USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 592 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 4 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.63) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00635 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.64) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.934 (180deg=-0.934) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.08 K(o=-2.1,f=-13!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 82 MET CE :methyl -129:sc= -0.345 (180deg=-1.28) USER MOD Single : A 83 ASN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 87 LYS NZ :NH3+ -151:sc= 0.793 (180deg=0.115) USER MOD Single : A 89 THR OG1 : rot -140:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 127:sc= 0.473 USER MOD Single : A 92 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.5) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.707 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.263 F(o=-1.4,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.685 -3.104 4.260 1.00 42.24 N ATOM 19 CA ALA A 3 10.267 -4.498 4.193 1.00 11.04 C ATOM 20 C ALA A 3 9.586 -4.930 5.488 1.00 60.32 C ATOM 21 O ALA A 3 10.070 -5.818 6.186 1.00 23.11 O ATOM 22 CB ALA A 3 11.461 -5.395 3.898 1.00 61.11 C ATOM 0 HA ALA A 3 9.545 -4.596 3.383 1.00 11.04 H new ATOM 0 HB1 ALA A 3 11.133 -6.433 3.851 1.00 61.11 H new ATOM 0 HB2 ALA A 3 11.903 -5.110 2.943 1.00 61.11 H new ATOM 0 HB3 ALA A 3 12.203 -5.284 4.688 1.00 61.11 H new ATOM 28 N GLN A 4 8.460 -4.294 5.799 1.00 51.44 N ATOM 29 CA GLN A 4 7.715 -4.613 7.011 1.00 74.53 C ATOM 30 C GLN A 4 6.639 -5.656 6.728 1.00 4.13 C ATOM 31 O GLN A 4 5.898 -5.551 5.751 1.00 15.24 O ATOM 32 CB GLN A 4 7.077 -3.348 7.588 1.00 2.30 C ATOM 33 CG GLN A 4 7.466 -3.077 9.033 1.00 12.22 C ATOM 34 CD GLN A 4 6.770 -1.858 9.606 1.00 61.03 C ATOM 35 OE1 GLN A 4 5.447 -1.823 9.491 1.00 72.34 O flip ATOM 36 NE2 GLN A 4 7.413 -0.958 10.146 1.00 71.44 N flip ATOM 0 H GLN A 4 8.045 -3.557 5.229 1.00 51.44 H new ATOM 0 HA GLN A 4 8.412 -5.025 7.740 1.00 74.53 H new ATOM 0 HB2 GLN A 4 7.366 -2.493 6.976 1.00 2.30 H new ATOM 0 HB3 GLN A 4 5.992 -3.435 7.522 1.00 2.30 H new ATOM 0 HG2 GLN A 4 7.222 -3.949 9.640 1.00 12.22 H new ATOM 0 HG3 GLN A 4 8.545 -2.937 9.095 1.00 12.22 H new ATOM 0 HE21 GLN A 4 8.429 -1.026 10.213 1.00 71.44 H new ATOM 0 HE22 GLN A 4 6.930 -0.144 10.527 1.00 71.44 H new ATOM 43 N ASN A 5 6.558 -6.664 7.592 1.00 23.41 N ATOM 44 CA ASN A 5 5.573 -7.727 7.434 1.00 44.22 C ATOM 45 C ASN A 5 4.278 -7.381 8.164 1.00 2.30 C ATOM 46 O ASN A 5 4.276 -7.166 9.377 1.00 13.21 O ATOM 47 CB ASN A 5 6.132 -9.050 7.962 1.00 62.42 C ATOM 48 CG ASN A 5 6.779 -8.902 9.326 1.00 61.23 C ATOM 49 OD1 ASN A 5 7.975 -8.633 9.431 1.00 10.20 O ATOM 50 ND2 ASN A 5 5.988 -9.076 10.378 1.00 41.43 N ATOM 0 H ASN A 5 7.162 -6.766 8.407 1.00 23.41 H new ATOM 0 HA ASN A 5 5.353 -7.831 6.371 1.00 44.22 H new ATOM 0 HB2 ASN A 5 5.327 -9.783 8.022 1.00 62.42 H new ATOM 0 HB3 ASN A 5 6.865 -9.439 7.256 1.00 62.42 H new ATOM 0 HD21 ASN A 5 6.367 -8.988 11.321 1.00 41.43 H new ATOM 0 HD22 ASN A 5 5.002 -9.298 10.243 1.00 41.43 H new ATOM 56 N ILE A 6 3.180 -7.332 7.420 1.00 71.33 N ATOM 57 CA ILE A 6 1.879 -7.014 7.995 1.00 43.33 C ATOM 58 C ILE A 6 0.859 -8.103 7.683 1.00 44.41 C ATOM 59 O ILE A 6 0.600 -8.414 6.520 1.00 51.12 O ATOM 60 CB ILE A 6 1.348 -5.666 7.477 1.00 22.55 C ATOM 61 CG1 ILE A 6 2.233 -4.520 7.970 1.00 34.21 C ATOM 62 CG2 ILE A 6 -0.092 -5.459 7.920 1.00 22.14 C ATOM 63 CD1 ILE A 6 3.402 -4.224 7.057 1.00 34.20 C ATOM 0 H ILE A 6 3.165 -7.509 6.416 1.00 71.33 H new ATOM 0 HA ILE A 6 2.019 -6.949 9.074 1.00 43.33 H new ATOM 0 HB ILE A 6 1.375 -5.677 6.387 1.00 22.55 H new ATOM 0 HG12 ILE A 6 1.626 -3.621 8.072 1.00 34.21 H new ATOM 0 HG13 ILE A 6 2.611 -4.764 8.963 1.00 34.21 H new ATOM 0 HG21 ILE A 6 -0.454 -4.501 7.546 1.00 22.14 H new ATOM 0 HG22 ILE A 6 -0.714 -6.262 7.523 1.00 22.14 H new ATOM 0 HG23 ILE A 6 -0.142 -5.466 9.009 1.00 22.14 H new ATOM 0 HD11 ILE A 6 3.986 -3.401 7.469 1.00 34.20 H new ATOM 0 HD12 ILE A 6 4.032 -5.110 6.974 1.00 34.20 H new ATOM 0 HD13 ILE A 6 3.032 -3.948 6.070 1.00 34.20 H new ATOM 74 N THR A 7 0.280 -8.682 8.732 1.00 44.24 N ATOM 75 CA THR A 7 -0.713 -9.738 8.571 1.00 21.12 C ATOM 76 C THR A 7 -2.127 -9.170 8.593 1.00 33.22 C ATOM 77 O THR A 7 -2.432 -8.271 9.375 1.00 20.35 O ATOM 78 CB THR A 7 -0.582 -10.805 9.673 1.00 32.20 C ATOM 79 OG1 THR A 7 -0.428 -10.175 10.949 1.00 12.43 O ATOM 80 CG2 THR A 7 0.605 -11.718 9.405 1.00 35.33 C ATOM 0 H THR A 7 0.482 -8.437 9.701 1.00 44.24 H new ATOM 0 HA THR A 7 -0.527 -10.203 7.603 1.00 21.12 H new ATOM 0 HB THR A 7 -1.490 -11.408 9.674 1.00 32.20 H new ATOM 0 HG1 THR A 7 -0.347 -10.861 11.645 1.00 12.43 H new ATOM 0 HG21 THR A 7 0.677 -12.463 10.197 1.00 35.33 H new ATOM 0 HG22 THR A 7 0.470 -12.219 8.446 1.00 35.33 H new ATOM 0 HG23 THR A 7 1.520 -11.127 9.379 1.00 35.33 H new ATOM 88 N ALA A 8 -2.987 -9.701 7.730 1.00 31.25 N ATOM 89 CA ALA A 8 -4.370 -9.248 7.654 1.00 32.20 C ATOM 90 C ALA A 8 -5.298 -10.386 7.242 1.00 10.12 C ATOM 91 O ALA A 8 -4.843 -11.443 6.806 1.00 65.30 O ATOM 92 CB ALA A 8 -4.493 -8.086 6.679 1.00 52.02 C ATOM 0 H ALA A 8 -2.750 -10.445 7.074 1.00 31.25 H new ATOM 0 HA ALA A 8 -4.670 -8.909 8.646 1.00 32.20 H new ATOM 0 HB1 ALA A 8 -5.532 -7.758 6.633 1.00 52.02 H new ATOM 0 HB2 ALA A 8 -3.867 -7.260 7.016 1.00 52.02 H new ATOM 0 HB3 ALA A 8 -4.169 -8.406 5.689 1.00 52.02 H new ATOM 98 N ARG A 9 -6.601 -10.162 7.385 1.00 32.25 N ATOM 99 CA ARG A 9 -7.593 -11.170 7.031 1.00 11.30 C ATOM 100 C ARG A 9 -8.552 -10.638 5.970 1.00 21.20 C ATOM 101 O ARG A 9 -8.832 -9.441 5.917 1.00 71.31 O ATOM 102 CB ARG A 9 -8.376 -11.604 8.271 1.00 32.24 C ATOM 103 CG ARG A 9 -8.001 -12.987 8.776 1.00 13.12 C ATOM 104 CD ARG A 9 -7.369 -12.923 10.158 1.00 33.35 C ATOM 105 NE ARG A 9 -7.585 -14.152 10.917 1.00 32.23 N ATOM 106 CZ ARG A 9 -6.978 -15.301 10.642 1.00 1.44 C ATOM 107 NH1 ARG A 9 -6.121 -15.378 9.635 1.00 33.42 N ATOM 108 NH2 ARG A 9 -7.228 -16.376 11.380 1.00 51.53 N ATOM 0 H ARG A 9 -6.994 -9.292 7.743 1.00 32.25 H new ATOM 0 HA ARG A 9 -7.068 -12.033 6.622 1.00 11.30 H new ATOM 0 HB2 ARG A 9 -8.210 -10.879 9.067 1.00 32.24 H new ATOM 0 HB3 ARG A 9 -9.441 -11.587 8.042 1.00 32.24 H new ATOM 0 HG2 ARG A 9 -8.890 -13.617 8.810 1.00 13.12 H new ATOM 0 HG3 ARG A 9 -7.306 -13.454 8.078 1.00 13.12 H new ATOM 0 HD2 ARG A 9 -6.299 -12.742 10.059 1.00 33.35 H new ATOM 0 HD3 ARG A 9 -7.786 -12.079 10.708 1.00 33.35 H new ATOM 0 HE ARG A 9 -8.237 -14.127 11.701 1.00 32.23 H new ATOM 0 HH11 ARG A 9 -5.925 -14.553 9.068 1.00 33.42 H new ATOM 0 HH12 ARG A 9 -5.657 -16.262 9.427 1.00 33.42 H new ATOM 0 HH21 ARG A 9 -7.886 -16.319 12.157 1.00 51.53 H new ATOM 0 HH22 ARG A 9 -6.762 -17.259 11.169 1.00 51.53 H new ATOM 119 N ILE A 10 -9.051 -11.537 5.127 1.00 14.30 N ATOM 120 CA ILE A 10 -9.979 -11.159 4.069 1.00 20.51 C ATOM 121 C ILE A 10 -11.150 -10.357 4.626 1.00 24.51 C ATOM 122 O ILE A 10 -11.895 -10.838 5.479 1.00 63.32 O ATOM 123 CB ILE A 10 -10.522 -12.395 3.328 1.00 60.40 C ATOM 124 CG1 ILE A 10 -9.372 -13.195 2.713 1.00 34.24 C ATOM 125 CG2 ILE A 10 -11.515 -11.974 2.255 1.00 63.11 C ATOM 126 CD1 ILE A 10 -9.691 -14.660 2.521 1.00 73.42 C ATOM 0 H ILE A 10 -8.828 -12.532 5.157 1.00 14.30 H new ATOM 0 HA ILE A 10 -9.421 -10.541 3.365 1.00 20.51 H new ATOM 0 HB ILE A 10 -11.039 -13.032 4.045 1.00 60.40 H new ATOM 0 HG12 ILE A 10 -9.111 -12.759 1.749 1.00 34.24 H new ATOM 0 HG13 ILE A 10 -8.494 -13.103 3.352 1.00 34.24 H new ATOM 0 HG21 ILE A 10 -11.890 -12.858 1.740 1.00 63.11 H new ATOM 0 HG22 ILE A 10 -12.347 -11.443 2.717 1.00 63.11 H new ATOM 0 HG23 ILE A 10 -11.020 -11.319 1.538 1.00 63.11 H new ATOM 0 HD11 ILE A 10 -8.831 -15.165 2.081 1.00 73.42 H new ATOM 0 HD12 ILE A 10 -9.923 -15.111 3.486 1.00 73.42 H new ATOM 0 HD13 ILE A 10 -10.550 -14.761 1.857 1.00 73.42 H new ATOM 137 N GLY A 11 -11.309 -9.131 4.135 1.00 51.42 N ATOM 138 CA GLY A 11 -12.393 -8.283 4.593 1.00 73.31 C ATOM 139 C GLY A 11 -12.018 -7.476 5.820 1.00 72.42 C ATOM 140 O GLY A 11 -12.875 -6.852 6.445 1.00 24.44 O ATOM 0 H GLY A 11 -10.706 -8.711 3.428 1.00 51.42 H new ATOM 0 HA2 GLY A 11 -12.684 -7.605 3.791 1.00 73.31 H new ATOM 0 HA3 GLY A 11 -13.262 -8.900 4.819 1.00 73.31 H new ATOM 144 N GLU A 12 -10.734 -7.487 6.164 1.00 24.12 N ATOM 145 CA GLU A 12 -10.250 -6.750 7.326 1.00 40.43 C ATOM 146 C GLU A 12 -9.554 -5.460 6.901 1.00 62.11 C ATOM 147 O GLU A 12 -8.811 -5.419 5.921 1.00 61.13 O ATOM 148 CB GLU A 12 -9.287 -7.617 8.141 1.00 74.51 C ATOM 149 CG GLU A 12 -9.924 -8.882 8.689 1.00 44.01 C ATOM 150 CD GLU A 12 -11.311 -8.642 9.251 1.00 13.44 C ATOM 151 OE1 GLU A 12 -12.284 -8.678 8.469 1.00 44.41 O ATOM 152 OE2 GLU A 12 -11.423 -8.418 10.475 1.00 5.21 O ATOM 0 H GLU A 12 -10.011 -7.997 5.656 1.00 24.12 H new ATOM 0 HA GLU A 12 -11.109 -6.492 7.945 1.00 40.43 H new ATOM 0 HB2 GLU A 12 -8.438 -7.890 7.514 1.00 74.51 H new ATOM 0 HB3 GLU A 12 -8.895 -7.029 8.971 1.00 74.51 H new ATOM 0 HG2 GLU A 12 -9.982 -9.628 7.896 1.00 44.01 H new ATOM 0 HG3 GLU A 12 -9.286 -9.296 9.470 1.00 44.01 H new ATOM 157 N PRO A 13 -9.801 -4.380 7.656 1.00 15.21 N ATOM 158 CA PRO A 13 -9.209 -3.068 7.378 1.00 41.20 C ATOM 159 C PRO A 13 -7.709 -3.039 7.652 1.00 54.30 C ATOM 160 O PRO A 13 -7.230 -3.657 8.603 1.00 40.40 O ATOM 161 CB PRO A 13 -9.947 -2.134 8.342 1.00 45.13 C ATOM 162 CG PRO A 13 -10.388 -3.016 9.459 1.00 12.15 C ATOM 163 CD PRO A 13 -10.677 -4.355 8.840 1.00 54.04 C ATOM 0 HA PRO A 13 -9.312 -2.789 6.329 1.00 41.20 H new ATOM 0 HB2 PRO A 13 -9.294 -1.338 8.700 1.00 45.13 H new ATOM 0 HB3 PRO A 13 -10.797 -1.655 7.856 1.00 45.13 H new ATOM 0 HG2 PRO A 13 -9.613 -3.098 10.221 1.00 12.15 H new ATOM 0 HG3 PRO A 13 -11.275 -2.613 9.948 1.00 12.15 H new ATOM 0 HD2 PRO A 13 -10.450 -5.172 9.525 1.00 54.04 H new ATOM 0 HD3 PRO A 13 -11.727 -4.452 8.565 1.00 54.04 H new ATOM 168 N LEU A 14 -6.973 -2.316 6.816 1.00 43.13 N ATOM 169 CA LEU A 14 -5.526 -2.207 6.968 1.00 1.23 C ATOM 170 C LEU A 14 -5.039 -0.821 6.555 1.00 30.22 C ATOM 171 O LEU A 14 -5.555 -0.228 5.609 1.00 74.42 O ATOM 172 CB LEU A 14 -4.822 -3.277 6.133 1.00 21.30 C ATOM 173 CG LEU A 14 -3.301 -3.166 6.044 1.00 1.41 C ATOM 174 CD1 LEU A 14 -2.669 -3.380 7.411 1.00 33.11 C ATOM 175 CD2 LEU A 14 -2.750 -4.168 5.039 1.00 4.02 C ATOM 0 H LEU A 14 -7.354 -1.796 6.025 1.00 43.13 H new ATOM 0 HA LEU A 14 -5.284 -2.360 8.020 1.00 1.23 H new ATOM 0 HB2 LEU A 14 -5.071 -4.254 6.547 1.00 21.30 H new ATOM 0 HB3 LEU A 14 -5.228 -3.246 5.122 1.00 21.30 H new ATOM 0 HG LEU A 14 -3.050 -2.162 5.702 1.00 1.41 H new ATOM 0 HD11 LEU A 14 -1.585 -3.297 7.328 1.00 33.11 H new ATOM 0 HD12 LEU A 14 -3.038 -2.625 8.105 1.00 33.11 H new ATOM 0 HD13 LEU A 14 -2.930 -4.371 7.781 1.00 33.11 H new ATOM 0 HD21 LEU A 14 -1.665 -4.074 4.989 1.00 4.02 H new ATOM 0 HD22 LEU A 14 -3.013 -5.179 5.351 1.00 4.02 H new ATOM 0 HD23 LEU A 14 -3.177 -3.970 4.056 1.00 4.02 H new ATOM 186 N VAL A 15 -4.040 -0.312 7.270 1.00 42.35 N ATOM 187 CA VAL A 15 -3.481 1.001 6.976 1.00 45.31 C ATOM 188 C VAL A 15 -1.967 0.927 6.802 1.00 3.03 C ATOM 189 O VAL A 15 -1.297 0.110 7.438 1.00 70.53 O ATOM 190 CB VAL A 15 -3.811 2.013 8.089 1.00 33.14 C ATOM 191 CG1 VAL A 15 -3.300 3.398 7.719 1.00 1.21 C ATOM 192 CG2 VAL A 15 -5.307 2.041 8.357 1.00 72.13 C ATOM 0 H VAL A 15 -3.602 -0.790 8.057 1.00 42.35 H new ATOM 0 HA VAL A 15 -3.935 1.338 6.044 1.00 45.31 H new ATOM 0 HB VAL A 15 -3.308 1.699 9.004 1.00 33.14 H new ATOM 0 HG11 VAL A 15 -3.542 4.100 8.517 1.00 1.21 H new ATOM 0 HG12 VAL A 15 -2.219 3.363 7.582 1.00 1.21 H new ATOM 0 HG13 VAL A 15 -3.772 3.725 6.793 1.00 1.21 H new ATOM 0 HG21 VAL A 15 -5.522 2.761 9.146 1.00 72.13 H new ATOM 0 HG22 VAL A 15 -5.834 2.331 7.448 1.00 72.13 H new ATOM 0 HG23 VAL A 15 -5.639 1.051 8.669 1.00 72.13 H new ATOM 202 N LEU A 16 -1.435 1.785 5.939 1.00 2.22 N ATOM 203 CA LEU A 16 0.001 1.818 5.683 1.00 61.21 C ATOM 204 C LEU A 16 0.531 3.247 5.737 1.00 31.24 C ATOM 205 O LEU A 16 -0.186 4.200 5.429 1.00 1.42 O ATOM 206 CB LEU A 16 0.310 1.200 4.318 1.00 61.33 C ATOM 207 CG LEU A 16 0.064 -0.305 4.192 1.00 50.22 C ATOM 208 CD1 LEU A 16 0.468 -0.798 2.811 1.00 0.04 C ATOM 209 CD2 LEU A 16 0.822 -1.061 5.274 1.00 41.14 C ATOM 0 H LEU A 16 -1.975 2.466 5.405 1.00 2.22 H new ATOM 0 HA LEU A 16 0.497 1.236 6.460 1.00 61.21 H new ATOM 0 HB2 LEU A 16 -0.291 1.711 3.566 1.00 61.33 H new ATOM 0 HB3 LEU A 16 1.355 1.399 4.080 1.00 61.33 H new ATOM 0 HG LEU A 16 -1.002 -0.493 4.324 1.00 50.22 H new ATOM 0 HD11 LEU A 16 0.286 -1.870 2.740 1.00 0.04 H new ATOM 0 HD12 LEU A 16 -0.119 -0.279 2.053 1.00 0.04 H new ATOM 0 HD13 LEU A 16 1.527 -0.598 2.649 1.00 0.04 H new ATOM 0 HD21 LEU A 16 0.636 -2.130 5.170 1.00 41.14 H new ATOM 0 HD22 LEU A 16 1.890 -0.867 5.173 1.00 41.14 H new ATOM 0 HD23 LEU A 16 0.484 -0.728 6.255 1.00 41.14 H new ATOM 220 N LYS A 17 1.792 3.391 6.129 1.00 33.53 N ATOM 221 CA LYS A 17 2.421 4.703 6.221 1.00 0.33 C ATOM 222 C LYS A 17 3.507 4.862 5.160 1.00 24.11 C ATOM 223 O LYS A 17 4.120 3.883 4.735 1.00 52.30 O ATOM 224 CB LYS A 17 3.020 4.907 7.614 1.00 33.23 C ATOM 225 CG LYS A 17 3.631 6.283 7.817 1.00 62.24 C ATOM 226 CD LYS A 17 3.599 6.697 9.279 1.00 21.41 C ATOM 227 CE LYS A 17 2.308 7.422 9.625 1.00 31.20 C ATOM 228 NZ LYS A 17 2.293 7.889 11.039 1.00 15.31 N ATOM 0 H LYS A 17 2.399 2.614 6.389 1.00 33.53 H new ATOM 0 HA LYS A 17 1.655 5.459 6.047 1.00 0.33 H new ATOM 0 HB2 LYS A 17 2.242 4.750 8.361 1.00 33.23 H new ATOM 0 HB3 LYS A 17 3.785 4.150 7.786 1.00 33.23 H new ATOM 0 HG2 LYS A 17 4.661 6.281 7.461 1.00 62.24 H new ATOM 0 HG3 LYS A 17 3.088 7.015 7.219 1.00 62.24 H new ATOM 0 HD2 LYS A 17 3.702 5.815 9.910 1.00 21.41 H new ATOM 0 HD3 LYS A 17 4.450 7.344 9.494 1.00 21.41 H new ATOM 0 HE2 LYS A 17 2.182 8.276 8.960 1.00 31.20 H new ATOM 0 HE3 LYS A 17 1.461 6.757 9.454 1.00 31.20 H new ATOM 0 HZ1 LYS A 17 1.396 8.378 11.234 1.00 15.31 H new ATOM 0 HZ2 LYS A 17 2.387 7.072 11.675 1.00 15.31 H new ATOM 0 HZ3 LYS A 17 3.085 8.544 11.197 1.00 15.31 H new ATOM 238 N CYS A 18 3.739 6.100 4.739 1.00 25.44 N ATOM 239 CA CYS A 18 4.750 6.388 3.730 1.00 71.33 C ATOM 240 C CYS A 18 5.965 7.066 4.354 1.00 54.32 C ATOM 241 O CYS A 18 5.949 8.267 4.625 1.00 15.51 O ATOM 242 CB CYS A 18 4.165 7.279 2.631 1.00 4.32 C ATOM 243 SG CYS A 18 5.283 7.547 1.218 1.00 73.31 S ATOM 0 H CYS A 18 3.240 6.921 5.082 1.00 25.44 H new ATOM 0 HA CYS A 18 5.069 5.442 3.292 1.00 71.33 H new ATOM 0 HB2 CYS A 18 3.240 6.831 2.269 1.00 4.32 H new ATOM 0 HB3 CYS A 18 3.904 8.245 3.062 1.00 4.32 H new ATOM 247 N LYS A 19 7.017 6.288 4.582 1.00 11.41 N ATOM 248 CA LYS A 19 8.244 6.811 5.175 1.00 23.02 C ATOM 249 C LYS A 19 8.763 8.006 4.382 1.00 4.23 C ATOM 250 O LYS A 19 8.978 7.916 3.174 1.00 45.52 O ATOM 251 CB LYS A 19 9.313 5.719 5.232 1.00 54.13 C ATOM 252 CG LYS A 19 8.805 4.398 5.785 1.00 71.22 C ATOM 253 CD LYS A 19 8.159 4.576 7.149 1.00 43.02 C ATOM 254 CE LYS A 19 9.172 5.027 8.190 1.00 4.40 C ATOM 255 NZ LYS A 19 8.538 5.254 9.518 1.00 14.13 N ATOM 0 H LYS A 19 7.046 5.292 4.365 1.00 11.41 H new ATOM 0 HA LYS A 19 8.017 7.141 6.189 1.00 23.02 H new ATOM 0 HB2 LYS A 19 9.707 5.556 4.229 1.00 54.13 H new ATOM 0 HB3 LYS A 19 10.142 6.066 5.848 1.00 54.13 H new ATOM 0 HG2 LYS A 19 8.082 3.967 5.093 1.00 71.22 H new ATOM 0 HG3 LYS A 19 9.632 3.693 5.863 1.00 71.22 H new ATOM 0 HD2 LYS A 19 7.356 5.310 7.080 1.00 43.02 H new ATOM 0 HD3 LYS A 19 7.706 3.636 7.464 1.00 43.02 H new ATOM 0 HE2 LYS A 19 9.955 4.274 8.285 1.00 4.40 H new ATOM 0 HE3 LYS A 19 9.653 5.946 7.855 1.00 4.40 H new ATOM 0 HZ1 LYS A 19 9.261 5.560 10.200 1.00 14.13 H new ATOM 0 HZ2 LYS A 19 7.808 5.990 9.433 1.00 14.13 H new ATOM 0 HZ3 LYS A 19 8.101 4.370 9.850 1.00 14.13 H new ATOM 265 N GLY A 20 8.964 9.125 5.070 1.00 40.21 N ATOM 266 CA GLY A 20 9.459 10.321 4.414 1.00 50.30 C ATOM 267 C GLY A 20 8.551 11.516 4.624 1.00 22.42 C ATOM 268 O GLY A 20 9.019 12.623 4.886 1.00 11.21 O ATOM 0 H GLY A 20 8.793 9.225 6.071 1.00 40.21 H new ATOM 0 HA2 GLY A 20 10.454 10.554 4.793 1.00 50.30 H new ATOM 0 HA3 GLY A 20 9.561 10.130 3.346 1.00 50.30 H new ATOM 272 N ALA A 21 7.245 11.293 4.507 1.00 64.22 N ATOM 273 CA ALA A 21 6.268 12.360 4.685 1.00 41.50 C ATOM 274 C ALA A 21 5.798 12.435 6.134 1.00 33.24 C ATOM 275 O ALA A 21 5.400 11.438 6.736 1.00 74.21 O ATOM 276 CB ALA A 21 5.083 12.153 3.754 1.00 40.32 C ATOM 0 H ALA A 21 6.840 10.382 4.290 1.00 64.22 H new ATOM 0 HA ALA A 21 6.749 13.306 4.436 1.00 41.50 H new ATOM 0 HB1 ALA A 21 4.362 12.958 3.898 1.00 40.32 H new ATOM 0 HB2 ALA A 21 5.428 12.156 2.720 1.00 40.32 H new ATOM 0 HB3 ALA A 21 4.609 11.197 3.976 1.00 40.32 H new ATOM 282 N PRO A 22 5.844 13.647 6.708 1.00 24.24 N ATOM 283 CA PRO A 22 5.424 13.882 8.094 1.00 41.45 C ATOM 284 C PRO A 22 3.917 13.743 8.276 1.00 22.44 C ATOM 285 O PRO A 22 3.232 13.155 7.439 1.00 72.10 O ATOM 286 CB PRO A 22 5.865 15.323 8.358 1.00 73.45 C ATOM 287 CG PRO A 22 5.898 15.963 7.012 1.00 43.33 C ATOM 288 CD PRO A 22 6.305 14.881 6.051 1.00 70.43 C ATOM 0 HA PRO A 22 5.860 13.156 8.780 1.00 41.45 H new ATOM 0 HB2 PRO A 22 5.169 15.835 9.022 1.00 73.45 H new ATOM 0 HB3 PRO A 22 6.844 15.356 8.836 1.00 73.45 H new ATOM 0 HG2 PRO A 22 4.922 16.371 6.750 1.00 43.33 H new ATOM 0 HG3 PRO A 22 6.606 16.791 6.991 1.00 43.33 H new ATOM 0 HD2 PRO A 22 5.838 15.015 5.075 1.00 70.43 H new ATOM 0 HD3 PRO A 22 7.383 14.872 5.890 1.00 70.43 H new ATOM 293 N LYS A 23 3.406 14.290 9.374 1.00 31.04 N ATOM 294 CA LYS A 23 1.979 14.229 9.665 1.00 73.21 C ATOM 295 C LYS A 23 1.157 14.637 8.448 1.00 71.52 C ATOM 296 O LYS A 23 0.194 13.961 8.081 1.00 53.42 O ATOM 297 CB LYS A 23 1.641 15.139 10.850 1.00 60.32 C ATOM 298 CG LYS A 23 2.422 14.813 12.109 1.00 40.53 C ATOM 299 CD LYS A 23 2.088 13.424 12.628 1.00 2.43 C ATOM 300 CE LYS A 23 2.606 13.219 14.045 1.00 72.41 C ATOM 301 NZ LYS A 23 4.060 12.904 14.063 1.00 13.34 N ATOM 0 H LYS A 23 3.959 14.780 10.077 1.00 31.04 H new ATOM 0 HA LYS A 23 1.729 13.199 9.921 1.00 73.21 H new ATOM 0 HB2 LYS A 23 1.836 16.174 10.569 1.00 60.32 H new ATOM 0 HB3 LYS A 23 0.575 15.062 11.064 1.00 60.32 H new ATOM 0 HG2 LYS A 23 3.490 14.878 11.903 1.00 40.53 H new ATOM 0 HG3 LYS A 23 2.200 15.553 12.878 1.00 40.53 H new ATOM 0 HD2 LYS A 23 1.008 13.277 12.609 1.00 2.43 H new ATOM 0 HD3 LYS A 23 2.523 12.673 11.968 1.00 2.43 H new ATOM 0 HE2 LYS A 23 2.422 14.118 14.633 1.00 72.41 H new ATOM 0 HE3 LYS A 23 2.053 12.409 14.520 1.00 72.41 H new ATOM 0 HZ1 LYS A 23 4.374 12.772 15.045 1.00 13.34 H new ATOM 0 HZ2 LYS A 23 4.233 12.032 13.524 1.00 13.34 H new ATOM 0 HZ3 LYS A 23 4.590 13.688 13.633 1.00 13.34 H new ATOM 311 N LYS A 24 1.542 15.744 7.822 1.00 44.11 N ATOM 312 CA LYS A 24 0.843 16.240 6.643 1.00 35.31 C ATOM 313 C LYS A 24 1.664 15.994 5.381 1.00 31.44 C ATOM 314 O LYS A 24 2.862 15.719 5.435 1.00 65.51 O ATOM 315 CB LYS A 24 0.549 17.735 6.789 1.00 4.42 C ATOM 316 CG LYS A 24 -0.901 18.038 7.127 1.00 34.41 C ATOM 317 CD LYS A 24 -1.119 18.124 8.627 1.00 13.24 C ATOM 318 CE LYS A 24 -2.377 18.911 8.964 1.00 51.51 C ATOM 319 NZ LYS A 24 -3.575 18.031 9.050 1.00 21.24 N ATOM 0 H LYS A 24 2.336 16.315 8.112 1.00 44.11 H new ATOM 0 HA LYS A 24 -0.099 15.698 6.555 1.00 35.31 H new ATOM 0 HB2 LYS A 24 1.189 18.149 7.568 1.00 4.42 H new ATOM 0 HB3 LYS A 24 0.810 18.241 5.860 1.00 4.42 H new ATOM 0 HG2 LYS A 24 -1.195 18.979 6.662 1.00 34.41 H new ATOM 0 HG3 LYS A 24 -1.542 17.262 6.709 1.00 34.41 H new ATOM 0 HD2 LYS A 24 -1.195 17.119 9.043 1.00 13.24 H new ATOM 0 HD3 LYS A 24 -0.256 18.598 9.094 1.00 13.24 H new ATOM 0 HE2 LYS A 24 -2.238 19.429 9.913 1.00 51.51 H new ATOM 0 HE3 LYS A 24 -2.542 19.675 8.205 1.00 51.51 H new ATOM 0 HZ1 LYS A 24 -4.411 18.605 9.281 1.00 21.24 H new ATOM 0 HZ2 LYS A 24 -3.723 17.556 8.137 1.00 21.24 H new ATOM 0 HZ3 LYS A 24 -3.429 17.317 9.792 1.00 21.24 H new ATOM 366 N ARG A 28 5.285 16.617 -3.528 1.00 51.21 N ATOM 367 CA ARG A 28 4.644 15.657 -4.419 1.00 10.32 C ATOM 368 C ARG A 28 5.246 14.266 -4.243 1.00 21.43 C ATOM 369 O ARG A 28 6.468 14.102 -4.239 1.00 30.03 O ATOM 370 CB ARG A 28 4.787 16.105 -5.875 1.00 14.11 C ATOM 371 CG ARG A 28 4.230 17.495 -6.141 1.00 53.12 C ATOM 372 CD ARG A 28 4.333 17.863 -7.612 1.00 71.43 C ATOM 373 NE ARG A 28 4.294 19.308 -7.820 1.00 25.54 N ATOM 374 CZ ARG A 28 3.170 20.018 -7.838 1.00 5.45 C ATOM 375 NH1 ARG A 28 2.000 19.417 -7.659 1.00 11.22 N ATOM 376 NH2 ARG A 28 3.214 21.329 -8.031 1.00 1.03 N ATOM 0 HA ARG A 28 3.586 15.612 -4.162 1.00 10.32 H new ATOM 0 HB2 ARG A 28 5.841 16.086 -6.150 1.00 14.11 H new ATOM 0 HB3 ARG A 28 4.277 15.389 -6.519 1.00 14.11 H new ATOM 0 HG2 ARG A 28 3.187 17.537 -5.826 1.00 53.12 H new ATOM 0 HG3 ARG A 28 4.773 18.227 -5.543 1.00 53.12 H new ATOM 0 HD2 ARG A 28 5.261 17.463 -8.021 1.00 71.43 H new ATOM 0 HD3 ARG A 28 3.515 17.396 -8.160 1.00 71.43 H new ATOM 0 HE ARG A 28 5.177 19.799 -7.959 1.00 25.54 H new ATOM 0 HH11 ARG A 28 1.962 18.409 -7.507 1.00 11.22 H new ATOM 0 HH12 ARG A 28 1.139 19.963 -7.673 1.00 11.22 H new ATOM 0 HH21 ARG A 28 4.111 21.795 -8.166 1.00 1.03 H new ATOM 0 HH22 ARG A 28 2.351 21.872 -8.044 1.00 1.03 H new ATOM 387 N LEU A 29 4.383 13.267 -4.097 1.00 23.41 N ATOM 388 CA LEU A 29 4.829 11.889 -3.921 1.00 20.40 C ATOM 389 C LEU A 29 3.964 10.930 -4.732 1.00 12.43 C ATOM 390 O LEU A 29 2.823 11.242 -5.069 1.00 52.11 O ATOM 391 CB LEU A 29 4.788 11.506 -2.440 1.00 55.15 C ATOM 392 CG LEU A 29 3.421 11.599 -1.761 1.00 40.44 C ATOM 393 CD1 LEU A 29 2.616 10.331 -2.007 1.00 73.12 C ATOM 394 CD2 LEU A 29 3.584 11.846 -0.268 1.00 32.40 C ATOM 0 H LEU A 29 3.370 13.385 -4.097 1.00 23.41 H new ATOM 0 HA LEU A 29 5.855 11.814 -4.281 1.00 20.40 H new ATOM 0 HB2 LEU A 29 5.153 10.484 -2.339 1.00 55.15 H new ATOM 0 HB3 LEU A 29 5.484 12.148 -1.900 1.00 55.15 H new ATOM 0 HG LEU A 29 2.878 12.440 -2.192 1.00 40.44 H new ATOM 0 HD11 LEU A 29 1.646 10.415 -1.517 1.00 73.12 H new ATOM 0 HD12 LEU A 29 2.470 10.195 -3.079 1.00 73.12 H new ATOM 0 HD13 LEU A 29 3.154 9.474 -1.602 1.00 73.12 H new ATOM 0 HD21 LEU A 29 2.601 11.910 0.200 1.00 32.40 H new ATOM 0 HD22 LEU A 29 4.146 11.025 0.177 1.00 32.40 H new ATOM 0 HD23 LEU A 29 4.122 12.781 -0.110 1.00 32.40 H new ATOM 405 N GLU A 30 4.516 9.759 -5.037 1.00 62.24 N ATOM 406 CA GLU A 30 3.793 8.752 -5.807 1.00 15.04 C ATOM 407 C GLU A 30 3.682 7.447 -5.025 1.00 51.35 C ATOM 408 O GLU A 30 4.587 7.083 -4.274 1.00 2.11 O ATOM 409 CB GLU A 30 4.494 8.501 -7.144 1.00 52.14 C ATOM 410 CG GLU A 30 3.618 7.799 -8.168 1.00 33.23 C ATOM 411 CD GLU A 30 4.291 7.670 -9.520 1.00 44.12 C ATOM 412 OE1 GLU A 30 4.182 8.614 -10.331 1.00 3.41 O ATOM 413 OE2 GLU A 30 4.927 6.623 -9.768 1.00 3.23 O ATOM 0 H GLU A 30 5.460 9.485 -4.763 1.00 62.24 H new ATOM 0 HA GLU A 30 2.788 9.128 -5.997 1.00 15.04 H new ATOM 0 HB2 GLU A 30 4.826 9.454 -7.555 1.00 52.14 H new ATOM 0 HB3 GLU A 30 5.387 7.901 -6.969 1.00 52.14 H new ATOM 0 HG2 GLU A 30 3.358 6.807 -7.799 1.00 33.23 H new ATOM 0 HG3 GLU A 30 2.685 8.351 -8.282 1.00 33.23 H new ATOM 418 N TRP A 31 2.568 6.749 -5.207 1.00 62.35 N ATOM 419 CA TRP A 31 2.336 5.484 -4.521 1.00 2.54 C ATOM 420 C TRP A 31 2.142 4.348 -5.519 1.00 10.43 C ATOM 421 O TRP A 31 1.549 4.537 -6.581 1.00 24.00 O ATOM 422 CB TRP A 31 1.114 5.591 -3.607 1.00 34.32 C ATOM 423 CG TRP A 31 1.466 5.773 -2.162 1.00 4.04 C ATOM 424 CD1 TRP A 31 2.050 6.867 -1.591 1.00 44.03 C ATOM 425 CD2 TRP A 31 1.258 4.830 -1.105 1.00 20.23 C ATOM 426 NE1 TRP A 31 2.218 6.662 -0.243 1.00 71.42 N ATOM 427 CE2 TRP A 31 1.739 5.420 0.081 1.00 3.12 C ATOM 428 CE3 TRP A 31 0.709 3.546 -1.043 1.00 14.42 C ATOM 429 CZ2 TRP A 31 1.688 4.769 1.311 1.00 64.21 C ATOM 430 CZ3 TRP A 31 0.660 2.902 0.178 1.00 44.54 C ATOM 431 CH2 TRP A 31 1.147 3.511 1.342 1.00 74.50 C ATOM 0 H TRP A 31 1.810 7.038 -5.825 1.00 62.35 H new ATOM 0 HA TRP A 31 3.215 5.263 -3.916 1.00 2.54 H new ATOM 0 HB2 TRP A 31 0.499 6.430 -3.932 1.00 34.32 H new ATOM 0 HB3 TRP A 31 0.509 4.691 -3.715 1.00 34.32 H new ATOM 0 HD1 TRP A 31 2.338 7.763 -2.121 1.00 44.03 H new ATOM 0 HE1 TRP A 31 2.632 7.327 0.411 1.00 71.42 H new ATOM 0 HE3 TRP A 31 0.330 3.066 -1.933 1.00 14.42 H new ATOM 0 HZ2 TRP A 31 2.062 5.239 2.209 1.00 64.21 H new ATOM 0 HZ3 TRP A 31 0.238 1.910 0.237 1.00 44.54 H new ATOM 0 HH2 TRP A 31 1.095 2.979 2.280 1.00 74.50 H new ATOM 441 N LYS A 32 2.646 3.169 -5.172 1.00 43.44 N ATOM 442 CA LYS A 32 2.527 2.001 -6.038 1.00 54.54 C ATOM 443 C LYS A 32 2.451 0.719 -5.215 1.00 54.43 C ATOM 444 O LYS A 32 3.212 0.534 -4.263 1.00 4.04 O ATOM 445 CB LYS A 32 3.714 1.931 -7.001 1.00 53.14 C ATOM 446 CG LYS A 32 3.385 2.400 -8.407 1.00 73.30 C ATOM 447 CD LYS A 32 4.575 3.081 -9.062 1.00 3.02 C ATOM 448 CE LYS A 32 5.716 2.103 -9.300 1.00 32.44 C ATOM 449 NZ LYS A 32 6.570 2.515 -10.447 1.00 65.40 N ATOM 0 H LYS A 32 3.141 2.996 -4.297 1.00 43.44 H new ATOM 0 HA LYS A 32 1.606 2.099 -6.613 1.00 54.54 H new ATOM 0 HB2 LYS A 32 4.528 2.538 -6.606 1.00 53.14 H new ATOM 0 HB3 LYS A 32 4.075 0.904 -7.045 1.00 53.14 H new ATOM 0 HG2 LYS A 32 3.074 1.548 -9.012 1.00 73.30 H new ATOM 0 HG3 LYS A 32 2.543 3.091 -8.373 1.00 73.30 H new ATOM 0 HD2 LYS A 32 4.267 3.520 -10.011 1.00 3.02 H new ATOM 0 HD3 LYS A 32 4.921 3.899 -8.430 1.00 3.02 H new ATOM 0 HE2 LYS A 32 6.327 2.032 -8.400 1.00 32.44 H new ATOM 0 HE3 LYS A 32 5.309 1.110 -9.489 1.00 32.44 H new ATOM 0 HZ1 LYS A 32 7.335 1.823 -10.576 1.00 65.40 H new ATOM 0 HZ2 LYS A 32 5.993 2.559 -11.311 1.00 65.40 H new ATOM 0 HZ3 LYS A 32 6.979 3.452 -10.256 1.00 65.40 H new ATOM 459 N LEU A 33 1.531 -0.163 -5.587 1.00 13.15 N ATOM 460 CA LEU A 33 1.357 -1.429 -4.884 1.00 61.13 C ATOM 461 C LEU A 33 1.060 -2.560 -5.864 1.00 11.11 C ATOM 462 O LEU A 33 0.290 -2.391 -6.807 1.00 65.12 O ATOM 463 CB LEU A 33 0.225 -1.316 -3.861 1.00 71.34 C ATOM 464 CG LEU A 33 -1.183 -1.609 -4.383 1.00 72.22 C ATOM 465 CD1 LEU A 33 -1.523 -3.080 -4.204 1.00 12.14 C ATOM 466 CD2 LEU A 33 -2.207 -0.733 -3.675 1.00 60.34 C ATOM 0 H LEU A 33 0.894 -0.025 -6.371 1.00 13.15 H new ATOM 0 HA LEU A 33 2.287 -1.658 -4.364 1.00 61.13 H new ATOM 0 HB2 LEU A 33 0.436 -2.000 -3.039 1.00 71.34 H new ATOM 0 HB3 LEU A 33 0.235 -0.308 -3.448 1.00 71.34 H new ATOM 0 HG LEU A 33 -1.211 -1.378 -5.448 1.00 72.22 H new ATOM 0 HD11 LEU A 33 -2.528 -3.270 -4.581 1.00 12.14 H new ATOM 0 HD12 LEU A 33 -0.807 -3.689 -4.757 1.00 12.14 H new ATOM 0 HD13 LEU A 33 -1.478 -3.338 -3.146 1.00 12.14 H new ATOM 0 HD21 LEU A 33 -3.203 -0.955 -4.059 1.00 60.34 H new ATOM 0 HD22 LEU A 33 -2.178 -0.933 -2.604 1.00 60.34 H new ATOM 0 HD23 LEU A 33 -1.974 0.317 -3.855 1.00 60.34 H new ATOM 477 N ASN A 34 1.676 -3.715 -5.630 1.00 43.13 N ATOM 478 CA ASN A 34 1.478 -4.875 -6.493 1.00 11.35 C ATOM 479 C ASN A 34 0.736 -5.982 -5.751 1.00 22.10 C ATOM 480 O ASN A 34 1.149 -6.407 -4.671 1.00 62.33 O ATOM 481 CB ASN A 34 2.823 -5.397 -6.999 1.00 15.35 C ATOM 482 CG ASN A 34 2.802 -6.890 -7.262 1.00 73.53 C ATOM 483 OD1 ASN A 34 2.988 -7.695 -6.351 1.00 22.02 O ATOM 484 ND2 ASN A 34 2.575 -7.265 -8.516 1.00 52.21 N ATOM 0 H ASN A 34 2.316 -3.873 -4.851 1.00 43.13 H new ATOM 0 HA ASN A 34 0.874 -4.564 -7.346 1.00 11.35 H new ATOM 0 HB2 ASN A 34 3.091 -4.873 -7.916 1.00 15.35 H new ATOM 0 HB3 ASN A 34 3.597 -5.171 -6.265 1.00 15.35 H new ATOM 0 HD21 ASN A 34 2.550 -8.256 -8.755 1.00 52.21 H new ATOM 0 HD22 ASN A 34 2.426 -6.562 -9.240 1.00 52.21 H new ATOM 490 N THR A 35 -0.363 -6.447 -6.338 1.00 1.24 N ATOM 491 CA THR A 35 -1.164 -7.504 -5.732 1.00 14.20 C ATOM 492 C THR A 35 -1.628 -8.509 -6.781 1.00 21.22 C ATOM 493 O THR A 35 -1.306 -8.383 -7.961 1.00 22.45 O ATOM 494 CB THR A 35 -2.394 -6.932 -5.004 1.00 73.53 C ATOM 495 OG1 THR A 35 -3.119 -6.060 -5.880 1.00 64.04 O ATOM 496 CG2 THR A 35 -1.977 -6.171 -3.754 1.00 45.20 C ATOM 0 H THR A 35 -0.718 -6.108 -7.232 1.00 1.24 H new ATOM 0 HA THR A 35 -0.526 -8.008 -5.006 1.00 14.20 H new ATOM 0 HB THR A 35 -3.034 -7.763 -4.708 1.00 73.53 H new ATOM 0 HG1 THR A 35 -3.901 -5.701 -5.411 1.00 64.04 H new ATOM 0 HG21 THR A 35 -2.863 -5.776 -3.256 1.00 45.20 H new ATOM 0 HG22 THR A 35 -1.450 -6.844 -3.077 1.00 45.20 H new ATOM 0 HG23 THR A 35 -1.319 -5.347 -4.032 1.00 45.20 H new ATOM 504 N GLY A 36 -2.388 -9.507 -6.340 1.00 42.15 N ATOM 505 CA GLY A 36 -2.886 -10.520 -7.254 1.00 54.23 C ATOM 506 C GLY A 36 -1.813 -11.508 -7.666 1.00 75.12 C ATOM 507 O GLY A 36 -1.144 -12.097 -6.817 1.00 63.22 O ATOM 0 H GLY A 36 -2.668 -9.632 -5.367 1.00 42.15 H new ATOM 0 HA2 GLY A 36 -3.709 -11.058 -6.782 1.00 54.23 H new ATOM 0 HA3 GLY A 36 -3.290 -10.036 -8.143 1.00 54.23 H new ATOM 511 N ARG A 37 -1.649 -11.689 -8.972 1.00 1.54 N ATOM 512 CA ARG A 37 -0.651 -12.615 -9.495 1.00 25.11 C ATOM 513 C ARG A 37 0.456 -11.864 -10.228 1.00 52.54 C ATOM 514 O ARG A 37 1.632 -12.221 -10.135 1.00 73.41 O ATOM 515 CB ARG A 37 -1.306 -13.627 -10.437 1.00 63.41 C ATOM 516 CG ARG A 37 -1.878 -14.841 -9.725 1.00 21.30 C ATOM 517 CD ARG A 37 -3.129 -14.488 -8.937 1.00 71.41 C ATOM 518 NE ARG A 37 -3.935 -15.667 -8.631 1.00 43.33 N ATOM 519 CZ ARG A 37 -4.955 -15.660 -7.781 1.00 71.42 C ATOM 520 NH1 ARG A 37 -5.294 -14.541 -7.156 1.00 43.11 N ATOM 521 NH2 ARG A 37 -5.641 -16.773 -7.556 1.00 43.20 N ATOM 0 H ARG A 37 -2.194 -11.207 -9.687 1.00 1.54 H new ATOM 0 HA ARG A 37 -0.209 -13.147 -8.652 1.00 25.11 H new ATOM 0 HB2 ARG A 37 -2.104 -13.132 -10.990 1.00 63.41 H new ATOM 0 HB3 ARG A 37 -0.569 -13.959 -11.168 1.00 63.41 H new ATOM 0 HG2 ARG A 37 -2.113 -15.615 -10.456 1.00 21.30 H new ATOM 0 HG3 ARG A 37 -1.128 -15.256 -9.052 1.00 21.30 H new ATOM 0 HD2 ARG A 37 -2.845 -13.993 -8.009 1.00 71.41 H new ATOM 0 HD3 ARG A 37 -3.728 -13.778 -9.507 1.00 71.41 H new ATOM 0 HE ARG A 37 -3.701 -16.544 -9.096 1.00 43.33 H new ATOM 0 HH11 ARG A 37 -4.771 -13.682 -7.328 1.00 43.11 H new ATOM 0 HH12 ARG A 37 -6.078 -14.539 -6.504 1.00 43.11 H new ATOM 0 HH21 ARG A 37 -5.385 -17.636 -8.036 1.00 43.20 H new ATOM 0 HH22 ARG A 37 -6.424 -16.766 -6.903 1.00 43.20 H new ATOM 532 N THR A 38 0.074 -10.822 -10.959 1.00 24.33 N ATOM 533 CA THR A 38 1.033 -10.021 -11.709 1.00 72.21 C ATOM 534 C THR A 38 0.334 -8.906 -12.480 1.00 42.04 C ATOM 535 O THR A 38 0.913 -7.846 -12.715 1.00 31.13 O ATOM 536 CB THR A 38 1.836 -10.888 -12.697 1.00 70.41 C ATOM 537 OG1 THR A 38 3.005 -10.182 -13.128 1.00 52.20 O ATOM 538 CG2 THR A 38 0.989 -11.259 -13.905 1.00 23.14 C ATOM 0 H THR A 38 -0.894 -10.513 -11.048 1.00 24.33 H new ATOM 0 HA THR A 38 1.717 -9.583 -10.982 1.00 72.21 H new ATOM 0 HB THR A 38 2.131 -11.804 -12.185 1.00 70.41 H new ATOM 0 HG1 THR A 38 3.512 -10.740 -13.755 1.00 52.20 H new ATOM 0 HG21 THR A 38 1.578 -11.871 -14.588 1.00 23.14 H new ATOM 0 HG22 THR A 38 0.114 -11.820 -13.577 1.00 23.14 H new ATOM 0 HG23 THR A 38 0.667 -10.352 -14.416 1.00 23.14 H new ATOM 546 N GLU A 39 -0.912 -9.153 -12.871 1.00 14.24 N ATOM 547 CA GLU A 39 -1.688 -8.168 -13.615 1.00 64.22 C ATOM 548 C GLU A 39 -2.694 -7.469 -12.707 1.00 33.33 C ATOM 549 O GLU A 39 -3.792 -7.113 -13.135 1.00 42.12 O ATOM 550 CB GLU A 39 -2.417 -8.838 -14.782 1.00 31.45 C ATOM 551 CG GLU A 39 -1.486 -9.352 -15.868 1.00 0.24 C ATOM 552 CD GLU A 39 -2.100 -10.480 -16.675 1.00 42.52 C ATOM 553 OE1 GLU A 39 -3.062 -10.218 -17.425 1.00 11.22 O ATOM 554 OE2 GLU A 39 -1.616 -11.625 -16.557 1.00 2.20 O ATOM 0 H GLU A 39 -1.405 -10.026 -12.685 1.00 14.24 H new ATOM 0 HA GLU A 39 -0.999 -7.420 -14.007 1.00 64.22 H new ATOM 0 HB2 GLU A 39 -3.009 -9.669 -14.400 1.00 31.45 H new ATOM 0 HB3 GLU A 39 -3.115 -8.125 -15.221 1.00 31.45 H new ATOM 0 HG2 GLU A 39 -1.225 -8.532 -16.537 1.00 0.24 H new ATOM 0 HG3 GLU A 39 -0.558 -9.699 -15.412 1.00 0.24 H new ATOM 559 N ALA A 40 -2.311 -7.274 -11.448 1.00 43.34 N ATOM 560 CA ALA A 40 -3.178 -6.616 -10.479 1.00 55.31 C ATOM 561 C ALA A 40 -2.496 -5.393 -9.875 1.00 42.53 C ATOM 562 O ALA A 40 -3.113 -4.632 -9.129 1.00 3.51 O ATOM 563 CB ALA A 40 -3.583 -7.592 -9.384 1.00 44.32 C ATOM 0 H ALA A 40 -1.406 -7.563 -11.076 1.00 43.34 H new ATOM 0 HA ALA A 40 -4.075 -6.280 -11.000 1.00 55.31 H new ATOM 0 HB1 ALA A 40 -4.230 -7.087 -8.667 1.00 44.32 H new ATOM 0 HB2 ALA A 40 -4.117 -8.433 -9.826 1.00 44.32 H new ATOM 0 HB3 ALA A 40 -2.692 -7.956 -8.873 1.00 44.32 H new ATOM 569 N TRP A 41 -1.221 -5.212 -10.200 1.00 2.34 N ATOM 570 CA TRP A 41 -0.456 -4.080 -9.687 1.00 3.21 C ATOM 571 C TRP A 41 -0.934 -2.773 -10.308 1.00 42.21 C ATOM 572 O TRP A 41 -1.044 -2.658 -11.529 1.00 13.02 O ATOM 573 CB TRP A 41 1.035 -4.279 -9.969 1.00 35.21 C ATOM 574 CG TRP A 41 1.821 -3.003 -9.929 1.00 62.30 C ATOM 575 CD1 TRP A 41 2.463 -2.469 -8.849 1.00 54.20 C ATOM 576 CD2 TRP A 41 2.045 -2.101 -11.019 1.00 15.50 C ATOM 577 NE1 TRP A 41 3.074 -1.289 -9.201 1.00 1.23 N ATOM 578 CE2 TRP A 41 2.832 -1.042 -10.526 1.00 52.05 C ATOM 579 CE3 TRP A 41 1.659 -2.086 -12.361 1.00 73.44 C ATOM 580 CZ2 TRP A 41 3.238 0.020 -11.332 1.00 33.14 C ATOM 581 CZ3 TRP A 41 2.063 -1.032 -13.159 1.00 4.31 C ATOM 582 CH2 TRP A 41 2.846 0.008 -12.642 1.00 72.34 C ATOM 0 H TRP A 41 -0.695 -5.833 -10.815 1.00 2.34 H new ATOM 0 HA TRP A 41 -0.612 -4.025 -8.610 1.00 3.21 H new ATOM 0 HB2 TRP A 41 1.447 -4.974 -9.237 1.00 35.21 H new ATOM 0 HB3 TRP A 41 1.154 -4.740 -10.949 1.00 35.21 H new ATOM 0 HD1 TRP A 41 2.487 -2.909 -7.863 1.00 54.20 H new ATOM 0 HE1 TRP A 41 3.619 -0.694 -8.577 1.00 1.23 H new ATOM 0 HE3 TRP A 41 1.056 -2.884 -12.768 1.00 73.44 H new ATOM 0 HZ2 TRP A 41 3.841 0.824 -10.936 1.00 33.14 H new ATOM 0 HZ3 TRP A 41 1.770 -1.010 -14.198 1.00 4.31 H new ATOM 0 HH2 TRP A 41 3.146 0.817 -13.291 1.00 72.34 H new ATOM 592 N LYS A 42 -1.218 -1.790 -9.460 1.00 21.30 N ATOM 593 CA LYS A 42 -1.685 -0.489 -9.926 1.00 41.43 C ATOM 594 C LYS A 42 -0.998 0.639 -9.162 1.00 4.02 C ATOM 595 O LYS A 42 -0.483 0.435 -8.061 1.00 61.33 O ATOM 596 CB LYS A 42 -3.201 -0.380 -9.764 1.00 45.33 C ATOM 597 CG LYS A 42 -3.660 -0.369 -8.316 1.00 3.02 C ATOM 598 CD LYS A 42 -4.017 -1.765 -7.834 1.00 1.12 C ATOM 599 CE LYS A 42 -3.545 -1.999 -6.405 1.00 65.40 C ATOM 600 NZ LYS A 42 -4.670 -2.381 -5.507 1.00 15.42 N ATOM 0 H LYS A 42 -1.133 -1.869 -8.447 1.00 21.30 H new ATOM 0 HA LYS A 42 -1.432 -0.396 -10.982 1.00 41.43 H new ATOM 0 HB2 LYS A 42 -3.545 0.532 -10.252 1.00 45.33 H new ATOM 0 HB3 LYS A 42 -3.674 -1.216 -10.280 1.00 45.33 H new ATOM 0 HG2 LYS A 42 -2.872 0.044 -7.687 1.00 3.02 H new ATOM 0 HG3 LYS A 42 -4.526 0.285 -8.213 1.00 3.02 H new ATOM 0 HD2 LYS A 42 -5.097 -1.905 -7.889 1.00 1.12 H new ATOM 0 HD3 LYS A 42 -3.565 -2.506 -8.494 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -2.790 -2.785 -6.396 1.00 65.40 H new ATOM 0 HE3 LYS A 42 -3.069 -1.094 -6.027 1.00 65.40 H new ATOM 0 HZ1 LYS A 42 -4.309 -2.532 -4.543 1.00 15.42 H new ATOM 0 HZ2 LYS A 42 -5.379 -1.620 -5.496 1.00 15.42 H new ATOM 0 HZ3 LYS A 42 -5.108 -3.258 -5.854 1.00 15.42 H new ATOM 610 N VAL A 43 -0.998 1.831 -9.750 1.00 55.15 N ATOM 611 CA VAL A 43 -0.378 2.992 -9.124 1.00 51.33 C ATOM 612 C VAL A 43 -1.376 3.747 -8.255 1.00 31.32 C ATOM 613 O VAL A 43 -2.421 4.193 -8.734 1.00 42.25 O ATOM 614 CB VAL A 43 0.202 3.956 -10.177 1.00 1.43 C ATOM 615 CG1 VAL A 43 0.822 5.171 -9.504 1.00 74.42 C ATOM 616 CG2 VAL A 43 1.221 3.241 -11.049 1.00 54.41 C ATOM 0 H VAL A 43 -1.421 2.018 -10.659 1.00 55.15 H new ATOM 0 HA VAL A 43 0.433 2.618 -8.499 1.00 51.33 H new ATOM 0 HB VAL A 43 -0.611 4.300 -10.816 1.00 1.43 H new ATOM 0 HG11 VAL A 43 1.226 5.841 -10.263 1.00 74.42 H new ATOM 0 HG12 VAL A 43 0.061 5.695 -8.926 1.00 74.42 H new ATOM 0 HG13 VAL A 43 1.624 4.849 -8.840 1.00 74.42 H new ATOM 0 HG21 VAL A 43 1.620 3.937 -11.787 1.00 54.41 H new ATOM 0 HG22 VAL A 43 2.034 2.866 -10.426 1.00 54.41 H new ATOM 0 HG23 VAL A 43 0.741 2.406 -11.560 1.00 54.41 H new ATOM 626 N LEU A 44 -1.052 3.888 -6.975 1.00 51.41 N ATOM 627 CA LEU A 44 -1.922 4.589 -6.038 1.00 35.25 C ATOM 628 C LEU A 44 -1.597 6.081 -6.005 1.00 45.33 C ATOM 629 O LEU A 44 -0.438 6.475 -6.127 1.00 42.01 O ATOM 630 CB LEU A 44 -1.780 3.995 -4.635 1.00 51.44 C ATOM 631 CG LEU A 44 -2.845 2.977 -4.226 1.00 65.42 C ATOM 632 CD1 LEU A 44 -2.518 2.379 -2.867 1.00 25.45 C ATOM 633 CD2 LEU A 44 -4.222 3.625 -4.210 1.00 33.21 C ATOM 0 H LEU A 44 -0.193 3.526 -6.562 1.00 51.41 H new ATOM 0 HA LEU A 44 -2.951 4.466 -6.376 1.00 35.25 H new ATOM 0 HB2 LEU A 44 -0.803 3.518 -4.561 1.00 51.44 H new ATOM 0 HB3 LEU A 44 -1.791 4.812 -3.914 1.00 51.44 H new ATOM 0 HG LEU A 44 -2.853 2.172 -4.961 1.00 65.42 H new ATOM 0 HD11 LEU A 44 -3.287 1.657 -2.593 1.00 25.45 H new ATOM 0 HD12 LEU A 44 -1.550 1.879 -2.913 1.00 25.45 H new ATOM 0 HD13 LEU A 44 -2.482 3.172 -2.120 1.00 25.45 H new ATOM 0 HD21 LEU A 44 -4.968 2.887 -3.917 1.00 33.21 H new ATOM 0 HD22 LEU A 44 -4.228 4.450 -3.497 1.00 33.21 H new ATOM 0 HD23 LEU A 44 -4.457 4.004 -5.205 1.00 33.21 H new ATOM 644 N SER A 45 -2.628 6.901 -5.837 1.00 72.51 N ATOM 645 CA SER A 45 -2.453 8.348 -5.790 1.00 72.30 C ATOM 646 C SER A 45 -3.092 8.933 -4.534 1.00 50.44 C ATOM 647 O SER A 45 -4.050 8.388 -3.983 1.00 42.14 O ATOM 648 CB SER A 45 -3.062 8.998 -7.034 1.00 51.24 C ATOM 649 OG SER A 45 -2.316 8.674 -8.195 1.00 22.21 O ATOM 0 H SER A 45 -3.593 6.589 -5.731 1.00 72.51 H new ATOM 0 HA SER A 45 -1.384 8.558 -5.765 1.00 72.30 H new ATOM 0 HB2 SER A 45 -4.093 8.664 -7.155 1.00 51.24 H new ATOM 0 HB3 SER A 45 -3.090 10.080 -6.906 1.00 51.24 H new ATOM 0 HG SER A 45 -2.726 9.100 -8.977 1.00 22.21 H new ATOM 772 N ALA A 56 -8.741 0.387 -2.384 1.00 23.21 N ATOM 773 CA ALA A 56 -8.588 1.213 -1.194 1.00 51.02 C ATOM 774 C ALA A 56 -8.341 2.670 -1.565 1.00 34.33 C ATOM 775 O ALA A 56 -8.217 3.009 -2.742 1.00 43.23 O ATOM 776 CB ALA A 56 -7.452 0.687 -0.330 1.00 54.45 C ATOM 0 HA ALA A 56 -9.517 1.163 -0.625 1.00 51.02 H new ATOM 0 HB1 ALA A 56 -7.349 1.313 0.556 1.00 54.45 H new ATOM 0 HB2 ALA A 56 -7.670 -0.337 -0.027 1.00 54.45 H new ATOM 0 HB3 ALA A 56 -6.523 0.707 -0.899 1.00 54.45 H new ATOM 782 N ARG A 57 -8.273 3.531 -0.554 1.00 51.54 N ATOM 783 CA ARG A 57 -8.042 4.953 -0.775 1.00 21.35 C ATOM 784 C ARG A 57 -6.737 5.400 -0.124 1.00 61.14 C ATOM 785 O ARG A 57 -6.204 4.723 0.754 1.00 3.23 O ATOM 786 CB ARG A 57 -9.209 5.772 -0.218 1.00 55.32 C ATOM 787 CG ARG A 57 -10.286 4.929 0.443 1.00 41.54 C ATOM 788 CD ARG A 57 -9.891 4.526 1.855 1.00 22.30 C ATOM 789 NE ARG A 57 -10.604 5.304 2.864 1.00 1.52 N ATOM 790 CZ ARG A 57 -10.821 4.877 4.104 1.00 0.14 C ATOM 791 NH1 ARG A 57 -10.381 3.686 4.484 1.00 43.34 N ATOM 792 NH2 ARG A 57 -11.478 5.643 4.966 1.00 61.44 N ATOM 0 H ARG A 57 -8.375 3.268 0.426 1.00 51.54 H new ATOM 0 HA ARG A 57 -7.967 5.121 -1.849 1.00 21.35 H new ATOM 0 HB2 ARG A 57 -8.825 6.489 0.508 1.00 55.32 H new ATOM 0 HB3 ARG A 57 -9.657 6.348 -1.028 1.00 55.32 H new ATOM 0 HG2 ARG A 57 -11.221 5.489 0.471 1.00 41.54 H new ATOM 0 HG3 ARG A 57 -10.467 4.035 -0.154 1.00 41.54 H new ATOM 0 HD2 ARG A 57 -10.098 3.466 2.001 1.00 22.30 H new ATOM 0 HD3 ARG A 57 -8.817 4.662 1.984 1.00 22.30 H new ATOM 0 HE ARG A 57 -10.955 6.226 2.603 1.00 1.52 H new ATOM 0 HH11 ARG A 57 -9.875 3.095 3.824 1.00 43.34 H new ATOM 0 HH12 ARG A 57 -10.549 3.360 5.436 1.00 43.34 H new ATOM 0 HH21 ARG A 57 -11.817 6.561 4.677 1.00 61.44 H new ATOM 0 HH22 ARG A 57 -11.644 5.314 5.917 1.00 61.44 H new ATOM 803 N VAL A 58 -6.225 6.547 -0.563 1.00 65.13 N ATOM 804 CA VAL A 58 -4.982 7.084 -0.025 1.00 21.43 C ATOM 805 C VAL A 58 -5.245 8.308 0.846 1.00 74.22 C ATOM 806 O VAL A 58 -5.949 9.233 0.440 1.00 1.14 O ATOM 807 CB VAL A 58 -4.003 7.469 -1.150 1.00 63.22 C ATOM 808 CG1 VAL A 58 -2.690 7.972 -0.567 1.00 64.12 C ATOM 809 CG2 VAL A 58 -3.766 6.286 -2.077 1.00 55.13 C ATOM 0 H VAL A 58 -6.653 7.121 -1.290 1.00 65.13 H new ATOM 0 HA VAL A 58 -4.534 6.298 0.583 1.00 21.43 H new ATOM 0 HB VAL A 58 -4.446 8.276 -1.734 1.00 63.22 H new ATOM 0 HG11 VAL A 58 -2.011 8.239 -1.377 1.00 64.12 H new ATOM 0 HG12 VAL A 58 -2.879 8.849 0.052 1.00 64.12 H new ATOM 0 HG13 VAL A 58 -2.238 7.189 0.042 1.00 64.12 H new ATOM 0 HG21 VAL A 58 -3.072 6.575 -2.866 1.00 55.13 H new ATOM 0 HG22 VAL A 58 -3.344 5.457 -1.509 1.00 55.13 H new ATOM 0 HG23 VAL A 58 -4.712 5.977 -2.521 1.00 55.13 H new ATOM 819 N LEU A 59 -4.674 8.308 2.046 1.00 42.00 N ATOM 820 CA LEU A 59 -4.845 9.419 2.975 1.00 2.22 C ATOM 821 C LEU A 59 -4.129 10.666 2.470 1.00 54.51 C ATOM 822 O LEU A 59 -3.189 10.595 1.676 1.00 21.22 O ATOM 823 CB LEU A 59 -4.316 9.037 4.359 1.00 24.44 C ATOM 824 CG LEU A 59 -5.154 8.027 5.144 1.00 62.05 C ATOM 825 CD1 LEU A 59 -4.336 7.414 6.269 1.00 63.15 C ATOM 826 CD2 LEU A 59 -6.409 8.688 5.693 1.00 64.42 C ATOM 0 H LEU A 59 -4.089 7.551 2.398 1.00 42.00 H new ATOM 0 HA LEU A 59 -5.910 9.640 3.048 1.00 2.22 H new ATOM 0 HB2 LEU A 59 -3.311 8.632 4.242 1.00 24.44 H new ATOM 0 HB3 LEU A 59 -4.226 9.945 4.955 1.00 24.44 H new ATOM 0 HG LEU A 59 -5.455 7.229 4.466 1.00 62.05 H new ATOM 0 HD11 LEU A 59 -4.949 6.698 6.816 1.00 63.15 H new ATOM 0 HD12 LEU A 59 -3.468 6.904 5.851 1.00 63.15 H new ATOM 0 HD13 LEU A 59 -4.004 8.200 6.947 1.00 63.15 H new ATOM 0 HD21 LEU A 59 -6.993 7.954 6.249 1.00 64.42 H new ATOM 0 HD22 LEU A 59 -6.129 9.506 6.356 1.00 64.42 H new ATOM 0 HD23 LEU A 59 -7.006 9.077 4.868 1.00 64.42 H new ATOM 837 N PRO A 60 -4.579 11.838 2.941 1.00 35.53 N ATOM 838 CA PRO A 60 -3.992 13.126 2.553 1.00 21.42 C ATOM 839 C PRO A 60 -2.593 13.321 3.126 1.00 13.44 C ATOM 840 O PRO A 60 -1.805 14.113 2.608 1.00 65.21 O ATOM 841 CB PRO A 60 -4.961 14.151 3.149 1.00 62.44 C ATOM 842 CG PRO A 60 -5.604 13.445 4.293 1.00 23.34 C ATOM 843 CD PRO A 60 -5.694 12.000 3.890 1.00 0.41 C ATOM 0 HA PRO A 60 -3.871 13.210 1.473 1.00 21.42 H new ATOM 0 HB2 PRO A 60 -4.435 15.046 3.481 1.00 62.44 H new ATOM 0 HB3 PRO A 60 -5.701 14.470 2.415 1.00 62.44 H new ATOM 0 HG2 PRO A 60 -5.015 13.560 5.203 1.00 23.34 H new ATOM 0 HG3 PRO A 60 -6.593 13.855 4.499 1.00 23.34 H new ATOM 0 HD2 PRO A 60 -5.590 11.337 4.749 1.00 0.41 H new ATOM 0 HD3 PRO A 60 -6.653 11.772 3.425 1.00 0.41 H new ATOM 848 N ASN A 61 -2.289 12.595 4.197 1.00 71.33 N ATOM 849 CA ASN A 61 -0.984 12.689 4.839 1.00 31.03 C ATOM 850 C ASN A 61 0.048 11.840 4.102 1.00 10.43 C ATOM 851 O ASN A 61 1.212 11.778 4.496 1.00 35.00 O ATOM 852 CB ASN A 61 -1.078 12.245 6.299 1.00 12.43 C ATOM 853 CG ASN A 61 -1.790 10.915 6.455 1.00 22.23 C ATOM 854 OD1 ASN A 61 -1.931 10.157 5.495 1.00 41.34 O ATOM 855 ND2 ASN A 61 -2.248 10.626 7.669 1.00 73.34 N ATOM 0 H ASN A 61 -2.929 11.935 4.638 1.00 71.33 H new ATOM 0 HA ASN A 61 -0.663 13.730 4.803 1.00 31.03 H new ATOM 0 HB2 ASN A 61 -0.075 12.168 6.718 1.00 12.43 H new ATOM 0 HB3 ASN A 61 -1.606 13.006 6.874 1.00 12.43 H new ATOM 0 HD21 ASN A 61 -2.738 9.747 7.833 1.00 73.34 H new ATOM 0 HD22 ASN A 61 -2.109 11.283 8.436 1.00 73.34 H new ATOM 861 N GLY A 62 -0.389 11.184 3.031 1.00 74.30 N ATOM 862 CA GLY A 62 0.507 10.347 2.256 1.00 14.40 C ATOM 863 C GLY A 62 0.472 8.897 2.695 1.00 23.40 C ATOM 864 O GLY A 62 1.407 8.140 2.434 1.00 22.34 O ATOM 0 H GLY A 62 -1.348 11.218 2.687 1.00 74.30 H new ATOM 0 HA2 GLY A 62 0.237 10.411 1.202 1.00 14.40 H new ATOM 0 HA3 GLY A 62 1.525 10.727 2.348 1.00 14.40 H new ATOM 868 N SER A 63 -0.608 8.511 3.365 1.00 24.23 N ATOM 869 CA SER A 63 -0.760 7.142 3.846 1.00 31.14 C ATOM 870 C SER A 63 -1.781 6.381 3.005 1.00 1.01 C ATOM 871 O SER A 63 -2.349 6.922 2.056 1.00 60.41 O ATOM 872 CB SER A 63 -1.190 7.141 5.314 1.00 44.44 C ATOM 873 OG SER A 63 -0.094 7.424 6.166 1.00 45.33 O ATOM 0 H SER A 63 -1.391 9.126 3.588 1.00 24.23 H new ATOM 0 HA SER A 63 0.204 6.642 3.756 1.00 31.14 H new ATOM 0 HB2 SER A 63 -1.975 7.882 5.467 1.00 44.44 H new ATOM 0 HB3 SER A 63 -1.614 6.170 5.572 1.00 44.44 H new ATOM 0 HG SER A 63 -0.395 7.419 7.099 1.00 45.33 H new ATOM 878 N LEU A 64 -2.009 5.120 3.359 1.00 11.03 N ATOM 879 CA LEU A 64 -2.961 4.283 2.640 1.00 61.13 C ATOM 880 C LEU A 64 -3.926 3.601 3.605 1.00 74.45 C ATOM 881 O LEU A 64 -3.509 3.001 4.595 1.00 50.23 O ATOM 882 CB LEU A 64 -2.220 3.230 1.813 1.00 75.13 C ATOM 883 CG LEU A 64 -3.045 2.023 1.369 1.00 44.03 C ATOM 884 CD1 LEU A 64 -4.315 2.474 0.665 1.00 5.45 C ATOM 885 CD2 LEU A 64 -2.222 1.119 0.461 1.00 25.12 C ATOM 0 H LEU A 64 -1.546 4.656 4.141 1.00 11.03 H new ATOM 0 HA LEU A 64 -3.537 4.923 1.972 1.00 61.13 H new ATOM 0 HB2 LEU A 64 -1.814 3.714 0.925 1.00 75.13 H new ATOM 0 HB3 LEU A 64 -1.372 2.871 2.395 1.00 75.13 H new ATOM 0 HG LEU A 64 -3.328 1.455 2.255 1.00 44.03 H new ATOM 0 HD11 LEU A 64 -4.889 1.601 0.356 1.00 5.45 H new ATOM 0 HD12 LEU A 64 -4.913 3.079 1.346 1.00 5.45 H new ATOM 0 HD13 LEU A 64 -4.054 3.066 -0.213 1.00 5.45 H new ATOM 0 HD21 LEU A 64 -2.825 0.265 0.154 1.00 25.12 H new ATOM 0 HD22 LEU A 64 -1.909 1.677 -0.421 1.00 25.12 H new ATOM 0 HD23 LEU A 64 -1.342 0.767 0.999 1.00 25.12 H new ATOM 896 N PHE A 65 -5.218 3.696 3.306 1.00 75.02 N ATOM 897 CA PHE A 65 -6.242 3.087 4.146 1.00 1.13 C ATOM 898 C PHE A 65 -7.130 2.152 3.330 1.00 33.11 C ATOM 899 O PHE A 65 -7.631 2.522 2.267 1.00 11.41 O ATOM 900 CB PHE A 65 -7.097 4.170 4.809 1.00 44.55 C ATOM 901 CG PHE A 65 -7.509 3.830 6.214 1.00 40.13 C ATOM 902 CD1 PHE A 65 -8.241 2.683 6.476 1.00 34.24 C ATOM 903 CD2 PHE A 65 -7.164 4.657 7.270 1.00 13.01 C ATOM 904 CE1 PHE A 65 -8.623 2.369 7.768 1.00 34.24 C ATOM 905 CE2 PHE A 65 -7.542 4.348 8.564 1.00 32.30 C ATOM 906 CZ PHE A 65 -8.272 3.203 8.811 1.00 21.13 C ATOM 0 H PHE A 65 -5.580 4.188 2.489 1.00 75.02 H new ATOM 0 HA PHE A 65 -5.743 2.503 4.919 1.00 1.13 H new ATOM 0 HB2 PHE A 65 -6.540 5.107 4.819 1.00 44.55 H new ATOM 0 HB3 PHE A 65 -7.990 4.336 4.207 1.00 44.55 H new ATOM 0 HD1 PHE A 65 -8.516 2.027 5.663 1.00 34.24 H new ATOM 0 HD2 PHE A 65 -6.593 5.554 7.081 1.00 13.01 H new ATOM 0 HE1 PHE A 65 -9.195 1.473 7.961 1.00 34.24 H new ATOM 0 HE2 PHE A 65 -7.267 5.001 9.379 1.00 32.30 H new ATOM 0 HZ PHE A 65 -8.569 2.959 9.820 1.00 21.13 H new ATOM 915 N LEU A 66 -7.319 0.936 3.834 1.00 74.52 N ATOM 916 CA LEU A 66 -8.145 -0.054 3.152 1.00 75.12 C ATOM 917 C LEU A 66 -9.353 -0.432 4.001 1.00 3.51 C ATOM 918 O LEU A 66 -9.230 -0.807 5.168 1.00 51.43 O ATOM 919 CB LEU A 66 -7.320 -1.301 2.832 1.00 25.02 C ATOM 920 CG LEU A 66 -6.021 -1.069 2.060 1.00 72.53 C ATOM 921 CD1 LEU A 66 -4.828 -1.097 3.002 1.00 32.31 C ATOM 922 CD2 LEU A 66 -5.860 -2.108 0.961 1.00 63.14 C ATOM 0 H LEU A 66 -6.912 0.613 4.712 1.00 74.52 H new ATOM 0 HA LEU A 66 -8.503 0.385 2.221 1.00 75.12 H new ATOM 0 HB2 LEU A 66 -7.077 -1.801 3.769 1.00 25.02 H new ATOM 0 HB3 LEU A 66 -7.943 -1.986 2.257 1.00 25.02 H new ATOM 0 HG LEU A 66 -6.068 -0.084 1.596 1.00 72.53 H new ATOM 0 HD11 LEU A 66 -3.912 -0.930 2.435 1.00 32.31 H new ATOM 0 HD12 LEU A 66 -4.938 -0.314 3.752 1.00 32.31 H new ATOM 0 HD13 LEU A 66 -4.777 -2.067 3.496 1.00 32.31 H new ATOM 0 HD21 LEU A 66 -4.930 -1.927 0.422 1.00 63.14 H new ATOM 0 HD22 LEU A 66 -5.835 -3.104 1.403 1.00 63.14 H new ATOM 0 HD23 LEU A 66 -6.699 -2.039 0.269 1.00 63.14 H new ATOM 933 N PRO A 67 -10.552 -0.334 3.407 1.00 40.24 N ATOM 934 CA PRO A 67 -11.804 -0.664 4.089 1.00 24.15 C ATOM 935 C PRO A 67 -11.948 -2.161 4.347 1.00 54.41 C ATOM 936 O PRO A 67 -12.540 -2.575 5.345 1.00 52.22 O ATOM 937 CB PRO A 67 -12.880 -0.187 3.109 1.00 11.12 C ATOM 938 CG PRO A 67 -12.219 -0.225 1.775 1.00 64.12 C ATOM 939 CD PRO A 67 -10.773 0.106 2.019 1.00 51.23 C ATOM 0 HA PRO A 67 -11.866 -0.198 5.072 1.00 24.15 H new ATOM 0 HB2 PRO A 67 -13.756 -0.836 3.136 1.00 11.12 H new ATOM 0 HB3 PRO A 67 -13.221 0.819 3.354 1.00 11.12 H new ATOM 0 HG2 PRO A 67 -12.322 -1.208 1.316 1.00 64.12 H new ATOM 0 HG3 PRO A 67 -12.674 0.494 1.094 1.00 64.12 H new ATOM 0 HD2 PRO A 67 -10.118 -0.417 1.322 1.00 51.23 H new ATOM 0 HD3 PRO A 67 -10.579 1.172 1.900 1.00 51.23 H new ATOM 944 N ALA A 68 -11.400 -2.968 3.444 1.00 32.14 N ATOM 945 CA ALA A 68 -11.464 -4.417 3.577 1.00 24.13 C ATOM 946 C ALA A 68 -10.568 -5.103 2.550 1.00 32.04 C ATOM 947 O ALA A 68 -10.938 -5.246 1.385 1.00 15.35 O ATOM 948 CB ALA A 68 -12.900 -4.898 3.430 1.00 25.03 C ATOM 0 H ALA A 68 -10.907 -2.642 2.613 1.00 32.14 H new ATOM 0 HA ALA A 68 -11.103 -4.682 4.571 1.00 24.13 H new ATOM 0 HB1 ALA A 68 -12.933 -5.983 3.532 1.00 25.03 H new ATOM 0 HB2 ALA A 68 -13.517 -4.442 4.204 1.00 25.03 H new ATOM 0 HB3 ALA A 68 -13.280 -4.614 2.449 1.00 25.03 H new ATOM 954 N VAL A 69 -9.387 -5.524 2.992 1.00 73.12 N ATOM 955 CA VAL A 69 -8.438 -6.194 2.112 1.00 51.55 C ATOM 956 C VAL A 69 -8.831 -7.649 1.885 1.00 40.50 C ATOM 957 O VAL A 69 -8.800 -8.463 2.808 1.00 35.21 O ATOM 958 CB VAL A 69 -7.008 -6.144 2.686 1.00 65.52 C ATOM 959 CG1 VAL A 69 -6.456 -4.729 2.618 1.00 42.54 C ATOM 960 CG2 VAL A 69 -6.990 -6.665 4.114 1.00 10.43 C ATOM 0 H VAL A 69 -9.065 -5.413 3.954 1.00 73.12 H new ATOM 0 HA VAL A 69 -8.459 -5.662 1.161 1.00 51.55 H new ATOM 0 HB VAL A 69 -6.368 -6.787 2.081 1.00 65.52 H new ATOM 0 HG11 VAL A 69 -5.446 -4.712 3.027 1.00 42.54 H new ATOM 0 HG12 VAL A 69 -6.432 -4.397 1.580 1.00 42.54 H new ATOM 0 HG13 VAL A 69 -7.093 -4.062 3.198 1.00 42.54 H new ATOM 0 HG21 VAL A 69 -5.973 -6.623 4.504 1.00 10.43 H new ATOM 0 HG22 VAL A 69 -7.642 -6.050 4.734 1.00 10.43 H new ATOM 0 HG23 VAL A 69 -7.342 -7.697 4.129 1.00 10.43 H new ATOM 970 N GLY A 70 -9.202 -7.972 0.649 1.00 73.15 N ATOM 971 CA GLY A 70 -9.597 -9.330 0.323 1.00 73.20 C ATOM 972 C GLY A 70 -8.418 -10.196 -0.074 1.00 71.15 C ATOM 973 O GLY A 70 -7.296 -9.706 -0.206 1.00 61.22 O ATOM 0 H GLY A 70 -9.236 -7.317 -0.132 1.00 73.15 H new ATOM 0 HA2 GLY A 70 -10.098 -9.776 1.182 1.00 73.20 H new ATOM 0 HA3 GLY A 70 -10.320 -9.309 -0.493 1.00 73.20 H new ATOM 977 N ILE A 71 -8.672 -11.485 -0.266 1.00 45.33 N ATOM 978 CA ILE A 71 -7.623 -12.422 -0.652 1.00 12.34 C ATOM 979 C ILE A 71 -6.903 -11.952 -1.911 1.00 2.30 C ATOM 980 O ILE A 71 -5.709 -12.196 -2.080 1.00 75.23 O ATOM 981 CB ILE A 71 -8.189 -13.834 -0.893 1.00 53.14 C ATOM 982 CG1 ILE A 71 -7.160 -14.893 -0.497 1.00 5.33 C ATOM 983 CG2 ILE A 71 -8.594 -13.999 -2.351 1.00 0.40 C ATOM 984 CD1 ILE A 71 -7.052 -16.032 -1.486 1.00 62.03 C ATOM 0 H ILE A 71 -9.595 -11.906 -0.161 1.00 45.33 H new ATOM 0 HA ILE A 71 -6.915 -12.461 0.175 1.00 12.34 H new ATOM 0 HB ILE A 71 -9.075 -13.966 -0.272 1.00 53.14 H new ATOM 0 HG12 ILE A 71 -6.184 -14.419 -0.394 1.00 5.33 H new ATOM 0 HG13 ILE A 71 -7.423 -15.296 0.481 1.00 5.33 H new ATOM 0 HG21 ILE A 71 -8.992 -15.002 -2.507 1.00 0.40 H new ATOM 0 HG22 ILE A 71 -9.357 -13.262 -2.602 1.00 0.40 H new ATOM 0 HG23 ILE A 71 -7.723 -13.851 -2.990 1.00 0.40 H new ATOM 0 HD11 ILE A 71 -6.303 -16.745 -1.140 1.00 62.03 H new ATOM 0 HD12 ILE A 71 -8.017 -16.532 -1.572 1.00 62.03 H new ATOM 0 HD13 ILE A 71 -6.758 -15.641 -2.460 1.00 62.03 H new ATOM 995 N GLN A 72 -7.637 -11.276 -2.789 1.00 44.33 N ATOM 996 CA GLN A 72 -7.066 -10.773 -4.032 1.00 35.53 C ATOM 997 C GLN A 72 -6.238 -9.516 -3.782 1.00 23.55 C ATOM 998 O GLN A 72 -5.371 -9.163 -4.581 1.00 51.11 O ATOM 999 CB GLN A 72 -8.176 -10.472 -5.041 1.00 51.14 C ATOM 1000 CG GLN A 72 -8.559 -11.668 -5.898 1.00 44.21 C ATOM 1001 CD GLN A 72 -9.876 -11.470 -6.622 1.00 25.11 C ATOM 1002 OE1 GLN A 72 -10.854 -12.172 -6.361 1.00 54.13 O ATOM 1003 NE2 GLN A 72 -9.910 -10.510 -7.538 1.00 74.15 N ATOM 0 H GLN A 72 -8.627 -11.064 -2.663 1.00 44.33 H new ATOM 0 HA GLN A 72 -6.411 -11.543 -4.439 1.00 35.53 H new ATOM 0 HB2 GLN A 72 -9.058 -10.122 -4.505 1.00 51.14 H new ATOM 0 HB3 GLN A 72 -7.854 -9.658 -5.691 1.00 51.14 H new ATOM 0 HG2 GLN A 72 -7.772 -11.854 -6.629 1.00 44.21 H new ATOM 0 HG3 GLN A 72 -8.625 -12.555 -5.268 1.00 44.21 H new ATOM 0 HE21 GLN A 72 -9.077 -9.952 -7.723 1.00 74.15 H new ATOM 0 HE22 GLN A 72 -10.770 -10.331 -8.057 1.00 74.15 H new ATOM 1010 N ASP A 73 -6.512 -8.846 -2.668 1.00 20.21 N ATOM 1011 CA ASP A 73 -5.792 -7.629 -2.310 1.00 52.33 C ATOM 1012 C ASP A 73 -4.388 -7.956 -1.812 1.00 12.53 C ATOM 1013 O ASP A 73 -3.587 -7.058 -1.552 1.00 61.41 O ATOM 1014 CB ASP A 73 -6.560 -6.851 -1.242 1.00 10.25 C ATOM 1015 CG ASP A 73 -7.361 -5.703 -1.823 1.00 62.21 C ATOM 1016 OD1 ASP A 73 -8.341 -5.973 -2.548 1.00 30.01 O ATOM 1017 OD2 ASP A 73 -7.006 -4.536 -1.554 1.00 23.23 O ATOM 0 H ASP A 73 -7.228 -9.125 -1.997 1.00 20.21 H new ATOM 0 HA ASP A 73 -5.705 -7.011 -3.203 1.00 52.33 H new ATOM 0 HB2 ASP A 73 -7.232 -7.529 -0.716 1.00 10.25 H new ATOM 0 HB3 ASP A 73 -5.858 -6.463 -0.504 1.00 10.25 H new ATOM 1021 N GLU A 74 -4.098 -9.246 -1.675 1.00 63.33 N ATOM 1022 CA GLU A 74 -2.792 -9.690 -1.205 1.00 32.04 C ATOM 1023 C GLU A 74 -1.684 -9.210 -2.138 1.00 23.51 C ATOM 1024 O GLU A 74 -1.853 -9.182 -3.357 1.00 23.10 O ATOM 1025 CB GLU A 74 -2.756 -11.215 -1.094 1.00 64.02 C ATOM 1026 CG GLU A 74 -2.902 -11.925 -2.429 1.00 41.42 C ATOM 1027 CD GLU A 74 -1.569 -12.360 -3.009 1.00 13.34 C ATOM 1028 OE1 GLU A 74 -0.869 -13.157 -2.351 1.00 4.22 O ATOM 1029 OE2 GLU A 74 -1.225 -11.900 -4.117 1.00 65.14 O ATOM 0 H GLU A 74 -4.751 -10.002 -1.883 1.00 63.33 H new ATOM 0 HA GLU A 74 -2.624 -9.257 -0.219 1.00 32.04 H new ATOM 0 HB2 GLU A 74 -1.815 -11.515 -0.633 1.00 64.02 H new ATOM 0 HB3 GLU A 74 -3.555 -11.542 -0.429 1.00 64.02 H new ATOM 0 HG2 GLU A 74 -3.542 -12.799 -2.303 1.00 41.42 H new ATOM 0 HG3 GLU A 74 -3.402 -11.263 -3.135 1.00 41.42 H new ATOM 1034 N GLY A 75 -0.551 -8.832 -1.557 1.00 53.40 N ATOM 1035 CA GLY A 75 0.569 -8.358 -2.352 1.00 24.13 C ATOM 1036 C GLY A 75 1.548 -7.535 -1.540 1.00 15.44 C ATOM 1037 O GLY A 75 1.686 -7.735 -0.332 1.00 43.00 O ATOM 0 H GLY A 75 -0.387 -8.845 -0.550 1.00 53.40 H new ATOM 0 HA2 GLY A 75 1.089 -9.212 -2.786 1.00 24.13 H new ATOM 0 HA3 GLY A 75 0.194 -7.758 -3.181 1.00 24.13 H new ATOM 1041 N ILE A 76 2.232 -6.609 -2.202 1.00 35.11 N ATOM 1042 CA ILE A 76 3.205 -5.753 -1.533 1.00 21.32 C ATOM 1043 C ILE A 76 2.986 -4.288 -1.893 1.00 14.50 C ATOM 1044 O ILE A 76 2.790 -3.944 -3.058 1.00 45.12 O ATOM 1045 CB ILE A 76 4.648 -6.150 -1.897 1.00 51.02 C ATOM 1046 CG1 ILE A 76 4.783 -7.674 -1.950 1.00 51.10 C ATOM 1047 CG2 ILE A 76 5.628 -5.560 -0.895 1.00 75.41 C ATOM 1048 CD1 ILE A 76 4.742 -8.331 -0.588 1.00 33.14 C ATOM 0 H ILE A 76 2.131 -6.432 -3.201 1.00 35.11 H new ATOM 0 HA ILE A 76 3.060 -5.887 -0.461 1.00 21.32 H new ATOM 0 HB ILE A 76 4.882 -5.749 -2.883 1.00 51.02 H new ATOM 0 HG12 ILE A 76 3.980 -8.081 -2.565 1.00 51.10 H new ATOM 0 HG13 ILE A 76 5.722 -7.931 -2.440 1.00 51.10 H new ATOM 0 HG21 ILE A 76 6.643 -5.849 -1.166 1.00 75.41 H new ATOM 0 HG22 ILE A 76 5.546 -4.473 -0.903 1.00 75.41 H new ATOM 0 HG23 ILE A 76 5.398 -5.934 0.103 1.00 75.41 H new ATOM 0 HD11 ILE A 76 4.843 -9.410 -0.702 1.00 33.14 H new ATOM 0 HD12 ILE A 76 5.561 -7.952 0.023 1.00 33.14 H new ATOM 0 HD13 ILE A 76 3.792 -8.104 -0.103 1.00 33.14 H new ATOM 1059 N PHE A 77 3.025 -3.424 -0.882 1.00 13.44 N ATOM 1060 CA PHE A 77 2.832 -1.994 -1.091 1.00 3.24 C ATOM 1061 C PHE A 77 4.162 -1.250 -1.018 1.00 5.23 C ATOM 1062 O PHE A 77 4.956 -1.466 -0.102 1.00 34.32 O ATOM 1063 CB PHE A 77 1.862 -1.431 -0.050 1.00 71.33 C ATOM 1064 CG PHE A 77 0.494 -2.047 -0.112 1.00 20.33 C ATOM 1065 CD1 PHE A 77 0.264 -3.314 0.400 1.00 53.25 C ATOM 1066 CD2 PHE A 77 -0.566 -1.358 -0.682 1.00 53.55 C ATOM 1067 CE1 PHE A 77 -0.994 -3.882 0.345 1.00 54.34 C ATOM 1068 CE2 PHE A 77 -1.826 -1.922 -0.740 1.00 74.02 C ATOM 1069 CZ PHE A 77 -2.040 -3.186 -0.227 1.00 53.21 C ATOM 0 H PHE A 77 3.188 -3.690 0.089 1.00 13.44 H new ATOM 0 HA PHE A 77 2.410 -1.851 -2.086 1.00 3.24 H new ATOM 0 HB2 PHE A 77 2.278 -1.588 0.945 1.00 71.33 H new ATOM 0 HB3 PHE A 77 1.774 -0.354 -0.192 1.00 71.33 H new ATOM 0 HD1 PHE A 77 1.078 -3.864 0.848 1.00 53.25 H new ATOM 0 HD2 PHE A 77 -0.405 -0.369 -1.085 1.00 53.55 H new ATOM 0 HE1 PHE A 77 -1.159 -4.870 0.749 1.00 54.34 H new ATOM 0 HE2 PHE A 77 -2.643 -1.375 -1.186 1.00 74.02 H new ATOM 0 HZ PHE A 77 -3.024 -3.629 -0.273 1.00 53.21 H new ATOM 1078 N ARG A 78 4.398 -0.375 -1.990 1.00 31.15 N ATOM 1079 CA ARG A 78 5.633 0.400 -2.037 1.00 64.31 C ATOM 1080 C ARG A 78 5.332 1.892 -2.156 1.00 73.00 C ATOM 1081 O ARG A 78 4.495 2.306 -2.958 1.00 12.04 O ATOM 1082 CB ARG A 78 6.498 -0.053 -3.214 1.00 12.13 C ATOM 1083 CG ARG A 78 7.866 -0.570 -2.799 1.00 71.43 C ATOM 1084 CD ARG A 78 8.985 0.245 -3.431 1.00 4.23 C ATOM 1085 NE ARG A 78 8.877 0.287 -4.886 1.00 61.44 N ATOM 1086 CZ ARG A 78 8.467 1.354 -5.562 1.00 71.34 C ATOM 1087 NH1 ARG A 78 8.129 2.462 -4.917 1.00 63.34 N ATOM 1088 NH2 ARG A 78 8.396 1.315 -6.887 1.00 33.52 N ATOM 0 H ARG A 78 3.751 -0.185 -2.755 1.00 31.15 H new ATOM 0 HA ARG A 78 6.178 0.229 -1.108 1.00 64.31 H new ATOM 0 HB2 ARG A 78 5.973 -0.837 -3.760 1.00 12.13 H new ATOM 0 HB3 ARG A 78 6.628 0.783 -3.902 1.00 12.13 H new ATOM 0 HG2 ARG A 78 7.956 -0.533 -1.713 1.00 71.43 H new ATOM 0 HG3 ARG A 78 7.965 -1.615 -3.092 1.00 71.43 H new ATOM 0 HD2 ARG A 78 8.961 1.261 -3.036 1.00 4.23 H new ATOM 0 HD3 ARG A 78 9.948 -0.183 -3.151 1.00 4.23 H new ATOM 0 HE ARG A 78 9.130 -0.549 -5.412 1.00 61.44 H new ATOM 0 HH11 ARG A 78 8.184 2.496 -3.899 1.00 63.34 H new ATOM 0 HH12 ARG A 78 7.814 3.280 -5.439 1.00 63.34 H new ATOM 0 HH21 ARG A 78 8.656 0.465 -7.387 1.00 33.52 H new ATOM 0 HH22 ARG A 78 8.081 2.135 -7.405 1.00 33.52 H new ATOM 1099 N CYS A 79 6.023 2.695 -1.352 1.00 40.35 N ATOM 1100 CA CYS A 79 5.832 4.139 -1.364 1.00 64.53 C ATOM 1101 C CYS A 79 7.141 4.859 -1.679 1.00 23.41 C ATOM 1102 O CYS A 79 8.220 4.384 -1.327 1.00 31.25 O ATOM 1103 CB CYS A 79 5.287 4.615 -0.017 1.00 3.13 C ATOM 1104 SG CYS A 79 6.222 5.994 0.719 1.00 41.35 S ATOM 0 H CYS A 79 6.721 2.368 -0.684 1.00 40.35 H new ATOM 0 HA CYS A 79 5.109 4.377 -2.145 1.00 64.53 H new ATOM 0 HB2 CYS A 79 4.249 4.922 -0.145 1.00 3.13 H new ATOM 0 HB3 CYS A 79 5.288 3.777 0.680 1.00 3.13 H new ATOM 1108 N GLN A 80 7.035 6.005 -2.344 1.00 3.45 N ATOM 1109 CA GLN A 80 8.209 6.788 -2.706 1.00 52.32 C ATOM 1110 C GLN A 80 7.927 8.283 -2.579 1.00 63.03 C ATOM 1111 O GLN A 80 6.953 8.789 -3.135 1.00 41.33 O ATOM 1112 CB GLN A 80 8.649 6.459 -4.133 1.00 74.41 C ATOM 1113 CG GLN A 80 7.518 6.519 -5.148 1.00 10.44 C ATOM 1114 CD GLN A 80 7.967 6.145 -6.547 1.00 14.54 C ATOM 1115 OE1 GLN A 80 9.139 6.293 -6.893 1.00 35.10 O ATOM 1116 NE2 GLN A 80 7.036 5.660 -7.357 1.00 42.23 N ATOM 0 H GLN A 80 6.148 6.411 -2.643 1.00 3.45 H new ATOM 0 HA GLN A 80 9.013 6.529 -2.018 1.00 52.32 H new ATOM 0 HB2 GLN A 80 9.432 7.156 -4.433 1.00 74.41 H new ATOM 0 HB3 GLN A 80 9.087 5.461 -4.148 1.00 74.41 H new ATOM 0 HG2 GLN A 80 6.719 5.847 -4.835 1.00 10.44 H new ATOM 0 HG3 GLN A 80 7.101 7.526 -5.162 1.00 10.44 H new ATOM 0 HE21 GLN A 80 6.077 5.555 -7.026 1.00 42.23 H new ATOM 0 HE22 GLN A 80 7.279 5.392 -8.311 1.00 42.23 H new ATOM 1123 N ALA A 81 8.786 8.982 -1.846 1.00 14.40 N ATOM 1124 CA ALA A 81 8.630 10.418 -1.648 1.00 42.32 C ATOM 1125 C ALA A 81 9.943 11.153 -1.902 1.00 24.53 C ATOM 1126 O ALA A 81 11.013 10.545 -1.911 1.00 44.13 O ATOM 1127 CB ALA A 81 8.125 10.705 -0.242 1.00 4.35 C ATOM 0 H ALA A 81 9.598 8.578 -1.379 1.00 14.40 H new ATOM 0 HA ALA A 81 7.896 10.782 -2.367 1.00 42.32 H new ATOM 0 HB1 ALA A 81 8.013 11.781 -0.108 1.00 4.35 H new ATOM 0 HB2 ALA A 81 7.160 10.219 -0.096 1.00 4.35 H new ATOM 0 HB3 ALA A 81 8.839 10.321 0.487 1.00 4.35 H new ATOM 1133 N MET A 82 9.851 12.462 -2.109 1.00 72.14 N ATOM 1134 CA MET A 82 11.032 13.280 -2.362 1.00 43.35 C ATOM 1135 C MET A 82 11.042 14.514 -1.466 1.00 4.24 C ATOM 1136 O MET A 82 10.080 15.280 -1.439 1.00 72.55 O ATOM 1137 CB MET A 82 11.079 13.702 -3.832 1.00 11.42 C ATOM 1138 CG MET A 82 12.162 14.727 -4.134 1.00 24.31 C ATOM 1139 SD MET A 82 13.123 14.310 -5.601 1.00 22.14 S ATOM 1140 CE MET A 82 13.958 12.826 -5.046 1.00 64.11 C ATOM 0 H MET A 82 8.972 12.979 -2.107 1.00 72.14 H new ATOM 0 HA MET A 82 11.914 12.681 -2.134 1.00 43.35 H new ATOM 0 HB2 MET A 82 11.242 12.819 -4.450 1.00 11.42 H new ATOM 0 HB3 MET A 82 10.110 14.114 -4.115 1.00 11.42 H new ATOM 0 HG2 MET A 82 11.702 15.706 -4.272 1.00 24.31 H new ATOM 0 HG3 MET A 82 12.831 14.807 -3.277 1.00 24.31 H new ATOM 0 HE1 MET A 82 15.027 12.918 -5.236 1.00 64.11 H new ATOM 0 HE2 MET A 82 13.789 12.692 -3.978 1.00 64.11 H new ATOM 0 HE3 MET A 82 13.566 11.964 -5.586 1.00 64.11 H new ATOM 1148 N ASN A 83 12.133 14.697 -0.731 1.00 50.22 N ATOM 1149 CA ASN A 83 12.269 15.838 0.167 1.00 5.13 C ATOM 1150 C ASN A 83 12.824 17.050 -0.572 1.00 74.35 C ATOM 1151 O ASN A 83 13.235 16.951 -1.727 1.00 60.53 O ATOM 1152 CB ASN A 83 13.179 15.482 1.345 1.00 65.43 C ATOM 1153 CG ASN A 83 12.796 14.168 1.995 1.00 5.22 C ATOM 1154 OD1 ASN A 83 13.648 13.320 2.254 1.00 4.21 O ATOM 1155 ND2 ASN A 83 11.506 13.994 2.261 1.00 3.34 N ATOM 0 H ASN A 83 12.937 14.069 -0.739 1.00 50.22 H new ATOM 0 HA ASN A 83 11.278 16.090 0.546 1.00 5.13 H new ATOM 0 HB2 ASN A 83 14.211 15.426 0.999 1.00 65.43 H new ATOM 0 HB3 ASN A 83 13.135 16.278 2.088 1.00 65.43 H new ATOM 0 HD21 ASN A 83 11.187 13.129 2.698 1.00 3.34 H new ATOM 0 HD22 ASN A 83 10.834 14.725 2.028 1.00 3.34 H new ATOM 1161 N ARG A 84 12.835 18.196 0.104 1.00 52.03 N ATOM 1162 CA ARG A 84 13.339 19.428 -0.490 1.00 51.53 C ATOM 1163 C ARG A 84 14.859 19.383 -0.624 1.00 71.05 C ATOM 1164 O ARG A 84 15.446 20.140 -1.397 1.00 40.04 O ATOM 1165 CB ARG A 84 12.927 20.632 0.358 1.00 54.51 C ATOM 1166 CG ARG A 84 13.441 21.959 -0.178 1.00 52.04 C ATOM 1167 CD ARG A 84 12.603 23.125 0.323 1.00 11.22 C ATOM 1168 NE ARG A 84 13.365 24.008 1.202 1.00 32.53 N ATOM 1169 CZ ARG A 84 13.581 23.756 2.488 1.00 34.04 C ATOM 1170 NH1 ARG A 84 13.097 22.653 3.043 1.00 32.42 N ATOM 1171 NH2 ARG A 84 14.285 24.607 3.224 1.00 30.32 N ATOM 0 H ARG A 84 12.501 18.296 1.062 1.00 52.03 H new ATOM 0 HA ARG A 84 12.906 19.527 -1.485 1.00 51.53 H new ATOM 0 HB2 ARG A 84 11.839 20.670 0.416 1.00 54.51 H new ATOM 0 HB3 ARG A 84 13.295 20.493 1.374 1.00 54.51 H new ATOM 0 HG2 ARG A 84 14.478 22.098 0.126 1.00 52.04 H new ATOM 0 HG3 ARG A 84 13.428 21.942 -1.268 1.00 52.04 H new ATOM 0 HD2 ARG A 84 12.229 23.695 -0.528 1.00 11.22 H new ATOM 0 HD3 ARG A 84 11.733 22.743 0.858 1.00 11.22 H new ATOM 0 HE ARG A 84 13.752 24.865 0.807 1.00 32.53 H new ATOM 0 HH11 ARG A 84 12.557 21.995 2.482 1.00 32.42 H new ATOM 0 HH12 ARG A 84 13.265 22.463 4.031 1.00 32.42 H new ATOM 0 HH21 ARG A 84 14.661 25.456 2.802 1.00 30.32 H new ATOM 0 HH22 ARG A 84 14.450 24.412 4.211 1.00 30.32 H new ATOM 1182 N ASN A 85 15.490 18.492 0.134 1.00 61.54 N ATOM 1183 CA ASN A 85 16.940 18.349 0.098 1.00 52.40 C ATOM 1184 C ASN A 85 17.387 17.652 -1.183 1.00 40.22 C ATOM 1185 O ASN A 85 18.546 17.755 -1.587 1.00 53.03 O ATOM 1186 CB ASN A 85 17.426 17.561 1.316 1.00 22.13 C ATOM 1187 CG ASN A 85 17.184 18.303 2.618 1.00 30.41 C ATOM 1188 OD1 ASN A 85 16.076 18.296 3.152 1.00 34.44 O ATOM 1189 ND2 ASN A 85 18.225 18.946 3.133 1.00 23.35 N ATOM 0 H ASN A 85 15.020 17.859 0.780 1.00 61.54 H new ATOM 0 HA ASN A 85 17.379 19.347 0.120 1.00 52.40 H new ATOM 0 HB2 ASN A 85 16.917 16.598 1.349 1.00 22.13 H new ATOM 0 HB3 ASN A 85 18.491 17.355 1.211 1.00 22.13 H new ATOM 0 HD21 ASN A 85 18.124 19.462 4.007 1.00 23.35 H new ATOM 0 HD22 ASN A 85 19.126 18.924 2.655 1.00 23.35 H new ATOM 1195 N GLY A 86 16.462 16.940 -1.818 1.00 71.32 N ATOM 1196 CA GLY A 86 16.780 16.236 -3.047 1.00 31.41 C ATOM 1197 C GLY A 86 16.841 14.734 -2.855 1.00 55.13 C ATOM 1198 O GLY A 86 16.948 13.980 -3.823 1.00 32.24 O ATOM 0 H GLY A 86 15.497 16.838 -1.503 1.00 71.32 H new ATOM 0 HA2 GLY A 86 16.030 16.473 -3.802 1.00 31.41 H new ATOM 0 HA3 GLY A 86 17.738 16.590 -3.427 1.00 31.41 H new ATOM 1202 N LYS A 87 16.778 14.296 -1.602 1.00 64.41 N ATOM 1203 CA LYS A 87 16.829 12.874 -1.285 1.00 24.12 C ATOM 1204 C LYS A 87 15.442 12.244 -1.385 1.00 32.35 C ATOM 1205 O LYS A 87 14.437 12.888 -1.085 1.00 5.34 O ATOM 1206 CB LYS A 87 17.395 12.663 0.120 1.00 14.43 C ATOM 1207 CG LYS A 87 18.914 12.653 0.168 1.00 5.23 C ATOM 1208 CD LYS A 87 19.491 14.024 -0.137 1.00 20.45 C ATOM 1209 CE LYS A 87 20.085 14.081 -1.536 1.00 32.34 C ATOM 1210 NZ LYS A 87 20.123 15.472 -2.066 1.00 13.41 N ATOM 0 H LYS A 87 16.691 14.906 -0.789 1.00 64.41 H new ATOM 0 HA LYS A 87 17.483 12.390 -2.010 1.00 24.12 H new ATOM 0 HB2 LYS A 87 17.024 13.452 0.774 1.00 14.43 H new ATOM 0 HB3 LYS A 87 17.021 11.719 0.515 1.00 14.43 H new ATOM 0 HG2 LYS A 87 19.245 12.329 1.155 1.00 5.23 H new ATOM 0 HG3 LYS A 87 19.297 11.928 -0.551 1.00 5.23 H new ATOM 0 HD2 LYS A 87 18.710 14.778 -0.042 1.00 20.45 H new ATOM 0 HD3 LYS A 87 20.260 14.267 0.596 1.00 20.45 H new ATOM 0 HE2 LYS A 87 21.095 13.671 -1.519 1.00 32.34 H new ATOM 0 HE3 LYS A 87 19.498 13.453 -2.206 1.00 32.34 H new ATOM 0 HZ1 LYS A 87 20.051 15.450 -3.103 1.00 13.41 H new ATOM 0 HZ2 LYS A 87 19.327 16.015 -1.675 1.00 13.41 H new ATOM 0 HZ3 LYS A 87 21.018 15.924 -1.791 1.00 13.41 H new ATOM 1220 N GLU A 88 15.397 10.984 -1.805 1.00 73.23 N ATOM 1221 CA GLU A 88 14.133 10.270 -1.942 1.00 54.34 C ATOM 1222 C GLU A 88 13.957 9.256 -0.816 1.00 35.31 C ATOM 1223 O GLU A 88 14.916 8.617 -0.383 1.00 42.24 O ATOM 1224 CB GLU A 88 14.068 9.560 -3.297 1.00 51.31 C ATOM 1225 CG GLU A 88 12.972 8.512 -3.382 1.00 5.42 C ATOM 1226 CD GLU A 88 13.469 7.120 -3.041 1.00 22.30 C ATOM 1227 OE1 GLU A 88 14.650 6.826 -3.325 1.00 31.10 O ATOM 1228 OE2 GLU A 88 12.678 6.326 -2.491 1.00 72.34 O ATOM 0 H GLU A 88 16.220 10.437 -2.056 1.00 73.23 H new ATOM 0 HA GLU A 88 13.324 10.998 -1.882 1.00 54.34 H new ATOM 0 HB2 GLU A 88 13.911 10.302 -4.080 1.00 51.31 H new ATOM 0 HB3 GLU A 88 15.029 9.086 -3.496 1.00 51.31 H new ATOM 0 HG2 GLU A 88 12.163 8.782 -2.703 1.00 5.42 H new ATOM 0 HG3 GLU A 88 12.555 8.508 -4.389 1.00 5.42 H new ATOM 1233 N THR A 89 12.721 9.116 -0.344 1.00 41.32 N ATOM 1234 CA THR A 89 12.418 8.183 0.734 1.00 64.44 C ATOM 1235 C THR A 89 11.754 6.920 0.196 1.00 2.41 C ATOM 1236 O THR A 89 10.802 6.988 -0.581 1.00 51.41 O ATOM 1237 CB THR A 89 11.497 8.822 1.790 1.00 74.52 C ATOM 1238 OG1 THR A 89 11.608 10.250 1.735 1.00 0.21 O ATOM 1239 CG2 THR A 89 11.851 8.334 3.185 1.00 4.34 C ATOM 0 H THR A 89 11.915 9.636 -0.691 1.00 41.32 H new ATOM 0 HA THR A 89 13.367 7.922 1.202 1.00 64.44 H new ATOM 0 HB THR A 89 10.471 8.528 1.571 1.00 74.52 H new ATOM 0 HG1 THR A 89 11.603 10.614 2.645 1.00 0.21 H new ATOM 0 HG21 THR A 89 11.187 8.800 3.913 1.00 4.34 H new ATOM 0 HG22 THR A 89 11.738 7.251 3.231 1.00 4.34 H new ATOM 0 HG23 THR A 89 12.883 8.601 3.413 1.00 4.34 H new ATOM 1247 N LYS A 90 12.264 5.766 0.615 1.00 44.12 N ATOM 1248 CA LYS A 90 11.719 4.486 0.177 1.00 44.24 C ATOM 1249 C LYS A 90 10.907 3.831 1.290 1.00 23.32 C ATOM 1250 O LYS A 90 11.262 3.918 2.466 1.00 44.24 O ATOM 1251 CB LYS A 90 12.848 3.550 -0.261 1.00 75.15 C ATOM 1252 CG LYS A 90 14.176 4.257 -0.468 1.00 12.42 C ATOM 1253 CD LYS A 90 15.164 3.381 -1.220 1.00 14.01 C ATOM 1254 CE LYS A 90 14.698 3.112 -2.642 1.00 62.43 C ATOM 1255 NZ LYS A 90 15.788 2.545 -3.485 1.00 64.31 N ATOM 0 H LYS A 90 13.053 5.691 1.257 1.00 44.12 H new ATOM 0 HA LYS A 90 11.059 4.672 -0.670 1.00 44.24 H new ATOM 0 HB2 LYS A 90 12.974 2.770 0.490 1.00 75.15 H new ATOM 0 HB3 LYS A 90 12.560 3.056 -1.189 1.00 75.15 H new ATOM 0 HG2 LYS A 90 14.014 5.182 -1.021 1.00 12.42 H new ATOM 0 HG3 LYS A 90 14.596 4.534 0.499 1.00 12.42 H new ATOM 0 HD2 LYS A 90 16.140 3.866 -1.241 1.00 14.01 H new ATOM 0 HD3 LYS A 90 15.290 2.436 -0.692 1.00 14.01 H new ATOM 0 HE2 LYS A 90 13.856 2.420 -2.624 1.00 62.43 H new ATOM 0 HE3 LYS A 90 14.339 4.039 -3.088 1.00 62.43 H new ATOM 0 HZ1 LYS A 90 15.431 2.376 -4.447 1.00 64.31 H new ATOM 0 HZ2 LYS A 90 16.582 3.216 -3.524 1.00 64.31 H new ATOM 0 HZ3 LYS A 90 16.114 1.647 -3.074 1.00 64.31 H new ATOM 1265 N SER A 91 9.814 3.175 0.911 1.00 2.34 N ATOM 1266 CA SER A 91 8.949 2.507 1.878 1.00 42.32 C ATOM 1267 C SER A 91 8.344 1.240 1.280 1.00 30.35 C ATOM 1268 O SER A 91 7.689 1.284 0.241 1.00 31.44 O ATOM 1269 CB SER A 91 7.837 3.451 2.336 1.00 60.14 C ATOM 1270 OG SER A 91 8.344 4.749 2.593 1.00 34.22 O ATOM 0 H SER A 91 9.507 3.092 -0.058 1.00 2.34 H new ATOM 0 HA SER A 91 9.555 2.227 2.740 1.00 42.32 H new ATOM 0 HB2 SER A 91 7.063 3.504 1.571 1.00 60.14 H new ATOM 0 HB3 SER A 91 7.368 3.055 3.237 1.00 60.14 H new ATOM 0 HG SER A 91 7.824 5.409 2.089 1.00 34.22 H new ATOM 1275 N ASN A 92 8.568 0.114 1.947 1.00 51.43 N ATOM 1276 CA ASN A 92 8.046 -1.168 1.483 1.00 14.35 C ATOM 1277 C ASN A 92 7.284 -1.879 2.598 1.00 41.45 C ATOM 1278 O ASN A 92 7.834 -2.147 3.666 1.00 54.22 O ATOM 1279 CB ASN A 92 9.186 -2.055 0.980 1.00 12.15 C ATOM 1280 CG ASN A 92 8.865 -2.709 -0.349 1.00 45.12 C ATOM 1281 OD1 ASN A 92 9.508 -2.431 -1.362 1.00 2.42 O ATOM 1282 ND2 ASN A 92 7.866 -3.584 -0.352 1.00 22.14 N ATOM 0 H ASN A 92 9.107 0.062 2.811 1.00 51.43 H new ATOM 0 HA ASN A 92 7.356 -0.976 0.661 1.00 14.35 H new ATOM 0 HB2 ASN A 92 10.091 -1.456 0.878 1.00 12.15 H new ATOM 0 HB3 ASN A 92 9.396 -2.827 1.720 1.00 12.15 H new ATOM 0 HD21 ASN A 92 7.604 -4.056 -1.217 1.00 22.14 H new ATOM 0 HD22 ASN A 92 7.360 -3.784 0.511 1.00 22.14 H new ATOM 1288 N TYR A 93 6.018 -2.184 2.339 1.00 4.30 N ATOM 1289 CA TYR A 93 5.180 -2.864 3.320 1.00 13.21 C ATOM 1290 C TYR A 93 4.518 -4.096 2.711 1.00 11.50 C ATOM 1291 O TYR A 93 3.751 -3.993 1.753 1.00 4.54 O ATOM 1292 CB TYR A 93 4.111 -1.911 3.857 1.00 10.41 C ATOM 1293 CG TYR A 93 4.651 -0.875 4.817 1.00 12.33 C ATOM 1294 CD1 TYR A 93 5.527 0.112 4.384 1.00 14.14 C ATOM 1295 CD2 TYR A 93 4.284 -0.883 6.157 1.00 5.43 C ATOM 1296 CE1 TYR A 93 6.024 1.060 5.259 1.00 33.40 C ATOM 1297 CE2 TYR A 93 4.774 0.061 7.039 1.00 62.23 C ATOM 1298 CZ TYR A 93 5.643 1.030 6.584 1.00 15.44 C ATOM 1299 OH TYR A 93 6.134 1.974 7.458 1.00 44.54 O ATOM 0 H TYR A 93 5.549 -1.971 1.458 1.00 4.30 H new ATOM 0 HA TYR A 93 5.818 -3.186 4.143 1.00 13.21 H new ATOM 0 HB2 TYR A 93 3.634 -1.404 3.018 1.00 10.41 H new ATOM 0 HB3 TYR A 93 3.338 -2.492 4.360 1.00 10.41 H new ATOM 0 HD1 TYR A 93 5.825 0.139 3.346 1.00 14.14 H new ATOM 0 HD2 TYR A 93 3.603 -1.641 6.516 1.00 5.43 H new ATOM 0 HE1 TYR A 93 6.706 1.819 4.907 1.00 33.40 H new ATOM 0 HE2 TYR A 93 4.478 0.040 8.078 1.00 62.23 H new ATOM 0 HH TYR A 93 5.767 1.814 8.353 1.00 44.54 H new ATOM 1308 N ARG A 94 4.822 -5.262 3.272 1.00 22.35 N ATOM 1309 CA ARG A 94 4.258 -6.515 2.786 1.00 22.12 C ATOM 1310 C ARG A 94 2.934 -6.821 3.480 1.00 65.43 C ATOM 1311 O ARG A 94 2.818 -6.705 4.699 1.00 14.05 O ATOM 1312 CB ARG A 94 5.242 -7.664 3.011 1.00 14.42 C ATOM 1313 CG ARG A 94 6.632 -7.392 2.462 1.00 33.25 C ATOM 1314 CD ARG A 94 7.696 -7.543 3.538 1.00 10.44 C ATOM 1315 NE ARG A 94 7.579 -8.815 4.249 1.00 73.42 N ATOM 1316 CZ ARG A 94 7.987 -9.975 3.749 1.00 4.01 C ATOM 1317 NH1 ARG A 94 8.536 -10.026 2.544 1.00 71.32 N ATOM 1318 NH2 ARG A 94 7.845 -11.089 4.457 1.00 52.54 N ATOM 0 H ARG A 94 5.456 -5.365 4.064 1.00 22.35 H new ATOM 0 HA ARG A 94 4.072 -6.410 1.717 1.00 22.12 H new ATOM 0 HB2 ARG A 94 5.316 -7.864 4.080 1.00 14.42 H new ATOM 0 HB3 ARG A 94 4.847 -8.566 2.544 1.00 14.42 H new ATOM 0 HG2 ARG A 94 6.842 -8.080 1.643 1.00 33.25 H new ATOM 0 HG3 ARG A 94 6.671 -6.384 2.050 1.00 33.25 H new ATOM 0 HD2 ARG A 94 8.684 -7.471 3.083 1.00 10.44 H new ATOM 0 HD3 ARG A 94 7.612 -6.721 4.249 1.00 10.44 H new ATOM 0 HE ARG A 94 7.161 -8.811 5.180 1.00 73.42 H new ATOM 0 HH11 ARG A 94 8.646 -9.172 1.997 1.00 71.32 H new ATOM 0 HH12 ARG A 94 8.848 -10.919 2.163 1.00 71.32 H new ATOM 0 HH21 ARG A 94 7.423 -11.053 5.385 1.00 52.54 H new ATOM 0 HH22 ARG A 94 8.158 -11.981 4.073 1.00 52.54 H new ATOM 1329 N VAL A 95 1.935 -7.214 2.693 1.00 32.11 N ATOM 1330 CA VAL A 95 0.620 -7.538 3.231 1.00 15.23 C ATOM 1331 C VAL A 95 0.235 -8.978 2.912 1.00 64.33 C ATOM 1332 O VAL A 95 0.420 -9.446 1.789 1.00 0.12 O ATOM 1333 CB VAL A 95 -0.461 -6.593 2.676 1.00 24.52 C ATOM 1334 CG1 VAL A 95 -1.849 -7.080 3.066 1.00 40.32 C ATOM 1335 CG2 VAL A 95 -0.230 -5.172 3.166 1.00 22.04 C ATOM 0 H VAL A 95 2.013 -7.315 1.681 1.00 32.11 H new ATOM 0 HA VAL A 95 0.680 -7.413 4.312 1.00 15.23 H new ATOM 0 HB VAL A 95 -0.394 -6.594 1.588 1.00 24.52 H new ATOM 0 HG11 VAL A 95 -2.600 -6.399 2.665 1.00 40.32 H new ATOM 0 HG12 VAL A 95 -2.011 -8.079 2.661 1.00 40.32 H new ATOM 0 HG13 VAL A 95 -1.932 -7.111 4.152 1.00 40.32 H new ATOM 0 HG21 VAL A 95 -1.004 -4.518 2.764 1.00 22.04 H new ATOM 0 HG22 VAL A 95 -0.268 -5.152 4.255 1.00 22.04 H new ATOM 0 HG23 VAL A 95 0.748 -4.826 2.831 1.00 22.04 H new ATOM 1345 N ARG A 96 -0.303 -9.675 3.907 1.00 40.23 N ATOM 1346 CA ARG A 96 -0.714 -11.064 3.732 1.00 13.10 C ATOM 1347 C ARG A 96 -2.133 -11.280 4.250 1.00 13.03 C ATOM 1348 O ARG A 96 -2.468 -10.867 5.361 1.00 41.13 O ATOM 1349 CB ARG A 96 0.254 -12.000 4.457 1.00 71.41 C ATOM 1350 CG ARG A 96 -0.330 -13.373 4.748 1.00 75.35 C ATOM 1351 CD ARG A 96 -0.588 -14.150 3.466 1.00 42.11 C ATOM 1352 NE ARG A 96 -1.148 -15.473 3.732 1.00 54.21 N ATOM 1353 CZ ARG A 96 -0.456 -16.467 4.277 1.00 4.44 C ATOM 1354 NH1 ARG A 96 0.813 -16.290 4.615 1.00 72.23 N ATOM 1355 NH2 ARG A 96 -1.036 -17.642 4.489 1.00 3.23 N ATOM 0 H ARG A 96 -0.465 -9.302 4.842 1.00 40.23 H new ATOM 0 HA ARG A 96 -0.697 -11.291 2.666 1.00 13.10 H new ATOM 0 HB2 ARG A 96 1.154 -12.118 3.853 1.00 71.41 H new ATOM 0 HB3 ARG A 96 0.559 -11.538 5.396 1.00 71.41 H new ATOM 0 HG2 ARG A 96 0.355 -13.934 5.384 1.00 75.35 H new ATOM 0 HG3 ARG A 96 -1.262 -13.263 5.303 1.00 75.35 H new ATOM 0 HD2 ARG A 96 -1.273 -13.587 2.832 1.00 42.11 H new ATOM 0 HD3 ARG A 96 0.345 -14.256 2.912 1.00 42.11 H new ATOM 0 HE ARG A 96 -2.123 -15.642 3.486 1.00 54.21 H new ATOM 0 HH11 ARG A 96 1.262 -15.388 4.457 1.00 72.23 H new ATOM 0 HH12 ARG A 96 1.341 -17.056 5.033 1.00 72.23 H new ATOM 0 HH21 ARG A 96 -2.013 -17.782 4.233 1.00 3.23 H new ATOM 0 HH22 ARG A 96 -0.504 -18.405 4.908 1.00 3.23 H new ATOM 1366 N VAL A 97 -2.961 -11.929 3.439 1.00 21.44 N ATOM 1367 CA VAL A 97 -4.343 -12.200 3.816 1.00 64.53 C ATOM 1368 C VAL A 97 -4.491 -13.603 4.393 1.00 51.41 C ATOM 1369 O VAL A 97 -3.507 -14.329 4.548 1.00 73.35 O ATOM 1370 CB VAL A 97 -5.293 -12.050 2.613 1.00 22.13 C ATOM 1371 CG1 VAL A 97 -5.158 -10.667 1.995 1.00 34.24 C ATOM 1372 CG2 VAL A 97 -5.020 -13.133 1.580 1.00 73.33 C ATOM 0 H VAL A 97 -2.699 -12.277 2.517 1.00 21.44 H new ATOM 0 HA VAL A 97 -4.612 -11.467 4.576 1.00 64.53 H new ATOM 0 HB VAL A 97 -6.318 -12.166 2.965 1.00 22.13 H new ATOM 0 HG11 VAL A 97 -5.837 -10.580 1.147 1.00 34.24 H new ATOM 0 HG12 VAL A 97 -5.408 -9.910 2.739 1.00 34.24 H new ATOM 0 HG13 VAL A 97 -4.133 -10.518 1.656 1.00 34.24 H new ATOM 0 HG21 VAL A 97 -5.700 -13.012 0.737 1.00 73.33 H new ATOM 0 HG22 VAL A 97 -3.991 -13.051 1.230 1.00 73.33 H new ATOM 0 HG23 VAL A 97 -5.173 -14.113 2.031 1.00 73.33 H new ATOM 1382 N TYR A 98 -5.724 -13.980 4.709 1.00 4.44 N ATOM 1383 CA TYR A 98 -6.000 -15.298 5.271 1.00 34.24 C ATOM 1384 C TYR A 98 -5.733 -16.395 4.245 1.00 70.33 C ATOM 1385 O TYR A 98 -4.701 -17.063 4.291 1.00 63.21 O ATOM 1386 CB TYR A 98 -7.450 -15.376 5.753 1.00 52.22 C ATOM 1387 CG TYR A 98 -7.830 -16.729 6.309 1.00 5.21 C ATOM 1388 CD1 TYR A 98 -6.919 -17.487 7.034 1.00 13.01 C ATOM 1389 CD2 TYR A 98 -9.102 -17.251 6.110 1.00 63.53 C ATOM 1390 CE1 TYR A 98 -7.263 -18.724 7.542 1.00 13.15 C ATOM 1391 CE2 TYR A 98 -9.456 -18.487 6.616 1.00 12.35 C ATOM 1392 CZ TYR A 98 -8.532 -19.219 7.331 1.00 10.42 C ATOM 1393 OH TYR A 98 -8.878 -20.452 7.837 1.00 3.14 O ATOM 0 H TYR A 98 -6.549 -13.393 4.586 1.00 4.44 H new ATOM 0 HA TYR A 98 -5.333 -15.450 6.120 1.00 34.24 H new ATOM 0 HB2 TYR A 98 -7.610 -14.619 6.521 1.00 52.22 H new ATOM 0 HB3 TYR A 98 -8.114 -15.134 4.923 1.00 52.22 H new ATOM 0 HD1 TYR A 98 -5.924 -17.102 7.203 1.00 13.01 H new ATOM 0 HD2 TYR A 98 -9.827 -16.680 5.549 1.00 63.53 H new ATOM 0 HE1 TYR A 98 -6.542 -19.301 8.102 1.00 13.15 H new ATOM 0 HE2 TYR A 98 -10.450 -18.877 6.453 1.00 12.35 H new ATOM 0 HH TYR A 98 -9.808 -20.653 7.601 1.00 3.14 H new ATOM 1402 N GLN A 99 -6.672 -16.572 3.322 1.00 73.42 N ATOM 1403 CA GLN A 99 -6.539 -17.587 2.283 1.00 4.44 C ATOM 1404 C GLN A 99 -5.351 -17.287 1.377 1.00 1.40 C ATOM 1405 O GLN A 99 -5.086 -16.131 1.047 1.00 11.33 O ATOM 1406 CB GLN A 99 -7.821 -17.669 1.453 1.00 62.30 C ATOM 1407 CG GLN A 99 -8.646 -18.916 1.728 1.00 52.34 C ATOM 1408 CD GLN A 99 -8.973 -19.088 3.197 1.00 14.33 C ATOM 1409 OE1 GLN A 99 -8.123 -19.816 3.913 1.00 55.14 O flip ATOM 1410 NE2 GLN A 99 -9.978 -18.572 3.687 1.00 42.52 N flip ATOM 0 H GLN A 99 -7.533 -16.027 3.272 1.00 73.42 H new ATOM 0 HA GLN A 99 -6.368 -18.547 2.769 1.00 4.44 H new ATOM 0 HB2 GLN A 99 -8.431 -16.788 1.654 1.00 62.30 H new ATOM 0 HB3 GLN A 99 -7.561 -17.642 0.395 1.00 62.30 H new ATOM 0 HG2 GLN A 99 -9.573 -18.867 1.157 1.00 52.34 H new ATOM 0 HG3 GLN A 99 -8.101 -19.792 1.376 1.00 52.34 H new ATOM 0 HE21 GLN A 99 -10.605 -18.020 3.102 1.00 42.52 H new ATOM 0 HE22 GLN A 99 -10.183 -18.696 4.678 1.00 42.52 H new ATOM 1417 N ILE A 100 -4.639 -18.335 0.977 1.00 40.44 N ATOM 1418 CA ILE A 100 -3.478 -18.182 0.108 1.00 64.51 C ATOM 1419 C ILE A 100 -3.656 -18.966 -1.189 1.00 22.52 C ATOM 1420 O ILE A 100 -4.456 -19.897 -1.276 1.00 23.21 O ATOM 1421 CB ILE A 100 -2.187 -18.652 0.804 1.00 44.33 C ATOM 1422 CG1 ILE A 100 -2.516 -19.653 1.914 1.00 71.04 C ATOM 1423 CG2 ILE A 100 -1.425 -17.461 1.365 1.00 74.32 C ATOM 1424 CD1 ILE A 100 -1.291 -20.255 2.566 1.00 14.24 C ATOM 0 H ILE A 100 -4.845 -19.299 1.240 1.00 40.44 H new ATOM 0 HA ILE A 100 -3.392 -17.119 -0.120 1.00 64.51 H new ATOM 0 HB ILE A 100 -1.555 -19.149 0.069 1.00 44.33 H new ATOM 0 HG12 ILE A 100 -3.115 -19.155 2.676 1.00 71.04 H new ATOM 0 HG13 ILE A 100 -3.128 -20.454 1.500 1.00 71.04 H new ATOM 0 HG21 ILE A 100 -0.515 -17.809 1.854 1.00 74.32 H new ATOM 0 HG22 ILE A 100 -1.164 -16.781 0.554 1.00 74.32 H new ATOM 0 HG23 ILE A 100 -2.049 -16.938 2.090 1.00 74.32 H new ATOM 0 HD11 ILE A 100 -1.599 -20.955 3.343 1.00 14.24 H new ATOM 0 HD12 ILE A 100 -0.701 -20.782 1.816 1.00 14.24 H new ATOM 0 HD13 ILE A 100 -0.688 -19.462 3.010 1.00 14.24 H new ATOM 1435 N PRO A 101 -2.891 -18.581 -2.221 1.00 70.34 N ATOM 1436 CA PRO A 101 -2.944 -19.235 -3.532 1.00 62.24 C ATOM 1437 C PRO A 101 -2.365 -20.646 -3.502 1.00 12.51 C ATOM 1438 O PRO A 101 -1.754 -21.054 -2.514 1.00 34.11 O ATOM 1439 CB PRO A 101 -2.089 -18.325 -4.418 1.00 43.01 C ATOM 1440 CG PRO A 101 -1.155 -17.649 -3.475 1.00 50.25 C ATOM 1441 CD PRO A 101 -1.915 -17.479 -2.189 1.00 64.30 C ATOM 0 HA PRO A 101 -3.968 -19.356 -3.884 1.00 62.24 H new ATOM 0 HB2 PRO A 101 -1.547 -18.899 -5.169 1.00 43.01 H new ATOM 0 HB3 PRO A 101 -2.704 -17.601 -4.953 1.00 43.01 H new ATOM 0 HG2 PRO A 101 -0.256 -18.246 -3.321 1.00 50.25 H new ATOM 0 HG3 PRO A 101 -0.833 -16.685 -3.869 1.00 50.25 H new ATOM 0 HD2 PRO A 101 -1.258 -17.549 -1.322 1.00 64.30 H new ATOM 0 HD3 PRO A 101 -2.407 -16.508 -2.139 1.00 64.30 H new