB3 ASN A 10 13.696 -18.929 -11.175 1.00 65.42 H new ATOM 0 HD21 ASN A 10 13.067 -17.183 -9.683 1.00 74.13 H new ATOM 0 HD22 ASN A 10 13.169 -17.480 -7.944 1.00 74.13 H new ATOM 169 N ALA A 11 10.046 -21.484 -11.318 1.00 21.20 N ATOM 170 CA ALA A 11 9.287 -22.675 -10.952 1.00 33.22 C ATOM 171 C ALA A 11 10.195 -23.893 -10.845 1.00 54.21 C ATOM 172 O ALA A 11 9.807 -24.919 -10.291 1.00 4.12 O ATOM 173 CB ALA A 11 8.179 -22.921 -11.966 1.00 23.12 C ATOM 0 H ALA A 11 9.779 -21.083 -12.217 1.00 21.20 H new ATOM 0 HA ALA A 11 8.838 -22.507 -9.973 1.00 33.22 H new ATOM 0 HB1 ALA A 11 7.619 -23.812 -11.684 1.00 23.12 H new ATOM 0 HB2 ALA A 11 7.508 -22.062 -11.987 1.00 23.12 H new ATOM 0 HB3 ALA A 11 8.616 -23.065 -12.954 1.00 23.12 H new ATOM 179 N GLU A 12 11.405 -23.763 -11.381 1.00 64.41 N ATOM 180 CA GLU A 12 12.422 -24.799 -11.265 1.00 62.15 C ATOM 181 C GLU A 12 12.694 -25.108 -9.797 1.00 14.45 C ATOM 182 O GLU A 12 12.916 -26.256 -9.417 1.00 42.52 O ATOM 183 CB GLU A 12 13.717 -24.332 -11.928 1.00 54.51 C ATOM 184 CG GLU A 12 13.519 -23.751 -13.318 1.00 72.11 C ATOM 185 CD GLU A 12 14.798 -23.173 -13.881 1.00 72.14 C ATOM 186 OE1 GLU A 12 15.192 -22.070 -13.453 1.00 65.35 O ATOM 187 OE2 GLU A 12 15.424 -23.827 -14.738 1.00 62.40 O ATOM 0 H GLU A 12 11.705 -22.941 -11.905 1.00 64.41 H new ATOM 0 HA GLU A 12 12.060 -25.699 -11.762 1.00 62.15 H new ATOM 0 HB2 GLU A 12 14.188 -23.581 -11.294 1.00 54.51 H new ATOM 0 HB3 GLU A 12 14.406 -25.174 -11.991 1.00 54.51 H new ATOM 0 HG2 GLU A 12 13.148 -24.529 -13.986 1.00 72.11 H new ATOM 0 HG3 GLU A 12 12.756 -22.973 -13.280 1.00 72.11 H new ATOM 194 N LYS A 13 12.671 -24.064 -8.977 1.00 63.05 N ATOM 195 CA LYS A 13 12.929 -24.201 -7.551 1.00 34.23 C ATOM 196 C LYS A 13 11.628 -24.096 -6.763 1.00 13.21 C ATOM 197 O LYS A 13 11.535 -24.564 -5.630 1.00 64.33 O ATOM 198 CB LYS A 13 13.908 -23.121 -7.080 1.00 22.03 C ATOM 199 CG LYS A 13 15.199 -23.061 -7.885 1.00 33.02 C ATOM 200 CD LYS A 13 15.987 -24.357 -7.784 1.00 24.35 C ATOM 201 CE LYS A 13 17.312 -24.264 -8.526 1.00 32.43 C ATOM 202 NZ LYS A 13 17.131 -24.105 -9.994 1.00 44.25 N ATOM 0 H LYS A 13 12.475 -23.109 -9.278 1.00 63.05 H new ATOM 0 HA LYS A 13 13.371 -25.182 -7.375 1.00 34.23 H new ATOM 0 HB2 LYS A 13 13.414 -22.150 -7.131 1.00 22.03 H new ATOM 0 HB3 LYS A 13 14.153 -23.299 -6.033 1.00 22.03 H new ATOM 0 HG2 LYS A 13 14.967 -22.857 -8.930 1.00 33.02 H new ATOM 0 HG3 LYS A 13 15.812 -22.234 -7.528 1.00 33.02 H new ATOM 0 HD2 LYS A 13 16.172 -24.591 -6.736 1.00 24.35 H new ATOM 0 HD3 LYS A 13 15.396 -25.176 -8.194 1.00 24.35 H new ATOM 0 HE2 LYS A 13 17.883 -23.420 -8.140 1.00 32.43 H new ATOM 0 HE3 LYS A 13 17.899 -25.162 -8.330 1.00 32.43 H new ATOM 0 HZ1 LYS A 13 18.056 -24.165 -10.466 1.00 44.25 H new ATOM 0 HZ2 LYS A 13 16.510 -24.859 -10.351 1.00 44.25 H new ATOM 0 HZ3 LYS A 13 16.701 -23.179 -10.192 1.00 44.25 H new ATOM 216 N GLY A 14 10.625 -23.478 -7.373 1.00 11.21 N ATOM 217 CA GLY A 14 9.351 -23.295 -6.708 1.00 74.02 C ATOM 218 C GLY A 14 9.255 -21.942 -6.040 1.00 43.20 C ATOM 219 O GLY A 14 8.533 -21.771 -5.058 1.00 71.02 O ATOM 0 H GLY A 14 10.672 -23.099 -8.319 1.00 11.21 H new ATOM 0 HA2 GLY A 14 8.544 -23.400 -7.433 1.00 74.02 H new ATOM 0 HA3 GLY A 14 9.214 -24.079 -5.963 1.00 74.02 H new ATOM 223 N PHE A 15 9.986 -20.978 -6.584 1.00 52.24 N ATOM 224 CA PHE A 15 10.032 -19.633 -6.029 1.00 11.34 C ATOM 225 C PHE A 15 10.049 -18.634 -7.170 1.00 21.14 C ATOM 226 O PHE A 15 9.841 -19.011 -8.320 1.00 22.42 O ATOM 227 CB PHE A 15 11.281 -19.439 -5.156 1.00 10.05 C ATOM 228 CG PHE A 15 11.326 -20.319 -3.938 1.00 54.11 C ATOM 229 CD1 PHE A 15 10.617 -19.981 -2.797 1.00 44.44 C ATOM 230 CD2 PHE A 15 12.077 -21.483 -3.937 1.00 73.21 C ATOM 231 CE1 PHE A 15 10.653 -20.789 -1.677 1.00 23.44 C ATOM 232 CE2 PHE A 15 12.119 -22.297 -2.820 1.00 12.43 C ATOM 233 CZ PHE A 15 11.406 -21.950 -1.688 1.00 43.04 C ATOM 0 H PHE A 15 10.560 -21.106 -7.417 1.00 52.24 H new ATOM 0 HA PHE A 15 9.153 -19.479 -5.402 1.00 11.34 H new ATOM 0 HB2 PHE A 15 12.167 -19.631 -5.762 1.00 10.05 H new ATOM 0 HB3 PHE A 15 11.331 -18.397 -4.839 1.00 10.05 H new ATOM 0 HD1 PHE A 15 10.029 -19.075 -2.783 1.00 44.44 H new ATOM 0 HD2 PHE A 15 12.636 -21.758 -4.819 1.00 73.21 H new ATOM 0 HE1 PHE A 15 10.094 -20.515 -0.794 1.00 23.44 H new ATOM 0 HE2 PHE A 15 12.708 -23.202 -2.832 1.00 12.43 H new ATOM 0 HZ PHE A 15 11.436 -22.584 -0.814 1.00 43.04 H new ATOM 243 N GLY A 16 10.288 -17.374 -6.861 1.00 40.43 N ATOM 244 CA GLY A 16 10.402 -16.380 -7.902 1.00 11.52 C ATOM 245 C GLY A 16 10.928 -15.066 -7.384 1.00 40.02 C ATOM 246 O GLY A 16 10.931 -14.823 -6.176 1.00 45.34 O ATOM 0 H GLY A 16 10.405 -17.021 -5.911 1.00 40.43 H new ATOM 0 HA2 GLY A 16 11.064 -16.751 -8.684 1.00 11.52 H new ATOM 0 HA3 GLY A 16 9.425 -16.223 -8.359 1.00 11.52 H new ATOM 250 N PHE A 17 11.371 -14.222 -8.298 1.00 74.34 N ATOM 251 CA PHE A 17 11.852 -12.898 -7.951 1.00 53.43 C ATOM 252 C PHE A 17 10.896 -11.851 -8.498 1.00 13.24 C ATOM 253 O PHE A 17 10.439 -11.949 -9.640 1.00 15.34 O ATOM 254 CB PHE A 17 13.257 -12.665 -8.519 1.00 2.10 C ATOM 255 CG PHE A 17 14.298 -13.608 -7.982 1.00 3.45 C ATOM 256 CD1 PHE A 17 14.919 -13.356 -6.770 1.00 31.45 C ATOM 257 CD2 PHE A 17 14.656 -14.743 -8.691 1.00 3.22 C ATOM 258 CE1 PHE A 17 15.876 -14.220 -6.275 1.00 34.11 C ATOM 259 CE2 PHE A 17 15.612 -15.611 -8.201 1.00 65.43 C ATOM 260 CZ PHE A 17 16.224 -15.348 -6.991 1.00 73.11 C ATOM 0 H PHE A 17 11.407 -14.433 -9.295 1.00 74.34 H new ATOM 0 HA PHE A 17 11.902 -12.818 -6.865 1.00 53.43 H new ATOM 0 HB2 PHE A 17 13.220 -12.761 -9.604 1.00 2.10 H new ATOM 0 HB3 PHE A 17 13.561 -11.641 -8.300 1.00 2.10 H new ATOM 0 HD1 PHE A 17 14.652 -12.475 -6.206 1.00 31.45 H new ATOM 0 HD2 PHE A 17 14.182 -14.952 -9.639 1.00 3.22 H new ATOM 0 HE1 PHE A 17 16.352 -14.013 -5.328 1.00 34.11 H new ATOM 0 HE2 PHE A 17 15.880 -16.493 -8.763 1.00 65.43 H new ATOM 0 HZ PHE A 17 16.973 -16.024 -6.606 1.00 73.11 H new ATOM 270 N ILE A 18 10.579 -10.866 -7.682 1.00 0.40 N ATOM 271 CA ILE A 18 9.702 -9.789 -8.094 1.00 60.51 C ATOM 272 C ILE A 18 10.358 -8.442 -7.825 1.00 35.52 C ATOM 273 O ILE A 18 11.106 -8.279 -6.857 1.00 52.33 O ATOM 274 CB ILE A 18 8.327 -9.878 -7.384 1.00 5.54 C ATOM 275 CG1 ILE A 18 7.611 -11.161 -7.807 1.00 72.44 C ATOM 276 CG2 ILE A 18 7.462 -8.660 -7.687 1.00 72.34 C ATOM 277 CD1 ILE A 18 6.238 -11.326 -7.196 1.00 52.13 C ATOM 0 H ILE A 18 10.918 -10.789 -6.723 1.00 0.40 H new ATOM 0 HA ILE A 18 9.528 -9.887 -9.166 1.00 60.51 H new ATOM 0 HB ILE A 18 8.498 -9.898 -6.308 1.00 5.54 H new ATOM 0 HG12 ILE A 18 7.518 -11.173 -8.893 1.00 72.44 H new ATOM 0 HG13 ILE A 18 8.226 -12.017 -7.530 1.00 72.44 H new ATOM 0 HG21 ILE A 18 6.506 -8.756 -7.173 1.00 72.34 H new ATOM 0 HG22 ILE A 18 7.970 -7.759 -7.343 1.00 72.34 H new ATOM 0 HG23 ILE A 18 7.291 -8.593 -8.761 1.00 72.34 H new ATOM 0 HD11 ILE A 18 5.795 -12.259 -7.544 1.00 52.13 H new ATOM 0 HD12 ILE A 18 6.323 -11.348 -6.110 1.00 52.13 H new ATOM 0 HD13 ILE A 18 5.605 -10.490 -7.493 1.00 52.13 H new ATOM 289 N GLU A 19 10.094 -7.497 -8.709 1.00 33.45 N ATOM 290 CA GLU A 19 10.637 -6.162 -8.605 1.00 62.55 C ATOM 291 C GLU A 19 9.569 -5.230 -8.051 1.00 55.34 C ATOM 292 O GLU A 19 8.388 -5.406 -8.330 1.00 40.14 O ATOM 293 CB GLU A 19 11.087 -5.694 -9.988 1.00 40.52 C ATOM 294 CG GLU A 19 11.796 -4.354 -9.996 1.00 13.13 C ATOM 295 CD GLU A 19 12.183 -3.926 -11.393 1.00 34.43 C ATOM 296 OE1 GLU A 19 12.623 -4.789 -12.182 1.00 52.51 O ATOM 297 OE2 GLU A 19 12.050 -2.728 -11.715 1.00 21.05 O ATOM 0 H GLU A 19 9.494 -7.638 -9.522 1.00 33.45 H new ATOM 0 HA GLU A 19 11.495 -6.156 -7.933 1.00 62.55 H new ATOM 0 HB2 GLU A 19 11.752 -6.446 -10.414 1.00 40.52 H new ATOM 0 HB3 GLU A 19 10.215 -5.634 -10.639 1.00 40.52 H new ATOM 0 HG2 GLU A 19 11.148 -3.598 -9.552 1.00 13.13 H new ATOM 0 HG3 GLU A 19 12.689 -4.413 -9.374 1.00 13.13 H new ATOM 304 N ARG A 20 9.978 -4.259 -7.257 1.00 64.21 N ATOM 305 CA ARG A 20 9.048 -3.309 -6.668 1.00 1.41 C ATOM 306 C ARG A 20 9.566 -1.889 -6.844 1.00 53.42 C ATOM 307 O ARG A 20 10.704 -1.690 -7.272 1.00 74.51 O ATOM 308 CB ARG A 20 8.829 -3.627 -5.181 1.00 74.11 C ATOM 309 CG ARG A 20 10.111 -3.741 -4.370 1.00 53.22 C ATOM 310 CD ARG A 20 9.828 -4.122 -2.930 1.00 53.30 C ATOM 311 NE ARG A 20 11.045 -4.450 -2.190 1.00 72.53 N ATOM 312 CZ ARG A 20 11.265 -4.093 -0.926 1.00 30.14 C ATOM 313 NH1 ARG A 20 10.395 -3.318 -0.285 1.00 43.20 N ATOM 314 NH2 ARG A 20 12.371 -4.493 -0.311 1.00 23.34 N ATOM 0 H ARG A 20 10.954 -4.105 -7.003 1.00 64.21 H new ATOM 0 HA ARG A 20 8.089 -3.392 -7.180 1.00 1.41 H new ATOM 0 HB2 ARG A 20 8.204 -2.849 -4.743 1.00 74.11 H new ATOM 0 HB3 ARG A 20 8.277 -4.563 -5.099 1.00 74.11 H new ATOM 0 HG2 ARG A 20 10.764 -4.487 -4.823 1.00 53.22 H new ATOM 0 HG3 ARG A 20 10.645 -2.791 -4.398 1.00 53.22 H new ATOM 0 HD2 ARG A 20 9.315 -3.298 -2.433 1.00 53.30 H new ATOM 0 HD3 ARG A 20 9.152 -4.977 -2.909 1.00 53.30 H new ATOM 0 HE ARG A 20 11.769 -4.984 -2.670 1.00 72.53 H new ATOM 0 HH11 ARG A 20 9.553 -2.994 -0.761 1.00 43.20 H new ATOM 0 HH12 ARG A 20 10.569 -3.048 0.683 1.00 43.20 H new ATOM 0 HH21 ARG A 20 13.049 -5.072 -0.806 1.00 23.34 H new ATOM 0 HH22 ARG A 20 12.543 -4.222 0.657 1.00 23.34 H new ATOM 328 N GLU A 21 8.735 -0.908 -6.511 1.00 40.21 N ATOM 329 CA GLU A 21 9.119 0.499 -6.625 1.00 62.33 C ATOM 330 C GLU A 21 10.290 0.819 -5.698 1.00 43.30 C ATOM 331 O GLU A 21 11.003 1.804 -5.891 1.00 3.03 O ATOM 332 CB GLU A 21 7.934 1.405 -6.289 1.00 61.44 C ATOM 333 CG GLU A 21 6.724 1.199 -7.188 1.00 51.24 C ATOM 334 CD GLU A 21 7.027 1.448 -8.651 1.00 60.14 C ATOM 335 OE1 GLU A 21 7.031 2.624 -9.075 1.00 60.51 O ATOM 336 OE2 GLU A 21 7.254 0.470 -9.391 1.00 23.23 O ATOM 0 H GLU A 21 7.789 -1.059 -6.159 1.00 40.21 H new ATOM 0 HA GLU A 21 9.427 0.681 -7.655 1.00 62.33 H new ATOM 0 HB2 GLU A 21 7.639 1.231 -5.254 1.00 61.44 H new ATOM 0 HB3 GLU A 21 8.253 2.445 -6.359 1.00 61.44 H new ATOM 0 HG2 GLU A 21 6.357 0.180 -7.067 1.00 51.24 H new ATOM 0 HG3 GLU A 21 5.923 1.866 -6.869 1.00 51.24 H new ATOM 343 N ASN A 22 10.483 -0.032 -4.701 1.00 23.15 N ATOM 344 CA ASN A 22 11.523 0.170 -3.701 1.00 44.44 C ATOM 345 C ASN A 22 12.735 -0.722 -3.955 1.00 41.21 C ATOM 346 O ASN A 22 13.601 -0.859 -3.093 1.00 33.21 O ATOM 347 CB ASN A 22 10.952 -0.096 -2.307 1.00 21.13 C ATOM 348 CG ASN A 22 9.983 0.985 -1.868 1.00 53.31 C ATOM 349 OD1 ASN A 22 10.193 2.167 -2.137 1.00 42.31 O ATOM 350 ND2 ASN A 22 8.894 0.589 -1.231 1.00 43.52 N ATOM 0 H ASN A 22 9.928 -0.876 -4.562 1.00 23.15 H new ATOM 0 HA ASN A 22 11.861 1.204 -3.768 1.00 44.44 H new ATOM 0 HB2 ASN A 22 10.444 -1.060 -2.302 1.00 21.13 H new ATOM 0 HB3 ASN A 22 11.769 -0.163 -1.588 1.00 21.13 H new ATOM 0 HD21 ASN A 22 8.193 1.273 -0.945 1.00 43.52 H new ATOM 0 HD22 ASN A 22 8.755 -0.400 -1.025 1.00 43.52 H new ATOM 357 N GLY A 23 12.803 -1.321 -5.138 1.00 3.23 N ATOM 358 CA GLY A 23 13.944 -2.155 -5.480 1.00 63.31 C ATOM 359 C GLY A 23 13.535 -3.475 -6.104 1.00 41.01 C ATOM 360 O GLY A 23 12.376 -3.862 -6.048 1.00 0.34 O ATOM 0 H GLY A 23 12.092 -1.246 -5.866 1.00 3.23 H new ATOM 0 HA2 GLY A 23 14.590 -1.615 -6.172 1.00 63.31 H new ATOM 0 HA3 GLY A 23 14.530 -2.348 -4.582 1.00 63.31 H new ATOM 364 N ASP A 24 14.480 -4.171 -6.704 1.00 74.02 N ATOM 365 CA ASP A 24 14.197 -5.445 -7.351 1.00 0.32 C ATOM 366 C ASP A 24 14.505 -6.614 -6.412 1.00 30.44 C ATOM 367 O ASP A 24 15.261 -7.529 -6.749 1.00 11.12 O ATOM 368 CB ASP A 24 15.007 -5.566 -8.651 1.00 41.34 C ATOM 369 CG ASP A 24 16.510 -5.615 -8.427 1.00 42.42 C ATOM 370 OD1 ASP A 24 17.012 -4.929 -7.510 1.00 65.51 O ATOM 371 OD2 ASP A 24 17.192 -6.358 -9.161 1.00 15.23 O ATOM 0 H ASP A 24 15.455 -3.878 -6.759 1.00 74.02 H new ATOM 0 HA ASP A 24 13.135 -5.482 -7.594 1.00 0.32 H new ATOM 0 HB2 ASP A 24 14.697 -6.467 -9.180 1.00 41.34 H new ATOM 0 HB3 ASP A 24 14.771 -4.720 -9.297 1.00 41.34 H new ATOM 376 N ASP A 25 13.876 -6.607 -5.246 1.00 13.41 N ATOM 377 CA ASP A 25 14.122 -7.639 -4.247 1.00 21.03 C ATOM 378 C ASP A 25 12.837 -8.059 -3.540 1.00 50.34 C ATOM 379 O ASP A 25 12.503 -7.564 -2.463 1.00 40.44 O ATOM 380 CB ASP A 25 15.190 -7.187 -3.233 1.00 33.42 C ATOM 381 CG ASP A 25 14.932 -5.808 -2.646 1.00 32.22 C ATOM 382 OD1 ASP A 25 15.208 -4.804 -3.338 1.00 40.34 O ATOM 383 OD2 ASP A 25 14.487 -5.719 -1.477 1.00 32.42 O ATOM 0 H ASP A 25 13.194 -5.901 -4.968 1.00 13.41 H new ATOM 0 HA ASP A 25 14.505 -8.514 -4.772 1.00 21.03 H new ATOM 0 HB2 ASP A 25 15.239 -7.914 -2.422 1.00 33.42 H new ATOM 0 HB3 ASP A 25 16.165 -7.188 -3.721 1.00 33.42 H new ATOM 388 N VAL A 26 12.091 -8.942 -4.189 1.00 65.13 N ATOM 389 CA VAL A 26 10.928 -9.571 -3.578 1.00 14.05 C ATOM 390 C VAL A 26 10.952 -11.076 -3.849 1.00 23.13 C ATOM 391 O VAL A 26 10.957 -11.499 -5.003 1.00 25.30 O ATOM 392 CB VAL A 26 9.609 -8.972 -4.120 1.00 74.32 C ATOM 393 CG1 VAL A 26 8.406 -9.678 -3.520 1.00 12.51 C ATOM 394 CG2 VAL A 26 9.533 -7.478 -3.847 1.00 22.43 C ATOM 0 H VAL A 26 12.273 -9.241 -5.147 1.00 65.13 H new ATOM 0 HA VAL A 26 10.972 -9.384 -2.505 1.00 14.05 H new ATOM 0 HB VAL A 26 9.597 -9.124 -5.199 1.00 74.32 H new ATOM 0 HG11 VAL A 26 7.491 -9.239 -3.917 1.00 12.51 H new ATOM 0 HG12 VAL A 26 8.441 -10.737 -3.776 1.00 12.51 H new ATOM 0 HG13 VAL A 26 8.422 -9.566 -2.436 1.00 12.51 H new ATOM 0 HG21 VAL A 26 8.595 -7.084 -4.239 1.00 22.43 H new ATOM 0 HG22 VAL A 26 9.580 -7.302 -2.772 1.00 22.43 H new ATOM 0 HG23 VAL A 26 10.369 -6.976 -4.334 1.00 22.43 H new ATOM 404 N PHE A 27 10.985 -11.881 -2.790 1.00 12.21 N ATOM 405 CA PHE A 27 11.018 -13.334 -2.937 1.00 62.40 C ATOM 406 C PHE A 27 9.612 -13.920 -2.831 1.00 63.24 C ATOM 407 O PHE A 27 9.028 -13.974 -1.747 1.00 22.14 O ATOM 408 CB PHE A 27 11.930 -13.964 -1.876 1.00 3.54 C ATOM 409 CG PHE A 27 13.378 -13.574 -2.009 1.00 73.54 C ATOM 410 CD1 PHE A 27 13.856 -12.410 -1.427 1.00 10.30 C ATOM 411 CD2 PHE A 27 14.262 -14.376 -2.713 1.00 1.21 C ATOM 412 CE1 PHE A 27 15.186 -12.052 -1.546 1.00 72.42 C ATOM 413 CE2 PHE A 27 15.593 -14.023 -2.835 1.00 65.04 C ATOM 414 CZ PHE A 27 16.055 -12.860 -2.251 1.00 55.05 C ATOM 0 H PHE A 27 10.990 -11.554 -1.824 1.00 12.21 H new ATOM 0 HA PHE A 27 11.418 -13.564 -3.925 1.00 62.40 H new ATOM 0 HB2 PHE A 27 11.575 -13.674 -0.887 1.00 3.54 H new ATOM 0 HB3 PHE A 27 11.849 -15.049 -1.939 1.00 3.54 H new ATOM 0 HD1 PHE A 27 13.181 -11.775 -0.873 1.00 10.30 H new ATOM 0 HD2 PHE A 27 13.907 -15.287 -3.172 1.00 1.21 H new ATOM 0 HE1 PHE A 27 15.544 -11.142 -1.088 1.00 72.42 H new ATOM 0 HE2 PHE A 27 16.271 -14.657 -3.387 1.00 65.04 H new ATOM 0 HZ PHE A 27 17.095 -12.583 -2.346 1.00 55.05 H new ATOM 424 N VAL A 28 9.073 -14.357 -3.957 1.00 35.04 N ATOM 425 CA VAL A 28 7.723 -14.903 -3.993 1.00 31.11 C ATOM 426 C VAL A 28 7.753 -16.432 -3.986 1.00 44.24 C ATOM 427 O VAL A 28 8.704 -17.048 -4.466 1.00 53.30 O ATOM 428 CB VAL A 28 6.932 -14.390 -5.222 1.00 44.21 C ATOM 429 CG1 VAL A 28 7.623 -14.770 -6.517 1.00 54.11 C ATOM 430 CG2 VAL A 28 5.505 -14.912 -5.210 1.00 1.23 C ATOM 0 H VAL A 28 9.548 -14.345 -4.859 1.00 35.04 H new ATOM 0 HA VAL A 28 7.211 -14.558 -3.095 1.00 31.11 H new ATOM 0 HB VAL A 28 6.900 -13.302 -5.160 1.00 44.21 H new ATOM 0 HG11 VAL A 28 7.044 -14.396 -7.362 1.00 54.11 H new ATOM 0 HG12 VAL A 28 8.621 -14.332 -6.539 1.00 54.11 H new ATOM 0 HG13 VAL A 28 7.701 -15.855 -6.583 1.00 54.11 H new ATOM 0 HG21 VAL A 28 4.973 -14.536 -6.084 1.00 1.23 H new ATOM 0 HG22 VAL A 28 5.516 -16.002 -5.233 1.00 1.23 H new ATOM 0 HG23 VAL A 28 5.001 -14.573 -4.305 1.00 1.23 H new ATOM 440 N HIS A 29 6.713 -17.032 -3.417 1.00 33.42 N ATOM 441 CA HIS A 29 6.595 -18.483 -3.343 1.00 54.34 C ATOM 442 C HIS A 29 5.129 -18.897 -3.498 1.00 44.52 C ATOM 443 O HIS A 29 4.236 -18.059 -3.359 1.00 53.40 O ATOM 444 CB HIS A 29 7.191 -19.013 -2.028 1.00 31.20 C ATOM 445 CG HIS A 29 6.610 -18.412 -0.781 1.00 1.43 C ATOM 446 ND1 HIS A 29 5.804 -19.114 0.086 1.00 63.12 N ATOM 447 CD2 HIS A 29 6.746 -17.176 -0.242 1.00 72.23 C ATOM 448 CE1 HIS A 29 5.471 -18.341 1.102 1.00 74.11 C ATOM 449 NE2 HIS A 29 6.029 -17.158 0.927 1.00 31.53 N ATOM 0 H HIS A 29 5.932 -16.529 -2.996 1.00 33.42 H new ATOM 0 HA HIS A 29 7.164 -18.926 -4.161 1.00 54.34 H new ATOM 0 HB2 HIS A 29 7.051 -20.093 -1.992 1.00 31.20 H new ATOM 0 HB3 HIS A 29 8.266 -18.831 -2.034 1.00 31.20 H new ATOM 0 HD2 HIS A 29 7.314 -16.356 -0.657 1.00 72.23 H new ATOM 0 HE1 HIS A 29 4.847 -18.628 1.936 1.00 74.11 H new ATOM 0 HE2 HIS A 29 5.941 -16.361 1.558 1.00 31.53 H new ATOM 458 N PHE A 30 4.895 -20.187 -3.764 1.00 22.01 N ATOM 459 CA PHE A 30 3.563 -20.701 -4.134 1.00 65.53 C ATOM 460 C PHE A 30 2.463 -20.291 -3.153 1.00 5.14 C ATOM 461 O PHE A 30 1.359 -19.938 -3.567 1.00 43.34 O ATOM 462 CB PHE A 30 3.587 -22.228 -4.242 1.00 74.13 C ATOM 463 CG PHE A 30 4.313 -22.752 -5.450 1.00 31.04 C ATOM 464 CD1 PHE A 30 3.857 -22.465 -6.726 1.00 14.15 C ATOM 465 CD2 PHE A 30 5.444 -23.539 -5.308 1.00 1.23 C ATOM 466 CE1 PHE A 30 4.517 -22.951 -7.839 1.00 42.55 C ATOM 467 CE2 PHE A 30 6.106 -24.030 -6.417 1.00 34.41 C ATOM 468 CZ PHE A 30 5.642 -23.736 -7.684 1.00 71.35 C ATOM 0 H PHE A 30 5.618 -20.905 -3.730 1.00 22.01 H new ATOM 0 HA PHE A 30 3.328 -20.253 -5.100 1.00 65.53 H new ATOM 0 HB2 PHE A 30 4.055 -22.637 -3.346 1.00 74.13 H new ATOM 0 HB3 PHE A 30 2.561 -22.595 -4.262 1.00 74.13 H new ATOM 0 HD1 PHE A 30 2.975 -21.854 -6.853 1.00 14.15 H new ATOM 0 HD2 PHE A 30 5.812 -23.771 -4.320 1.00 1.23 H new ATOM 0 HE1 PHE A 30 4.153 -22.717 -8.829 1.00 42.55 H new ATOM 0 HE2 PHE A 30 6.986 -24.644 -6.293 1.00 34.41 H new ATOM 0 HZ PHE A 30 6.158 -24.119 -8.552 1.00 71.35 H new ATOM 478 N SER A 31 2.774 -20.324 -1.863 1.00 12.14 N ATOM 479 CA SER A 31 1.784 -20.071 -0.810 1.00 44.05 C ATOM 480 C SER A 31 1.218 -18.641 -0.847 1.00 72.04 C ATOM 481 O SER A 31 0.346 -18.301 -0.050 1.00 33.05 O ATOM 482 CB SER A 31 2.409 -20.347 0.561 1.00 41.43 C ATOM 483 OG SER A 31 1.463 -20.186 1.606 1.00 70.34 O ATOM 0 H SER A 31 3.711 -20.525 -1.514 1.00 12.14 H new ATOM 0 HA SER A 31 0.947 -20.746 -0.989 1.00 44.05 H new ATOM 0 HB2 SER A 31 2.807 -21.361 0.583 1.00 41.43 H new ATOM 0 HB3 SER A 31 3.249 -19.671 0.722 1.00 41.43 H new ATOM 0 HG SER A 31 0.810 -19.501 1.353 1.00 70.34 H new ATOM 489 N ALA A 32 1.714 -17.808 -1.751 1.00 4.21 N ATOM 490 CA ALA A 32 1.248 -16.429 -1.850 1.00 54.42 C ATOM 491 C ALA A 32 0.201 -16.266 -2.951 1.00 70.10 C ATOM 492 O ALA A 32 -0.527 -15.266 -2.987 1.00 22.21 O ATOM 493 CB ALA A 32 2.428 -15.503 -2.101 1.00 32.53 C ATOM 0 H ALA A 32 2.437 -18.060 -2.425 1.00 4.21 H new ATOM 0 HA ALA A 32 0.774 -16.164 -0.905 1.00 54.42 H new ATOM 0 HB1 ALA A 32 2.074 -14.475 -2.174 1.00 32.53 H new ATOM 0 HB2 ALA A 32 3.137 -15.585 -1.277 1.00 32.53 H new ATOM 0 HB3 ALA A 32 2.920 -15.785 -3.032 1.00 32.53 H new ATOM 499 N ILE A 33 0.117 -17.261 -3.827 1.00 30.33 N ATOM 500 CA ILE A 33 -0.740 -17.185 -5.007 1.00 34.52 C ATOM 501 C ILE A 33 -2.155 -17.676 -4.687 1.00 13.25 C ATOM 502 O ILE A 33 -2.338 -18.627 -3.923 1.00 62.51 O ATOM 503 CB ILE A 33 -0.142 -17.998 -6.195 1.00 52.51 C ATOM 504 CG1 ILE A 33 1.101 -17.305 -6.774 1.00 74.20 C ATOM 505 CG2 ILE A 33 -1.167 -18.217 -7.302 1.00 1.14 C ATOM 506 CD1 ILE A 33 2.336 -17.397 -5.903 1.00 50.32 C ATOM 0 H ILE A 33 0.635 -18.136 -3.742 1.00 30.33 H new ATOM 0 HA ILE A 33 -0.795 -16.138 -5.305 1.00 34.52 H new ATOM 0 HB ILE A 33 0.148 -18.970 -5.795 1.00 52.51 H new ATOM 0 HG12 ILE A 33 1.325 -17.743 -7.747 1.00 74.20 H new ATOM 0 HG13 ILE A 33 0.869 -16.253 -6.943 1.00 74.20 H new ATOM 0 HG21 ILE A 33 -0.712 -18.787 -8.112 1.00 1.14 H new ATOM 0 HG22 ILE A 33 -2.019 -18.768 -6.905 1.00 1.14 H new ATOM 0 HG23 ILE A 33 -1.504 -17.253 -7.682 1.00 1.14 H new ATOM 0 HD11 ILE A 33 3.164 -16.881 -6.390 1.00 50.32 H new ATOM 0 HD12 ILE A 33 2.136 -16.932 -4.938 1.00 50.32 H new ATOM 0 HD13 ILE A 33 2.599 -18.444 -5.754 1.00 50.32 H new ATOM 518 N GLN A 34 -3.150 -17.011 -5.267 1.00 53.04 N ATOM 519 CA GLN A 34 -4.550 -17.359 -5.051 1.00 54.43 C ATOM 520 C GLN A 34 -5.190 -17.789 -6.372 1.00 23.51 C ATOM 521 O GLN A 34 -4.494 -17.995 -7.368 1.00 5.11 O ATOM 522 CB GLN A 34 -5.316 -16.163 -4.454 1.00 44.13 C ATOM 523 CG GLN A 34 -5.660 -15.060 -5.455 1.00 21.40 C ATOM 524 CD GLN A 34 -4.439 -14.422 -6.092 1.00 54.32 C ATOM 525 OE1 GLN A 34 -3.954 -14.872 -7.127 1.00 34.14 O ATOM 526 NE2 GLN A 34 -3.941 -13.363 -5.487 1.00 55.35 N ATOM 0 H GLN A 34 -3.010 -16.221 -5.896 1.00 53.04 H new ATOM 0 HA GLN A 34 -4.600 -18.188 -4.345 1.00 54.43 H new ATOM 0 HB2 GLN A 34 -6.240 -16.528 -4.005 1.00 44.13 H new ATOM 0 HB3 GLN A 34 -4.720 -15.732 -3.650 1.00 44.13 H new ATOM 0 HG2 GLN A 34 -6.294 -15.475 -6.238 1.00 21.40 H new ATOM 0 HG3 GLN A 34 -6.242 -14.289 -4.949 1.00 21.40 H new ATOM 0 HE21 GLN A 34 -4.370 -13.017 -4.629 1.00 55.35 H new ATOM 0 HE22 GLN A 34 -3.126 -12.889 -5.877 1.00 55.35 H new ATOM 535 N GLY A 35 -6.510 -17.932 -6.381 1.00 4.33 N ATOM 536 CA GLY A 35 -7.204 -18.221 -7.617 1.00 4.33 C ATOM 537 C GLY A 35 -7.255 -17.011 -8.532 1.00 20.54 C ATOM 538 O GLY A 35 -8.180 -16.201 -8.459 1.00 21.15 O ATOM 0 H GLY A 35 -7.108 -17.853 -5.558 1.00 4.33 H new ATOM 0 HA2 GLY A 35 -6.705 -19.044 -8.130 1.00 4.33 H new ATOM 0 HA3 GLY A 35 -8.219 -18.552 -7.395 1.00 4.33 H new ATOM 542 N ASP A 36 -6.236 -16.876 -9.368 1.00 72.31 N ATOM 543 CA ASP A 36 -6.180 -15.806 -10.358 1.00 12.12 C ATOM 544 C ASP A 36 -6.587 -16.333 -11.725 1.00 72.52 C ATOM 545 O ASP A 36 -7.347 -15.700 -12.459 1.00 31.31 O ATOM 546 CB ASP A 36 -4.761 -15.230 -10.438 1.00 12.34 C ATOM 547 CG ASP A 36 -4.622 -14.160 -11.505 1.00 4.22 C ATOM 548 OD1 ASP A 36 -4.919 -12.985 -11.212 1.00 5.44 O ATOM 549 OD2 ASP A 36 -4.219 -14.485 -12.642 1.00 35.32 O ATOM 0 H ASP A 36 -5.429 -17.500 -9.381 1.00 72.31 H new ATOM 0 HA ASP A 36 -6.871 -15.020 -10.054 1.00 12.12 H new ATOM 0 HB2 ASP A 36 -4.489 -14.809 -9.470 1.00 12.34 H new ATOM 0 HB3 ASP A 36 -4.057 -16.036 -10.644 1.00 12.34 H new ATOM 554 N GLY A 37 -6.079 -17.507 -12.043 1.00 2.43 N ATOM 555 CA GLY A 37 -6.284 -18.101 -13.345 1.00 4.11 C ATOM 556 C GLY A 37 -5.119 -18.993 -13.689 1.00 15.41 C ATOM 557 O GLY A 37 -5.277 -20.059 -14.287 1.00 12.25 O ATOM 0 H GLY A 37 -5.515 -18.072 -11.408 1.00 2.43 H new ATOM 0 HA2 GLY A 37 -7.209 -18.678 -13.350 1.00 4.11 H new ATOM 0 HA3 GLY A 37 -6.391 -17.320 -14.098 1.00 4.11 H new ATOM 561 N PHE A 38 -3.940 -18.551 -13.286 1.00 41.50 N ATOM 562 CA PHE A 38 -2.738 -19.353 -13.396 1.00 4.24 C ATOM 563 C PHE A 38 -2.344 -19.855 -12.013 1.00 64.35 C ATOM 564 O PHE A 38 -2.894 -19.405 -11.008 1.00 43.03 O ATOM 565 CB PHE A 38 -1.597 -18.537 -14.011 1.00 50.30 C ATOM 566 CG PHE A 38 -1.931 -17.972 -15.362 1.00 72.11 C ATOM 567 CD1 PHE A 38 -1.963 -18.790 -16.479 1.00 31.41 C ATOM 568 CD2 PHE A 38 -2.212 -16.623 -15.514 1.00 35.22 C ATOM 569 CE1 PHE A 38 -2.273 -18.274 -17.722 1.00 60.54 C ATOM 570 CE2 PHE A 38 -2.521 -16.103 -16.755 1.00 44.24 C ATOM 571 CZ PHE A 38 -2.551 -16.929 -17.861 1.00 75.43 C ATOM 0 H PHE A 38 -3.791 -17.629 -12.875 1.00 41.50 H new ATOM 0 HA PHE A 38 -2.934 -20.203 -14.050 1.00 4.24 H new ATOM 0 HB2 PHE A 38 -1.340 -17.720 -13.337 1.00 50.30 H new ATOM 0 HB3 PHE A 38 -0.713 -19.169 -14.098 1.00 50.30 H new ATOM 0 HD1 PHE A 38 -1.743 -19.842 -16.377 1.00 31.41 H new ATOM 0 HD2 PHE A 38 -2.189 -15.972 -14.653 1.00 35.22 H new ATOM 0 HE1 PHE A 38 -2.298 -18.923 -18.585 1.00 60.54 H new ATOM 0 HE2 PHE A 38 -2.739 -15.051 -16.861 1.00 44.24 H new ATOM 0 HZ PHE A 38 -2.791 -16.524 -18.833 1.00 75.43 H new ATOM 581 N LYS A 39 -1.410 -20.788 -11.964 1.00 21.12 N ATOM 582 CA LYS A 39 -0.958 -21.353 -10.697 1.00 4.22 C ATOM 583 C LYS A 39 0.451 -20.874 -10.367 1.00 72.43 C ATOM 584 O LYS A 39 1.116 -21.406 -9.481 1.00 5.31 O ATOM 585 CB LYS A 39 -1.030 -22.886 -10.750 1.00 4.32 C ATOM 586 CG LYS A 39 -0.562 -23.490 -12.070 1.00 71.32 C ATOM 587 CD LYS A 39 0.953 -23.514 -12.192 1.00 2.22 C ATOM 588 CE LYS A 39 1.392 -23.908 -13.593 1.00 55.34 C ATOM 589 NZ LYS A 39 0.678 -25.116 -14.081 1.00 24.43 N ATOM 0 H LYS A 39 -0.947 -21.174 -12.787 1.00 21.12 H new ATOM 0 HA LYS A 39 -1.617 -21.008 -9.900 1.00 4.22 H new ATOM 0 HB2 LYS A 39 -0.424 -23.295 -9.941 1.00 4.32 H new ATOM 0 HB3 LYS A 39 -2.058 -23.197 -10.566 1.00 4.32 H new ATOM 0 HG2 LYS A 39 -0.947 -24.506 -12.158 1.00 71.32 H new ATOM 0 HG3 LYS A 39 -0.981 -22.917 -12.897 1.00 71.32 H new ATOM 0 HD2 LYS A 39 1.355 -22.531 -11.947 1.00 2.22 H new ATOM 0 HD3 LYS A 39 1.366 -24.217 -11.469 1.00 2.22 H new ATOM 0 HE2 LYS A 39 1.210 -23.079 -14.277 1.00 55.34 H new ATOM 0 HE3 LYS A 39 2.466 -24.095 -13.597 1.00 55.34 H new ATOM 0 HZ1 LYS A 39 1.172 -25.499 -14.912 1.00 24.43 H new ATOM 0 HZ2 LYS A 39 0.657 -25.834 -13.329 1.00 24.43 H new ATOM 0 HZ3 LYS A 39 -0.296 -24.861 -14.344 1.00 24.43 H new ATOM 603 N SER A 40 0.887 -19.855 -11.088 1.00 13.11 N ATOM 604 CA SER A 40 2.203 -19.275 -10.901 1.00 44.10 C ATOM 605 C SER A 40 2.202 -17.836 -11.403 1.00 74.13 C ATOM 606 O SER A 40 1.183 -17.352 -11.896 1.00 41.35 O ATOM 607 CB SER A 40 3.253 -20.113 -11.635 1.00 0.31 C ATOM 608 OG SER A 40 2.796 -20.473 -12.928 1.00 33.41 O ATOM 0 H SER A 40 0.336 -19.407 -11.820 1.00 13.11 H new ATOM 0 HA SER A 40 2.454 -19.271 -9.840 1.00 44.10 H new ATOM 0 HB2 SER A 40 4.182 -19.549 -11.717 1.00 0.31 H new ATOM 0 HB3 SER A 40 3.475 -21.012 -11.059 1.00 0.31 H new ATOM 0 HG SER A 40 3.482 -21.006 -13.381 1.00 33.41 H new ATOM 614 N LEU A 41 3.327 -17.148 -11.277 1.00 11.24 N ATOM 615 CA LEU A 41 3.408 -15.761 -11.708 1.00 0.35 C ATOM 616 C LEU A 41 4.234 -15.637 -12.979 1.00 60.11 C ATOM 617 O LEU A 41 5.352 -16.147 -13.061 1.00 11.50 O ATOM 618 CB LEU A 41 4.011 -14.887 -10.604 1.00 74.33 C ATOM 619 CG LEU A 41 3.219 -14.848 -9.295 1.00 61.30 C ATOM 620 CD1 LEU A 41 3.915 -13.954 -8.283 1.00 13.42 C ATOM 621 CD2 LEU A 41 1.798 -14.367 -9.542 1.00 14.41 C ATOM 0 H LEU A 41 4.190 -17.524 -10.883 1.00 11.24 H new ATOM 0 HA LEU A 41 2.396 -15.415 -11.916 1.00 0.35 H new ATOM 0 HB2 LEU A 41 5.018 -15.245 -10.390 1.00 74.33 H new ATOM 0 HB3 LEU A 41 4.108 -13.869 -10.981 1.00 74.33 H new ATOM 0 HG LEU A 41 3.172 -15.859 -8.891 1.00 61.30 H new ATOM 0 HD11 LEU A 41 3.340 -13.936 -7.357 1.00 13.42 H new ATOM 0 HD12 LEU A 41 4.914 -14.341 -8.082 1.00 13.42 H new ATOM 0 HD13 LEU A 41 3.991 -12.943 -8.682 1.00 13.42 H new ATOM 0 HD21 LEU A 41 1.252 -14.346 -8.599 1.00 14.41 H new ATOM 0 HD22 LEU A 41 1.822 -13.364 -9.969 1.00 14.41 H new ATOM 0 HD23 LEU A 41 1.300 -15.045 -10.235 1.00 14.41 H new ATOM 633 N ASP A 42 3.675 -14.960 -13.970 1.00 60.03 N ATOM 634 CA ASP A 42 4.365 -14.747 -15.232 1.00 12.20 C ATOM 635 C ASP A 42 5.125 -13.430 -15.232 1.00 53.13 C ATOM 636 O ASP A 42 4.590 -12.374 -14.867 1.00 73.23 O ATOM 637 CB ASP A 42 3.388 -14.791 -16.408 1.00 32.13 C ATOM 638 CG ASP A 42 3.113 -16.205 -16.873 1.00 44.54 C ATOM 639 OD1 ASP A 42 3.912 -16.737 -17.677 1.00 63.51 O ATOM 640 OD2 ASP A 42 2.103 -16.796 -16.439 1.00 73.43 O ATOM 0 H ASP A 42 2.743 -14.548 -13.924 1.00 60.03 H new ATOM 0 HA ASP A 42 5.085 -15.557 -15.348 1.00 12.20 H new ATOM 0 HB2 ASP A 42 2.450 -14.318 -16.117 1.00 32.13 H new ATOM 0 HB3 ASP A 42 3.794 -14.211 -17.237 1.00 32.13 H new ATOM 645 N GLU A 43 6.378 -13.510 -15.642 1.00 23.43 N ATOM 646 CA GLU A 43 7.249 -12.353 -15.716 1.00 14.40 C ATOM 647 C GLU A 43 6.649 -11.286 -16.626 1.00 15.21 C ATOM 648 O GLU A 43 6.188 -11.575 -17.735 1.00 44.25 O ATOM 649 CB GLU A 43 8.649 -12.765 -16.203 1.00 33.01 C ATOM 650 CG GLU A 43 8.712 -13.321 -17.626 1.00 73.20 C ATOM 651 CD GLU A 43 7.895 -14.585 -17.827 1.00 40.32 C ATOM 652 OE1 GLU A 43 7.816 -15.408 -16.892 1.00 2.24 O ATOM 653 OE2 GLU A 43 7.314 -14.749 -18.919 1.00 62.25 O ATOM 0 H GLU A 43 6.820 -14.382 -15.934 1.00 23.43 H new ATOM 0 HA GLU A 43 7.346 -11.929 -14.717 1.00 14.40 H new ATOM 0 HB2 GLU A 43 9.306 -11.898 -16.141 1.00 33.01 H new ATOM 0 HB3 GLU A 43 9.046 -13.516 -15.520 1.00 33.01 H new ATOM 0 HG2 GLU A 43 8.360 -12.558 -18.320 1.00 73.20 H new ATOM 0 HG3 GLU A 43 9.752 -13.527 -17.880 1.00 73.20 H new ATOM 660 N GLY A 44 6.623 -10.057 -16.138 1.00 13.34 N ATOM 661 CA GLY A 44 6.081 -8.972 -16.921 1.00 61.14 C ATOM 662 C GLY A 44 4.784 -8.427 -16.357 1.00 61.34 C ATOM 663 O GLY A 44 4.440 -7.270 -16.606 1.00 53.13 O ATOM 0 H GLY A 44 6.967 -9.793 -15.215 1.00 13.34 H new ATOM 0 HA2 GLY A 44 6.814 -8.167 -16.974 1.00 61.14 H new ATOM 0 HA3 GLY A 44 5.911 -9.316 -17.941 1.00 61.14 H new ATOM 667 N GLN A 45 4.050 -9.243 -15.599 1.00 32.21 N ATOM 668 CA GLN A 45 2.782 -8.780 -15.043 1.00 22.33 C ATOM 669 C GLN A 45 3.015 -7.946 -13.783 1.00 65.22 C ATOM 670 O GLN A 45 3.907 -8.241 -12.980 1.00 72.54 O ATOM 671 CB GLN A 45 1.835 -9.953 -14.745 1.00 40.33 C ATOM 672 CG GLN A 45 2.258 -10.817 -13.573 1.00 23.02 C ATOM 673 CD GLN A 45 1.259 -11.916 -13.271 1.00 35.30 C ATOM 674 OE1 GLN A 45 0.064 -11.771 -13.511 1.00 23.14 O ATOM 675 NE2 GLN A 45 1.744 -13.021 -12.733 1.00 33.10 N ATOM 0 H GLN A 45 4.304 -10.202 -15.362 1.00 32.21 H new ATOM 0 HA GLN A 45 2.305 -8.150 -15.794 1.00 22.33 H new ATOM 0 HB2 GLN A 45 0.838 -9.558 -14.549 1.00 40.33 H new ATOM 0 HB3 GLN A 45 1.761 -10.579 -15.634 1.00 40.33 H new ATOM 0 HG2 GLN A 45 3.230 -11.262 -13.786 1.00 23.02 H new ATOM 0 HG3 GLN A 45 2.382 -10.190 -12.690 1.00 23.02 H new ATOM 0 HE21 GLN A 45 2.744 -13.102 -12.549 1.00 33.10 H new ATOM 0 HE22 GLN A 45 1.118 -13.793 -12.502 1.00 33.10 H new ATOM 684 N ALA A 46 2.219 -6.898 -13.625 1.00 62.25 N ATOM 685 CA ALA A 46 2.324 -6.022 -12.467 1.00 13.31 C ATOM 686 C ALA A 46 1.290 -6.411 -11.422 1.00 12.20 C ATOM 687 O ALA A 46 0.131 -6.665 -11.753 1.00 21.42 O ATOM 688 CB ALA A 46 2.146 -4.568 -12.881 1.00 3.23 C ATOM 0 H ALA A 46 1.490 -6.633 -14.288 1.00 62.25 H new ATOM 0 HA ALA A 46 3.317 -6.134 -12.032 1.00 13.31 H new ATOM 0 HB1 ALA A 46 2.227 -3.927 -12.003 1.00 3.23 H new ATOM 0 HB2 ALA A 46 2.919 -4.297 -13.601 1.00 3.23 H new ATOM 0 HB3 ALA A 46 1.164 -4.437 -13.336 1.00 3.23 H new ATOM 694 N VAL A 47 1.710 -6.466 -10.167 1.00 33.25 N ATOM 695 CA VAL A 47 0.828 -6.881 -9.085 1.00 73.51 C ATOM 696 C VAL A 47 1.105 -6.092 -7.813 1.00 64.42 C ATOM 697 O VAL A 47 2.109 -5.383 -7.705 1.00 51.21 O ATOM 698 CB VAL A 47 0.970 -8.391 -8.766 1.00 32.23 C ATOM 699 CG1 VAL A 47 0.437 -9.247 -9.906 1.00 33.23 C ATOM 700 CG2 VAL A 47 2.421 -8.746 -8.458 1.00 61.14 C ATOM 0 H VAL A 47 2.657 -6.228 -9.872 1.00 33.25 H new ATOM 0 HA VAL A 47 -0.187 -6.684 -9.430 1.00 73.51 H new ATOM 0 HB VAL A 47 0.371 -8.602 -7.880 1.00 32.23 H new ATOM 0 HG11 VAL A 47 0.550 -10.301 -9.653 1.00 33.23 H new ATOM 0 HG12 VAL A 47 -0.618 -9.024 -10.066 1.00 33.23 H new ATOM 0 HG13 VAL A 47 0.996 -9.030 -10.816 1.00 33.23 H new ATOM 0 HG21 VAL A 47 2.496 -9.811 -8.237 1.00 61.14 H new ATOM 0 HG22 VAL A 47 3.044 -8.509 -9.320 1.00 61.14 H new ATOM 0 HG23 VAL A 47 2.761 -8.172 -7.596 1.00 61.14 H new ATOM 710 N THR A 48 0.197 -6.211 -6.863 1.00 34.11 N ATOM 711 CA THR A 48 0.393 -5.666 -5.534 1.00 54.20 C ATOM 712 C THR A 48 0.624 -6.826 -4.573 1.00 51.42 C ATOM 713 O THR A 48 -0.016 -7.865 -4.695 1.00 21.44 O ATOM 714 CB THR A 48 -0.824 -4.830 -5.094 1.00 43.35 C ATOM 715 OG1 THR A 48 -1.136 -3.878 -6.122 1.00 72.01 O ATOM 716 CG2 THR A 48 -0.551 -4.096 -3.788 1.00 3.34 C ATOM 0 H THR A 48 -0.696 -6.687 -6.991 1.00 34.11 H new ATOM 0 HA THR A 48 1.257 -5.002 -5.533 1.00 54.20 H new ATOM 0 HB THR A 48 -1.665 -5.504 -4.933 1.00 43.35 H new ATOM 0 HG1 THR A 48 -1.911 -3.344 -5.849 1.00 72.01 H new ATOM 0 HG21 THR A 48 -1.430 -3.516 -3.506 1.00 3.34 H new ATOM 0 HG22 THR A 48 -0.327 -4.819 -3.004 1.00 3.34 H new ATOM 0 HG23 THR A 48 0.299 -3.427 -3.918 1.00 3.34 H new ATOM 724 N PHE A 49 1.548 -6.667 -3.645 1.00 44.02 N ATOM 725 CA PHE A 49 1.986 -7.782 -2.822 1.00 71.12 C ATOM 726 C PHE A 49 2.215 -7.333 -1.392 1.00 70.12 C ATOM 727 O PHE A 49 2.641 -6.208 -1.160 1.00 22.11 O ATOM 728 CB PHE A 49 3.296 -8.328 -3.391 1.00 0.25 C ATOM 729 CG PHE A 49 3.343 -9.820 -3.524 1.00 11.44 C ATOM 730 CD1 PHE A 49 2.829 -10.637 -2.537 1.00 62.21 C ATOM 731 CD2 PHE A 49 3.917 -10.402 -4.639 1.00 61.33 C ATOM 732 CE1 PHE A 49 2.880 -12.008 -2.662 1.00 43.25 C ATOM 733 CE2 PHE A 49 3.971 -11.774 -4.768 1.00 14.12 C ATOM 734 CZ PHE A 49 3.456 -12.577 -3.776 1.00 43.41 C ATOM 0 H PHE A 49 2.010 -5.781 -3.441 1.00 44.02 H new ATOM 0 HA PHE A 49 1.215 -8.553 -2.827 1.00 71.12 H new ATOM 0 HB2 PHE A 49 3.465 -7.883 -4.372 1.00 0.25 H new ATOM 0 HB3 PHE A 49 4.117 -8.007 -2.750 1.00 0.25 H new ATOM 0 HD1 PHE A 49 2.382 -10.197 -1.658 1.00 62.21 H new ATOM 0 HD2 PHE A 49 4.327 -9.776 -5.417 1.00 61.33 H new ATOM 0 HE1 PHE A 49 2.468 -12.637 -1.886 1.00 43.25 H new ATOM 0 HE2 PHE A 49 4.417 -12.218 -5.646 1.00 14.12 H new ATOM 0 HZ PHE A 49 3.504 -13.652 -3.871 1.00 43.41 H new ATOM 744 N ASP A 50 1.933 -8.193 -0.431 1.00 62.31 N ATOM 745 CA ASP A 50 2.335 -7.908 0.938 1.00 71.31 C ATOM 746 C ASP A 50 3.649 -8.632 1.214 1.00 55.13 C ATOM 747 O ASP A 50 3.971 -9.612 0.540 1.00 45.21 O ATOM 748 CB ASP A 50 1.254 -8.318 1.938 1.00 4.44 C ATOM 749 CG ASP A 50 1.517 -7.758 3.321 1.00 53.32 C ATOM 750 OD1 ASP A 50 1.225 -6.562 3.551 1.00 41.05 O ATOM 751 OD2 ASP A 50 2.024 -8.503 4.179 1.00 23.50 O ATOM 0 H ASP A 50 1.439 -9.075 -0.565 1.00 62.31 H new ATOM 0 HA ASP A 50 2.475 -6.834 1.059 1.00 71.31 H new ATOM 0 HB2 ASP A 50 0.283 -7.970 1.585 1.00 4.44 H new ATOM 0 HB3 ASP A 50 1.203 -9.406 1.991 1.00 4.44 H new ATOM 756 N VAL A 51 4.422 -8.161 2.179 1.00 3.35 N ATOM 757 CA VAL A 51 5.761 -8.695 2.371 1.00 12.42 C ATOM 758 C VAL A 51 6.045 -9.045 3.830 1.00 32.12 C ATOM 759 O VAL A 51 5.782 -8.262 4.741 1.00 51.14 O ATOM 760 CB VAL A 51 6.840 -7.716 1.836 1.00 34.54 C ATOM 761 CG1 VAL A 51 6.770 -6.372 2.546 1.00 1.33 C ATOM 762 CG2 VAL A 51 8.234 -8.321 1.959 1.00 12.32 C ATOM 0 H VAL A 51 4.153 -7.424 2.831 1.00 3.35 H new ATOM 0 HA VAL A 51 5.809 -9.619 1.795 1.00 12.42 H new ATOM 0 HB VAL A 51 6.635 -7.545 0.779 1.00 34.54 H new ATOM 0 HG11 VAL A 51 7.539 -5.710 2.148 1.00 1.33 H new ATOM 0 HG12 VAL A 51 5.788 -5.926 2.385 1.00 1.33 H new ATOM 0 HG13 VAL A 51 6.933 -6.516 3.614 1.00 1.33 H new ATOM 0 HG21 VAL A 51 8.972 -7.615 1.577 1.00 12.32 H new ATOM 0 HG22 VAL A 51 8.446 -8.537 3.006 1.00 12.32 H new ATOM 0 HG23 VAL A 51 8.282 -9.244 1.381 1.00 12.32 H new ATOM 772 N GLU A 52 6.568 -10.243 4.028 1.00 30.32 N ATOM 773 CA GLU A 52 7.039 -10.689 5.326 1.00 62.05 C ATOM 774 C GLU A 52 8.525 -11.000 5.235 1.00 54.22 C ATOM 775 O GLU A 52 8.929 -12.026 4.680 1.00 63.20 O ATOM 776 CB GLU A 52 6.274 -11.932 5.786 1.00 3.25 C ATOM 777 CG GLU A 52 4.830 -11.665 6.177 1.00 60.33 C ATOM 778 CD GLU A 52 4.708 -10.799 7.415 1.00 62.01 C ATOM 779 OE1 GLU A 52 5.393 -11.090 8.420 1.00 31.24 O ATOM 780 OE2 GLU A 52 3.910 -9.844 7.406 1.00 34.31 O ATOM 0 H GLU A 52 6.678 -10.937 3.288 1.00 30.32 H new ATOM 0 HA GLU A 52 6.869 -9.897 6.056 1.00 62.05 H new ATOM 0 HB2 GLU A 52 6.291 -12.672 4.986 1.00 3.25 H new ATOM 0 HB3 GLU A 52 6.794 -12.371 6.638 1.00 3.25 H new ATOM 0 HG2 GLU A 52 4.317 -11.179 5.347 1.00 60.33 H new ATOM 0 HG3 GLU A 52 4.324 -12.614 6.352 1.00 60.33 H new ATOM 787 N GLU A 53 9.343 -10.099 5.747 1.00 23.15 N ATOM 788 CA GLU A 53 10.781 -10.266 5.656 1.00 24.43 C ATOM 789 C GLU A 53 11.248 -11.375 6.586 1.00 73.31 C ATOM 790 O GLU A 53 10.999 -11.339 7.795 1.00 71.35 O ATOM 791 CB GLU A 53 11.507 -8.957 5.964 1.00 33.00 C ATOM 792 CG GLU A 53 11.149 -7.827 5.008 1.00 11.23 C ATOM 793 CD GLU A 53 11.951 -6.566 5.260 1.00 13.41 C ATOM 794 OE1 GLU A 53 12.122 -6.192 6.439 1.00 15.34 O ATOM 795 OE2 GLU A 53 12.420 -5.944 4.284 1.00 11.01 O ATOM 0 H GLU A 53 9.040 -9.251 6.226 1.00 23.15 H new ATOM 0 HA GLU A 53 11.026 -10.549 4.632 1.00 24.43 H new ATOM 0 HB2 GLU A 53 11.270 -8.650 6.983 1.00 33.00 H new ATOM 0 HB3 GLU A 53 12.583 -9.129 5.925 1.00 33.00 H new ATOM 0 HG2 GLU A 53 11.315 -8.159 3.983 1.00 11.23 H new ATOM 0 HG3 GLU A 53 10.087 -7.601 5.102 1.00 11.23 H new ATOM 802 N GLY A 54 11.917 -12.362 6.007 1.00 45.21 N ATOM 803 CA GLY A 54 12.364 -13.510 6.763 1.00 61.11 C ATOM 804 C GLY A 54 13.697 -13.273 7.438 1.00 25.23 C ATOM 805 O GLY A 54 14.026 -12.143 7.805 1.00 2.03 O ATOM 0 H GLY A 54 12.159 -12.386 5.016 1.00 45.21 H new ATOM 0 HA2 GLY A 54 11.617 -13.758 7.517 1.00 61.11 H new ATOM 0 HA3 GLY A 54 12.444 -14.370 6.099 1.00 61.11 H new ATOM 809 N GLN A 55 14.479 -14.331 7.578 1.00 43.11 N ATOM 810 CA GLN A 55 15.732 -14.260 8.314 1.00 45.31 C ATOM 811 C GLN A 55 16.812 -13.565 7.495 1.00 12.43 C ATOM 812 O GLN A 55 17.652 -12.846 8.039 1.00 63.30 O ATOM 813 CB GLN A 55 16.192 -15.663 8.700 1.00 35.24 C ATOM 814 CG GLN A 55 15.165 -16.431 9.517 1.00 32.43 C ATOM 815 CD GLN A 55 15.647 -17.811 9.909 1.00 15.22 C ATOM 816 OE1 GLN A 55 16.845 -18.035 10.079 1.00 33.11 O ATOM 817 NE2 GLN A 55 14.722 -18.743 10.064 1.00 74.12 N ATOM 0 H GLN A 55 14.268 -15.251 7.191 1.00 43.11 H new ATOM 0 HA GLN A 55 15.561 -13.675 9.218 1.00 45.31 H new ATOM 0 HB2 GLN A 55 16.419 -16.225 7.794 1.00 35.24 H new ATOM 0 HB3 GLN A 55 17.118 -15.590 9.270 1.00 35.24 H new ATOM 0 HG2 GLN A 55 14.925 -15.865 10.417 1.00 32.43 H new ATOM 0 HG3 GLN A 55 14.243 -16.522 8.942 1.00 32.43 H new ATOM 0 HE21 GLN A 55 13.739 -18.516 9.913 1.00 74.12 H new ATOM 0 HE22 GLN A 55 14.991 -19.689 10.334 1.00 74.12 H new ATOM 826 N ARG A 56 16.780 -13.769 6.184 1.00 72.01 N ATOM 827 CA ARG A 56 17.804 -13.211 5.308 1.00 31.04 C ATOM 828 C ARG A 56 17.234 -12.832 3.942 1.00 3.42 C ATOM 829 O ARG A 56 17.967 -12.747 2.959 1.00 23.20 O ATOM 830 CB ARG A 56 18.966 -14.210 5.168 1.00 53.13 C ATOM 831 CG ARG A 56 18.535 -15.635 4.829 1.00 53.44 C ATOM 832 CD ARG A 56 18.272 -15.819 3.344 1.00 15.14 C ATOM 833 NE ARG A 56 17.717 -17.138 3.051 1.00 24.55 N ATOM 834 CZ ARG A 56 18.036 -17.862 1.978 1.00 25.43 C ATOM 835 NH1 ARG A 56 18.965 -17.434 1.131 1.00 60.14 N ATOM 836 NH2 ARG A 56 17.434 -19.023 1.764 1.00 24.11 N ATOM 0 H ARG A 56 16.062 -14.313 5.706 1.00 72.01 H new ATOM 0 HA ARG A 56 18.179 -12.292 5.759 1.00 31.04 H new ATOM 0 HB2 ARG A 56 19.644 -13.854 4.392 1.00 53.13 H new ATOM 0 HB3 ARG A 56 19.530 -14.226 6.101 1.00 53.13 H new ATOM 0 HG2 ARG A 56 19.310 -16.332 5.148 1.00 53.44 H new ATOM 0 HG3 ARG A 56 17.633 -15.883 5.389 1.00 53.44 H new ATOM 0 HD2 ARG A 56 17.582 -15.049 2.999 1.00 15.14 H new ATOM 0 HD3 ARG A 56 19.202 -15.685 2.791 1.00 15.14 H new ATOM 0 HE ARG A 56 17.043 -17.530 3.709 1.00 24.55 H new ATOM 0 HH11 ARG A 56 19.439 -16.547 1.300 1.00 60.14 H new ATOM 0 HH12 ARG A 56 19.205 -17.993 0.312 1.00 60.14 H new ATOM 0 HH21 ARG A 56 16.729 -19.360 2.419 1.00 24.11 H new ATOM 0 HH22 ARG A 56 17.676 -19.579 0.944 1.00 24.11 H new ATOM 850 N GLY A 57 15.930 -12.591 3.882 1.00 24.32 N ATOM 851 CA GLY A 57 15.314 -12.221 2.620 1.00 62.00 C ATOM 852 C GLY A 57 13.854 -11.842 2.768 1.00 30.31 C ATOM 853 O GLY A 57 13.119 -12.487 3.520 1.00 22.42 O ATOM 0 H GLY A 57 15.292 -12.644 4.676 1.00 24.32 H new ATOM 0 HA2 GLY A 57 15.860 -11.383 2.186 1.00 62.00 H new ATOM 0 HA3 GLY A 57 15.400 -13.053 1.921 1.00 62.00 H new ATOM 857 N PRO A 58 13.409 -10.779 2.076 1.00 43.22 N ATOM 858 CA PRO A 58 12.010 -10.353 2.078 1.00 62.22 C ATOM 859 C PRO A 58 11.128 -11.293 1.266 1.00 30.10 C ATOM 860 O PRO A 58 11.177 -11.299 0.035 1.00 61.41 O ATOM 861 CB PRO A 58 12.036 -8.958 1.435 1.00 40.43 C ATOM 862 CG PRO A 58 13.478 -8.599 1.296 1.00 3.03 C ATOM 863 CD PRO A 58 14.236 -9.895 1.249 1.00 43.45 C ATOM 0 HA PRO A 58 11.593 -10.353 3.085 1.00 62.22 H new ATOM 0 HB2 PRO A 58 11.540 -8.966 0.464 1.00 40.43 H new ATOM 0 HB3 PRO A 58 11.511 -8.232 2.055 1.00 40.43 H new ATOM 0 HG2 PRO A 58 13.648 -8.017 0.390 1.00 3.03 H new ATOM 0 HG3 PRO A 58 13.808 -7.986 2.135 1.00 3.03 H new ATOM 0 HD2 PRO A 58 14.336 -10.269 0.230 1.00 43.45 H new ATOM 0 HD3 PRO A 58 15.244 -9.790 1.650 1.00 43.45 H new ATOM 871 N GLN A 59 10.332 -12.095 1.955 1.00 74.11 N ATOM 872 CA GLN A 59 9.456 -13.038 1.283 1.00 42.21 C ATOM 873 C GLN A 59 8.050 -12.470 1.190 1.00 54.21 C ATOM 874 O GLN A 59 7.518 -11.940 2.159 1.00 31.21 O ATOM 875 CB GLN A 59 9.455 -14.381 2.014 1.00 34.11 C ATOM 876 CG GLN A 59 10.818 -15.060 2.013 1.00 11.44 C ATOM 877 CD GLN A 59 10.818 -16.395 2.730 1.00 42.01 C ATOM 878 OE1 GLN A 59 10.565 -17.437 2.128 1.00 24.33 O ATOM 879 NE2 GLN A 59 11.108 -16.373 4.019 1.00 30.32 N ATOM 0 H GLN A 59 10.275 -12.111 2.973 1.00 74.11 H new ATOM 0 HA GLN A 59 9.827 -13.205 0.272 1.00 42.21 H new ATOM 0 HB2 GLN A 59 9.132 -14.228 3.044 1.00 34.11 H new ATOM 0 HB3 GLN A 59 8.725 -15.042 1.547 1.00 34.11 H new ATOM 0 HG2 GLN A 59 11.143 -15.208 0.983 1.00 11.44 H new ATOM 0 HG3 GLN A 59 11.546 -14.401 2.486 1.00 11.44 H new ATOM 0 HE21 GLN A 59 11.312 -15.487 4.481 1.00 30.32 H new ATOM 0 HE22 GLN A 59 11.128 -17.242 4.552 1.00 30.32 H new ATOM 888 N ALA A 60 7.454 -12.587 0.024 1.00 33.35 N ATOM 889 CA ALA A 60 6.175 -11.959 -0.235 1.00 53.04 C ATOM 890 C ALA A 60 5.019 -12.923 -0.015 1.00 2.01 C ATOM 891 O ALA A 60 5.137 -14.127 -0.263 1.00 61.00 O ATOM 892 CB ALA A 60 6.146 -11.402 -1.647 1.00 22.43 C ATOM 0 H ALA A 60 7.835 -13.113 -0.763 1.00 33.35 H new ATOM 0 HA ALA A 60 6.053 -11.140 0.474 1.00 53.04 H new ATOM 0 HB1 ALA A 60 5.180 -10.932 -1.833 1.00 22.43 H new ATOM 0 HB2 ALA A 60 6.938 -10.662 -1.763 1.00 22.43 H new ATOM 0 HB3 ALA A 60 6.299 -12.212 -2.361 1.00 22.43 H new ATOM 898 N ALA A 61 3.907 -12.378 0.451 1.00 52.32 N ATOM 899 CA ALA A 61 2.694 -13.142 0.666 1.00 61.45 C ATOM 900 C ALA A 61 1.484 -12.273 0.357 1.00 32.35 C ATOM 901 O ALA A 61 1.583 -11.050 0.390 1.00 0.55 O ATOM 902 CB ALA A 61 2.634 -13.650 2.093 1.00 54.23 C ATOM 0 H ALA A 61 3.822 -11.390 0.691 1.00 52.32 H new ATOM 0 HA ALA A 61 2.692 -14.004 -0.001 1.00 61.45 H new ATOM 0 HB1 ALA A 61 1.717 -14.221 2.238 1.00 54.23 H new ATOM 0 HB2 ALA A 61 3.495 -14.290 2.288 1.00 54.23 H new ATOM 0 HB3 ALA A 61 2.647 -12.805 2.781 1.00 54.23 H new ATOM 908 N ASN A 62 0.349 -12.907 0.073 1.00 11.44 N ATOM 909 CA ASN A 62 -0.877 -12.197 -0.316 1.00 51.31 C ATOM 910 C ASN A 62 -0.671 -11.447 -1.623 1.00 31.33 C ATOM 911 O ASN A 62 -0.215 -10.297 -1.627 1.00 1.32 O ATOM 912 CB ASN A 62 -1.342 -11.192 0.751 1.00 43.42 C ATOM 913 CG ASN A 62 -1.452 -11.785 2.134 1.00 12.31 C ATOM 914 OD1 ASN A 62 -2.494 -12.317 2.524 1.00 30.40 O ATOM 915 ND2 ASN A 62 -0.380 -11.673 2.894 1.00 12.12 N ATOM 0 H ASN A 62 0.248 -13.922 0.104 1.00 11.44 H new ATOM 0 HA ASN A 62 -1.646 -12.961 -0.430 1.00 51.31 H new ATOM 0 HB2 ASN A 62 -0.644 -10.355 0.778 1.00 43.42 H new ATOM 0 HB3 ASN A 62 -2.312 -10.789 0.460 1.00 43.42 H new ATOM 0 HD21 ASN A 62 -0.391 -12.035 3.848 1.00 12.12 H new ATOM 0 HD22 ASN A 62 0.460 -11.225 2.528 1.00 12.12 H new ATOM 922 N VAL A 63 -0.966 -12.110 -2.735 1.00 70.34 N ATOM 923 CA VAL A 63 -0.937 -11.449 -4.029 1.00 54.30 C ATOM 924 C VAL A 63 -2.248 -10.709 -4.273 1.00 63.21 C ATOM 925 O VAL A 63 -3.324 -11.213 -3.952 1.00 11.54 O ATOM 926 CB VAL A 63 -0.719 -12.450 -5.194 1.00 24.41 C ATOM 927 CG1 VAL A 63 -0.691 -11.734 -6.537 1.00 34.34 C ATOM 928 CG2 VAL A 63 0.558 -13.243 -5.012 1.00 74.41 C ATOM 0 H VAL A 63 -1.226 -13.096 -2.765 1.00 70.34 H new ATOM 0 HA VAL A 63 -0.099 -10.752 -4.006 1.00 54.30 H new ATOM 0 HB VAL A 63 -1.562 -13.141 -5.181 1.00 24.41 H new ATOM 0 HG11 VAL A 63 -0.537 -12.461 -7.334 1.00 34.34 H new ATOM 0 HG12 VAL A 63 -1.639 -11.219 -6.694 1.00 34.34 H new ATOM 0 HG13 VAL A 63 0.122 -11.008 -6.546 1.00 34.34 H new ATOM 0 HG21 VAL A 63 0.679 -13.934 -5.846 1.00 74.41 H new ATOM 0 HG22 VAL A 63 1.408 -12.561 -4.979 1.00 74.41 H new ATOM 0 HG23 VAL A 63 0.508 -13.805 -4.079 1.00 74.41 H new ATOM 938 N GLN A 64 -2.149 -9.512 -4.816 1.00 11.03 N ATOM 939 CA GLN A 64 -3.308 -8.789 -5.304 1.00 35.22 C ATOM 940 C GLN A 64 -3.086 -8.444 -6.772 1.00 0.44 C ATOM 941 O GLN A 64 -2.075 -7.837 -7.130 1.00 20.34 O ATOM 942 CB GLN A 64 -3.540 -7.518 -4.484 1.00 43.52 C ATOM 943 CG GLN A 64 -4.777 -6.742 -4.904 1.00 4.41 C ATOM 944 CD GLN A 64 -4.908 -5.415 -4.187 1.00 61.24 C ATOM 945 OE1 GLN A 64 -4.408 -4.393 -4.656 1.00 71.21 O ATOM 946 NE2 GLN A 64 -5.587 -5.416 -3.052 1.00 10.35 N ATOM 0 H GLN A 64 -1.266 -9.014 -4.931 1.00 11.03 H new ATOM 0 HA GLN A 64 -4.195 -9.414 -5.202 1.00 35.22 H new ATOM 0 HB2 GLN A 64 -3.629 -7.786 -3.431 1.00 43.52 H new ATOM 0 HB3 GLN A 64 -2.667 -6.872 -4.576 1.00 43.52 H new ATOM 0 HG2 GLN A 64 -4.743 -6.567 -5.979 1.00 4.41 H new ATOM 0 HG3 GLN A 64 -5.663 -7.345 -4.707 1.00 4.41 H new ATOM 0 HE21 GLN A 64 -5.986 -6.285 -2.697 1.00 10.35 H new ATOM 0 HE22 GLN A 64 -5.712 -4.548 -2.532 1.00 10.35 H new ATOM 955 N LYS A 65 -4.021 -8.837 -7.620 1.00 25.10 N ATOM 956 CA LYS A 65 -3.866 -8.658 -9.053 1.00 11.02 C ATOM 957 C LYS A 65 -4.138 -7.212 -9.440 1.00 72.14 C ATOM 958 O LYS A 65 -5.119 -6.611 -8.993 1.00 12.22 O ATOM 959 CB LYS A 65 -4.806 -9.597 -9.811 1.00 33.12 C ATOM 960 CG LYS A 65 -4.464 -9.752 -11.284 1.00 51.23 C ATOM 961 CD LYS A 65 -3.070 -10.328 -11.467 1.00 64.22 C ATOM 962 CE LYS A 65 -2.786 -10.671 -12.923 1.00 14.32 C ATOM 963 NZ LYS A 65 -3.666 -11.760 -13.421 1.00 73.13 N ATOM 0 H LYS A 65 -4.895 -9.282 -7.341 1.00 25.10 H new ATOM 0 HA LYS A 65 -2.839 -8.902 -9.323 1.00 11.02 H new ATOM 0 HB2 LYS A 65 -4.783 -10.578 -9.337 1.00 33.12 H new ATOM 0 HB3 LYS A 65 -5.826 -9.224 -9.722 1.00 33.12 H new ATOM 0 HG2 LYS A 65 -5.195 -10.403 -11.763 1.00 51.23 H new ATOM 0 HG3 LYS A 65 -4.528 -8.783 -11.779 1.00 51.23 H new ATOM 0 HD2 LYS A 65 -2.331 -9.610 -11.112 1.00 64.22 H new ATOM 0 HD3 LYS A 65 -2.964 -11.224 -10.855 1.00 64.22 H new ATOM 0 HE2 LYS A 65 -2.925 -9.782 -13.539 1.00 14.32 H new ATOM 0 HE3 LYS A 65 -1.743 -10.971 -13.028 1.00 14.32 H new ATOM 0 HZ1 LYS A 65 -3.082 -12.544 -13.776 1.00 73.13 H new ATOM 0 HZ2 LYS A 65 -4.269 -12.101 -12.645 1.00 73.13 H new ATOM 0 HZ3 LYS A 65 -4.264 -11.398 -14.191 1.00 73.13 H new ATOM 977 N ALA A 66 -3.259 -6.652 -10.253 1.00 1.23 N ATOM 978 CA ALA A 66 -3.404 -5.282 -10.701 1.00 73.42 C ATOM 979 C ALA A 66 -3.708 -5.246 -12.190 1.00 52.13 C ATOM 980 O ALA A 66 -4.901 -5.263 -12.550 1.00 20.54 O ATOM 981 CB ALA A 66 -2.148 -4.487 -10.380 1.00 74.40 C ATOM 982 OXT ALA A 66 -2.758 -5.219 -12.996 1.00 0.00 O ATOM 0 H ALA A 66 -2.434 -7.130 -10.617 1.00 1.23 H new ATOM 0 HA ALA A 66 -4.239 -4.823 -10.173 1.00 73.42 H new ATOM 0 HB1 ALA A 66 -2.271 -3.459 -10.722 1.00 74.40 H new ATOM 0 HB2 ALA A 66 -1.979 -4.493 -9.303 1.00 74.40 H new ATOM 0 HB3 ALA A 66 -1.293 -4.938 -10.884 1.00 74.40 H new