USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 876 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= -3.28 X(o=-7.5,f=-7.1!) USER MOD Set 1.2: A 27 HIS : no HE2:sc= -2.21 X(o=-7.5,f=-7.1) USER MOD Set 1.3: A 102 ASN : amide:sc= -1.96 K(o=-7.5,f=-11!) USER MOD Set 2.1: A 65 ASN : amide:sc=-0.000774 X(o=-0.43,f=-0.43) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.427 K(o=-0.43,f=0.44) USER MOD Set 3.1: A 64 CYS SG : rot 180:sc= -0.595 USER MOD Set 3.2: A 84 GLN : amide:sc= -1.28 K(o=-1.9,f=-3.1) USER MOD Set 4.1: A 43 GLN : amide:sc= -1.13 K(o=-1.3,f=-2.4) USER MOD Set 4.2: A 74 MET CE :methyl -132:sc= -0.134 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0118 (180deg=-0.25) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 51:sc= 0.0822 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.42) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00732 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 49 TYR OH : rot 165:sc= -0.283 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0402 (180deg=-0.337) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00289 K(o=-0.0029,f=-0.98) USER MOD Single : A 81 GLN : amide:sc= -0.737 K(o=-0.74,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.76) USER MOD Single : A 99 GLN : amide:sc= -2.42 K(o=-2.4,f=-8.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -120:sc= 0.372 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.501 -33.205 -54.036 1.00 0.00 N ATOM 2 CA MET A 1 -24.693 -32.990 -53.225 1.00 0.00 C ATOM 3 C MET A 1 -24.510 -33.565 -51.825 1.00 0.00 C ATOM 4 O MET A 1 -24.971 -34.668 -51.531 1.00 0.00 O ATOM 5 CB MET A 1 -25.913 -33.627 -53.895 1.00 0.00 C ATOM 6 CG MET A 1 -26.318 -32.946 -55.193 1.00 0.00 C ATOM 7 SD MET A 1 -26.754 -34.125 -56.486 1.00 0.00 S ATOM 8 CE MET A 1 -28.486 -33.739 -56.725 1.00 0.00 C ATOM 0 H1 MET A 1 -23.474 -32.505 -54.805 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.654 -33.100 -53.442 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.524 -34.163 -54.440 1.00 0.00 H new ATOM 0 HA MET A 1 -24.854 -31.915 -53.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.700 -34.677 -54.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.754 -33.599 -53.202 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.166 -32.288 -55.005 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.498 -32.317 -55.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.900 -34.387 -57.497 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.026 -33.896 -55.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.588 -32.698 -57.032 1.00 0.00 H new ATOM 17 N SER A 2 -23.833 -32.812 -50.964 1.00 0.00 N ATOM 18 CA SER A 2 -23.584 -33.250 -49.596 1.00 0.00 C ATOM 19 C SER A 2 -23.158 -32.077 -48.719 1.00 0.00 C ATOM 20 O SER A 2 -22.000 -31.657 -48.744 1.00 0.00 O ATOM 21 CB SER A 2 -22.506 -34.335 -49.574 1.00 0.00 C ATOM 22 OG SER A 2 -21.922 -34.448 -48.287 1.00 0.00 O ATOM 0 H SER A 2 -23.447 -31.895 -51.190 1.00 0.00 H new ATOM 0 HA SER A 2 -24.512 -33.661 -49.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.942 -35.291 -49.864 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.735 -34.101 -50.308 1.00 0.00 H new ATOM 0 HG SER A 2 -21.237 -35.149 -48.299 1.00 0.00 H new ATOM 28 N ILE A 3 -24.100 -31.551 -47.944 1.00 0.00 N ATOM 29 CA ILE A 3 -23.823 -30.427 -47.059 1.00 0.00 C ATOM 30 C ILE A 3 -23.810 -30.866 -45.599 1.00 0.00 C ATOM 31 O ILE A 3 -24.836 -31.272 -45.055 1.00 0.00 O ATOM 32 CB ILE A 3 -24.860 -29.302 -47.235 1.00 0.00 C ATOM 33 CG1 ILE A 3 -24.900 -28.839 -48.693 1.00 0.00 C ATOM 34 CG2 ILE A 3 -24.539 -28.136 -46.312 1.00 0.00 C ATOM 35 CD1 ILE A 3 -23.569 -28.334 -49.204 1.00 0.00 C ATOM 0 H ILE A 3 -25.063 -31.886 -47.911 1.00 0.00 H new ATOM 0 HA ILE A 3 -22.838 -30.048 -47.331 1.00 0.00 H new ATOM 0 HB ILE A 3 -25.843 -29.690 -46.969 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -25.230 -29.668 -49.320 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -25.643 -28.048 -48.794 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -25.281 -27.349 -46.448 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -24.557 -28.476 -45.277 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -23.549 -27.746 -46.549 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -23.673 -28.023 -50.244 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -23.246 -27.485 -48.602 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -22.827 -29.130 -49.136 1.00 0.00 H new ATOM 47 N GLU A 4 -22.642 -30.782 -44.971 1.00 0.00 N ATOM 48 CA GLU A 4 -22.495 -31.170 -43.574 1.00 0.00 C ATOM 49 C GLU A 4 -21.728 -30.110 -42.791 1.00 0.00 C ATOM 50 O GLU A 4 -20.795 -29.497 -43.307 1.00 0.00 O ATOM 51 CB GLU A 4 -21.777 -32.517 -43.468 1.00 0.00 C ATOM 52 CG GLU A 4 -22.077 -33.270 -42.183 1.00 0.00 C ATOM 53 CD GLU A 4 -20.905 -34.105 -41.707 1.00 0.00 C ATOM 54 OE1 GLU A 4 -19.865 -33.518 -41.348 1.00 0.00 O ATOM 55 OE2 GLU A 4 -21.030 -35.348 -41.696 1.00 0.00 O ATOM 0 H GLU A 4 -21.783 -30.448 -45.408 1.00 0.00 H new ATOM 0 HA GLU A 4 -23.492 -31.263 -43.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.061 -33.138 -44.317 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -20.702 -32.352 -43.539 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -22.350 -32.558 -41.405 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.940 -33.918 -42.339 1.00 0.00 H new ATOM 62 N ASN A 5 -22.130 -29.898 -41.542 1.00 0.00 N ATOM 63 CA ASN A 5 -21.481 -28.910 -40.686 1.00 0.00 C ATOM 64 C ASN A 5 -21.974 -29.028 -39.247 1.00 0.00 C ATOM 65 O ASN A 5 -23.176 -28.989 -38.986 1.00 0.00 O ATOM 66 CB ASN A 5 -21.745 -27.498 -41.213 1.00 0.00 C ATOM 67 CG ASN A 5 -23.217 -27.248 -41.487 1.00 0.00 C ATOM 68 OD1 ASN A 5 -24.013 -27.096 -40.562 1.00 0.00 O ATOM 69 ND2 ASN A 5 -23.580 -27.207 -42.762 1.00 0.00 N ATOM 0 H ASN A 5 -22.902 -30.397 -41.100 1.00 0.00 H new ATOM 0 HA ASN A 5 -20.408 -29.102 -40.700 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -21.384 -26.769 -40.487 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -21.176 -27.343 -42.130 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -24.556 -27.044 -43.009 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -22.883 -27.339 -43.495 1.00 0.00 H new ATOM 76 N LEU A 6 -21.036 -29.175 -38.318 1.00 0.00 N ATOM 77 CA LEU A 6 -21.373 -29.299 -36.904 1.00 0.00 C ATOM 78 C LEU A 6 -20.315 -28.630 -36.031 1.00 0.00 C ATOM 79 O LEU A 6 -19.117 -28.754 -36.284 1.00 0.00 O ATOM 80 CB LEU A 6 -21.509 -30.773 -36.519 1.00 0.00 C ATOM 81 CG LEU A 6 -22.830 -31.445 -36.900 1.00 0.00 C ATOM 82 CD1 LEU A 6 -22.647 -32.951 -37.014 1.00 0.00 C ATOM 83 CD2 LEU A 6 -23.911 -31.113 -35.883 1.00 0.00 C ATOM 0 H LEU A 6 -20.036 -29.211 -38.518 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.326 -28.797 -36.738 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.694 -31.327 -36.986 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.377 -30.860 -35.441 1.00 0.00 H new ATOM 0 HG LEU A 6 -23.144 -31.062 -37.871 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -23.596 -33.413 -37.286 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -21.904 -33.170 -37.781 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.310 -33.350 -36.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -24.843 -31.600 -36.171 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -23.605 -31.467 -34.898 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.060 -30.034 -35.850 1.00 0.00 H new ATOM 95 N LYS A 7 -20.767 -27.923 -35.001 1.00 0.00 N ATOM 96 CA LYS A 7 -19.862 -27.237 -34.087 1.00 0.00 C ATOM 97 C LYS A 7 -20.469 -27.137 -32.692 1.00 0.00 C ATOM 98 O LYS A 7 -21.690 -27.124 -32.536 1.00 0.00 O ATOM 99 CB LYS A 7 -19.535 -25.836 -34.614 1.00 0.00 C ATOM 100 CG LYS A 7 -20.754 -24.941 -34.751 1.00 0.00 C ATOM 101 CD LYS A 7 -20.360 -23.475 -34.839 1.00 0.00 C ATOM 102 CE LYS A 7 -21.373 -22.673 -35.642 1.00 0.00 C ATOM 103 NZ LYS A 7 -22.684 -22.577 -34.942 1.00 0.00 N ATOM 0 H LYS A 7 -21.756 -27.810 -34.778 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.942 -27.819 -34.023 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.819 -25.362 -33.942 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.049 -25.926 -35.586 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.315 -25.222 -35.642 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.415 -25.091 -33.897 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -20.278 -23.058 -33.835 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -19.377 -23.388 -35.302 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.983 -21.671 -35.822 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -21.515 -23.139 -36.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.347 -22.023 -35.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.069 -23.532 -34.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.553 -22.109 -34.023 1.00 0.00 H new ATOM 117 N SER A 8 -19.609 -27.066 -31.680 1.00 0.00 N ATOM 118 CA SER A 8 -20.061 -26.969 -30.298 1.00 0.00 C ATOM 119 C SER A 8 -18.920 -26.537 -29.382 1.00 0.00 C ATOM 120 O SER A 8 -17.803 -27.046 -29.478 1.00 0.00 O ATOM 121 CB SER A 8 -20.625 -28.313 -29.828 1.00 0.00 C ATOM 122 OG SER A 8 -22.038 -28.266 -29.729 1.00 0.00 O ATOM 0 H SER A 8 -18.595 -27.074 -31.792 1.00 0.00 H new ATOM 0 HA SER A 8 -20.847 -26.216 -30.251 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.332 -29.098 -30.525 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.198 -28.572 -28.859 1.00 0.00 H new ATOM 0 HG SER A 8 -22.413 -27.913 -30.563 1.00 0.00 H new ATOM 128 N PHE A 9 -19.209 -25.593 -28.493 1.00 0.00 N ATOM 129 CA PHE A 9 -18.209 -25.089 -27.560 1.00 0.00 C ATOM 130 C PHE A 9 -18.828 -24.819 -26.192 1.00 0.00 C ATOM 131 O PHE A 9 -20.014 -24.505 -26.086 1.00 0.00 O ATOM 132 CB PHE A 9 -17.570 -23.809 -28.104 1.00 0.00 C ATOM 133 CG PHE A 9 -16.091 -23.930 -28.339 1.00 0.00 C ATOM 134 CD1 PHE A 9 -15.605 -24.515 -29.496 1.00 0.00 C ATOM 135 CD2 PHE A 9 -15.188 -23.458 -27.400 1.00 0.00 C ATOM 136 CE1 PHE A 9 -14.246 -24.627 -29.715 1.00 0.00 C ATOM 137 CE2 PHE A 9 -13.826 -23.567 -27.613 1.00 0.00 C ATOM 138 CZ PHE A 9 -13.354 -24.151 -28.773 1.00 0.00 C ATOM 0 H PHE A 9 -20.128 -25.161 -28.399 1.00 0.00 H new ATOM 0 HA PHE A 9 -17.439 -25.852 -27.447 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -18.058 -23.539 -29.041 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.753 -22.995 -27.403 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -16.297 -24.888 -30.236 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -15.552 -23.000 -26.492 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -13.881 -25.086 -30.622 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -13.132 -23.196 -26.873 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.291 -24.235 -28.943 1.00 0.00 H new ATOM 148 N ASP A 10 -18.017 -24.944 -25.147 1.00 0.00 N ATOM 149 CA ASP A 10 -18.485 -24.715 -23.785 1.00 0.00 C ATOM 150 C ASP A 10 -17.490 -23.856 -23.007 1.00 0.00 C ATOM 151 O ASP A 10 -16.318 -23.743 -23.365 1.00 0.00 O ATOM 152 CB ASP A 10 -18.700 -26.046 -23.063 1.00 0.00 C ATOM 153 CG ASP A 10 -17.712 -27.109 -23.505 1.00 0.00 C ATOM 154 OD1 ASP A 10 -18.008 -27.824 -24.484 1.00 0.00 O ATOM 155 OD2 ASP A 10 -16.643 -27.224 -22.871 1.00 0.00 O ATOM 0 H ASP A 10 -17.033 -25.203 -25.217 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.435 -24.184 -23.839 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.608 -25.892 -21.988 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.715 -26.397 -23.249 1.00 0.00 H new ATOM 160 N PRO A 11 -17.969 -23.235 -21.918 1.00 0.00 N ATOM 161 CA PRO A 11 -17.139 -22.376 -21.068 1.00 0.00 C ATOM 162 C PRO A 11 -16.101 -23.169 -20.282 1.00 0.00 C ATOM 163 O PRO A 11 -16.445 -23.964 -19.406 1.00 0.00 O ATOM 164 CB PRO A 11 -18.152 -21.732 -20.119 1.00 0.00 C ATOM 165 CG PRO A 11 -19.290 -22.692 -20.071 1.00 0.00 C ATOM 166 CD PRO A 11 -19.356 -23.325 -21.433 1.00 0.00 C ATOM 0 HA PRO A 11 -16.565 -21.657 -21.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.723 -21.576 -19.129 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.472 -20.756 -20.485 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.133 -23.445 -19.298 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.222 -22.180 -19.833 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -19.697 -24.359 -21.380 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -20.046 -22.795 -22.089 1.00 0.00 H new ATOM 174 N PHE A 12 -14.830 -22.946 -20.596 1.00 0.00 N ATOM 175 CA PHE A 12 -13.740 -23.640 -19.918 1.00 0.00 C ATOM 176 C PHE A 12 -13.823 -23.437 -18.409 1.00 0.00 C ATOM 177 O PHE A 12 -13.743 -24.392 -17.637 1.00 0.00 O ATOM 178 CB PHE A 12 -12.390 -23.145 -20.439 1.00 0.00 C ATOM 179 CG PHE A 12 -11.215 -23.827 -19.798 1.00 0.00 C ATOM 180 CD1 PHE A 12 -11.048 -25.198 -19.906 1.00 0.00 C ATOM 181 CD2 PHE A 12 -10.275 -23.096 -19.088 1.00 0.00 C ATOM 182 CE1 PHE A 12 -9.969 -25.827 -19.317 1.00 0.00 C ATOM 183 CE2 PHE A 12 -9.192 -23.720 -18.496 1.00 0.00 C ATOM 184 CZ PHE A 12 -9.039 -25.087 -18.613 1.00 0.00 C ATOM 0 H PHE A 12 -14.528 -22.290 -21.316 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.833 -24.705 -20.129 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.346 -23.300 -21.517 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.315 -22.071 -20.268 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.770 -25.782 -20.457 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.390 -22.026 -18.996 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.852 -26.897 -19.407 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.468 -23.139 -17.944 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.193 -25.577 -18.155 1.00 0.00 H new ATOM 194 N ALA A 13 -13.981 -22.183 -17.995 1.00 0.00 N ATOM 195 CA ALA A 13 -14.076 -21.853 -16.578 1.00 0.00 C ATOM 196 C ALA A 13 -14.479 -20.396 -16.380 1.00 0.00 C ATOM 197 O ALA A 13 -14.487 -19.610 -17.327 1.00 0.00 O ATOM 198 CB ALA A 13 -12.753 -22.137 -15.882 1.00 0.00 C ATOM 0 H ALA A 13 -14.046 -21.380 -18.621 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.850 -22.479 -16.134 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.837 -21.886 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.507 -23.194 -15.986 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.966 -21.535 -16.336 1.00 0.00 H new ATOM 204 N ASP A 14 -14.811 -20.042 -15.144 1.00 0.00 N ATOM 205 CA ASP A 14 -15.216 -18.678 -14.821 1.00 0.00 C ATOM 206 C ASP A 14 -14.223 -18.031 -13.860 1.00 0.00 C ATOM 207 O ASP A 14 -13.328 -18.692 -13.334 1.00 0.00 O ATOM 208 CB ASP A 14 -16.616 -18.670 -14.208 1.00 0.00 C ATOM 209 CG ASP A 14 -16.787 -19.730 -13.138 1.00 0.00 C ATOM 210 OD1 ASP A 14 -16.032 -19.697 -12.144 1.00 0.00 O ATOM 211 OD2 ASP A 14 -17.676 -20.594 -13.295 1.00 0.00 O ATOM 0 H ASP A 14 -14.808 -20.680 -14.348 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.230 -18.101 -15.745 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.815 -17.689 -13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.354 -18.829 -14.994 1.00 0.00 H new ATOM 216 N THR A 15 -14.386 -16.730 -13.637 1.00 0.00 N ATOM 217 CA THR A 15 -13.504 -15.992 -12.741 1.00 0.00 C ATOM 218 C THR A 15 -14.301 -15.106 -11.790 1.00 0.00 C ATOM 219 O THR A 15 -15.339 -14.558 -12.159 1.00 0.00 O ATOM 220 CB THR A 15 -12.510 -15.117 -13.528 1.00 0.00 C ATOM 221 OG1 THR A 15 -13.175 -14.493 -14.632 1.00 0.00 O ATOM 222 CG2 THR A 15 -11.341 -15.948 -14.035 1.00 0.00 C ATOM 0 H THR A 15 -15.121 -16.166 -14.065 1.00 0.00 H new ATOM 0 HA THR A 15 -12.949 -16.732 -12.164 1.00 0.00 H new ATOM 0 HB THR A 15 -12.124 -14.350 -12.857 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.537 -13.937 -15.126 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.653 -15.309 -14.588 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.820 -16.397 -13.189 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.712 -16.735 -14.692 1.00 0.00 H new ATOM 230 N GLY A 16 -13.809 -14.969 -10.563 1.00 0.00 N ATOM 231 CA GLY A 16 -14.487 -14.148 -9.578 1.00 0.00 C ATOM 232 C GLY A 16 -13.673 -13.967 -8.313 1.00 0.00 C ATOM 233 O GLY A 16 -12.582 -14.521 -8.185 1.00 0.00 O ATOM 0 H GLY A 16 -12.952 -15.413 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.702 -13.171 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.445 -14.604 -9.328 1.00 0.00 H new ATOM 237 N ASP A 17 -14.203 -13.187 -7.377 1.00 0.00 N ATOM 238 CA ASP A 17 -13.517 -12.933 -6.115 1.00 0.00 C ATOM 239 C ASP A 17 -14.275 -13.558 -4.949 1.00 0.00 C ATOM 240 O ASP A 17 -15.504 -13.495 -4.889 1.00 0.00 O ATOM 241 CB ASP A 17 -13.359 -11.428 -5.891 1.00 0.00 C ATOM 242 CG ASP A 17 -14.684 -10.741 -5.621 1.00 0.00 C ATOM 243 OD1 ASP A 17 -15.549 -10.744 -6.522 1.00 0.00 O ATOM 244 OD2 ASP A 17 -14.856 -10.203 -4.507 1.00 0.00 O ATOM 0 H ASP A 17 -15.105 -12.720 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.529 -13.390 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.686 -11.257 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.893 -10.980 -6.768 1.00 0.00 H new ATOM 249 N ASP A 18 -13.537 -14.161 -4.025 1.00 0.00 N ATOM 250 CA ASP A 18 -14.140 -14.798 -2.860 1.00 0.00 C ATOM 251 C ASP A 18 -13.686 -14.117 -1.573 1.00 0.00 C ATOM 252 O ASP A 18 -14.457 -13.981 -0.625 1.00 0.00 O ATOM 253 CB ASP A 18 -13.779 -16.283 -2.820 1.00 0.00 C ATOM 254 CG ASP A 18 -14.033 -16.977 -4.145 1.00 0.00 C ATOM 255 OD1 ASP A 18 -15.000 -16.595 -4.837 1.00 0.00 O ATOM 256 OD2 ASP A 18 -13.267 -17.900 -4.488 1.00 0.00 O ATOM 0 H ASP A 18 -12.519 -14.222 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.222 -14.697 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.728 -16.391 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.359 -16.774 -2.039 1.00 0.00 H new ATOM 261 N GLU A 19 -12.425 -13.692 -1.546 1.00 0.00 N ATOM 262 CA GLU A 19 -11.868 -13.028 -0.374 1.00 0.00 C ATOM 263 C GLU A 19 -11.830 -11.515 -0.573 1.00 0.00 C ATOM 264 O GLU A 19 -11.279 -11.020 -1.556 1.00 0.00 O ATOM 265 CB GLU A 19 -10.460 -13.551 -0.085 1.00 0.00 C ATOM 266 CG GLU A 19 -9.519 -13.457 -1.276 1.00 0.00 C ATOM 267 CD GLU A 19 -9.100 -14.818 -1.795 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.764 -15.691 -0.968 1.00 0.00 O ATOM 269 OE2 GLU A 19 -9.107 -15.010 -3.028 1.00 0.00 O ATOM 0 H GLU A 19 -11.772 -13.796 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.511 -13.249 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.036 -12.989 0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.526 -14.591 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.006 -12.901 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.632 -12.892 -0.990 1.00 0.00 H new ATOM 276 N THR A 20 -12.421 -10.785 0.367 1.00 0.00 N ATOM 277 CA THR A 20 -12.457 -9.330 0.296 1.00 0.00 C ATOM 278 C THR A 20 -11.376 -8.709 1.175 1.00 0.00 C ATOM 279 O THR A 20 -10.519 -7.971 0.692 1.00 0.00 O ATOM 280 CB THR A 20 -13.830 -8.780 0.724 1.00 0.00 C ATOM 281 OG1 THR A 20 -14.504 -9.734 1.553 1.00 0.00 O ATOM 282 CG2 THR A 20 -14.688 -8.461 -0.490 1.00 0.00 C ATOM 0 H THR A 20 -12.882 -11.178 1.188 1.00 0.00 H new ATOM 0 HA THR A 20 -12.275 -9.060 -0.744 1.00 0.00 H new ATOM 0 HB THR A 20 -13.668 -7.861 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.375 -9.376 1.822 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.653 -8.074 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.186 -7.713 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.841 -9.367 -1.076 1.00 0.00 H new ATOM 290 N ALA A 21 -11.427 -9.013 2.469 1.00 0.00 N ATOM 291 CA ALA A 21 -10.450 -8.488 3.414 1.00 0.00 C ATOM 292 C ALA A 21 -10.523 -9.226 4.747 1.00 0.00 C ATOM 293 O ALA A 21 -11.526 -9.870 5.058 1.00 0.00 O ATOM 294 CB ALA A 21 -10.667 -6.995 3.622 1.00 0.00 C ATOM 0 H ALA A 21 -12.134 -9.619 2.885 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.456 -8.645 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.930 -6.615 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.557 -6.475 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.669 -6.824 4.015 1.00 0.00 H new ATOM 300 N THR A 22 -9.454 -9.132 5.531 1.00 0.00 N ATOM 301 CA THR A 22 -9.396 -9.792 6.828 1.00 0.00 C ATOM 302 C THR A 22 -8.852 -8.854 7.899 1.00 0.00 C ATOM 303 O THR A 22 -9.483 -8.648 8.935 1.00 0.00 O ATOM 304 CB THR A 22 -8.517 -11.056 6.776 1.00 0.00 C ATOM 305 OG1 THR A 22 -7.548 -10.937 5.728 1.00 0.00 O ATOM 306 CG2 THR A 22 -9.368 -12.297 6.549 1.00 0.00 C ATOM 0 H THR A 22 -8.615 -8.604 5.289 1.00 0.00 H new ATOM 0 HA THR A 22 -10.417 -10.077 7.083 1.00 0.00 H new ATOM 0 HB THR A 22 -8.005 -11.156 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.992 -11.744 5.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.726 -13.177 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.084 -12.401 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.904 -12.203 5.604 1.00 0.00 H new ATOM 314 N SER A 23 -7.678 -8.286 7.642 1.00 0.00 N ATOM 315 CA SER A 23 -7.048 -7.370 8.587 1.00 0.00 C ATOM 316 C SER A 23 -6.167 -6.359 7.858 1.00 0.00 C ATOM 317 O SER A 23 -6.157 -6.300 6.629 1.00 0.00 O ATOM 318 CB SER A 23 -6.214 -8.150 9.605 1.00 0.00 C ATOM 319 OG SER A 23 -5.173 -8.871 8.967 1.00 0.00 O ATOM 0 H SER A 23 -7.144 -8.444 6.788 1.00 0.00 H new ATOM 0 HA SER A 23 -7.835 -6.828 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.789 -7.462 10.335 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.856 -8.840 10.153 1.00 0.00 H new ATOM 0 HG SER A 23 -4.654 -9.360 9.639 1.00 0.00 H new ATOM 325 N ASN A 24 -5.429 -5.565 8.626 1.00 0.00 N ATOM 326 CA ASN A 24 -4.546 -4.555 8.055 1.00 0.00 C ATOM 327 C ASN A 24 -3.634 -5.167 6.995 1.00 0.00 C ATOM 328 O ASN A 24 -2.985 -6.186 7.234 1.00 0.00 O ATOM 329 CB ASN A 24 -3.703 -3.904 9.154 1.00 0.00 C ATOM 330 CG ASN A 24 -4.533 -3.514 10.363 1.00 0.00 C ATOM 331 OD1 ASN A 24 -5.614 -2.939 10.228 1.00 0.00 O ATOM 332 ND2 ASN A 24 -4.030 -3.823 11.552 1.00 0.00 N ATOM 0 H ASN A 24 -5.425 -5.601 9.645 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.165 -3.793 7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.918 -4.594 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.210 -3.018 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.543 -3.584 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.131 -4.300 11.617 1.00 0.00 H new ATOM 339 N TYR A 25 -3.590 -4.538 5.826 1.00 0.00 N ATOM 340 CA TYR A 25 -2.759 -5.021 4.730 1.00 0.00 C ATOM 341 C TYR A 25 -1.457 -4.232 4.644 1.00 0.00 C ATOM 342 O TYR A 25 -0.448 -4.729 4.145 1.00 0.00 O ATOM 343 CB TYR A 25 -3.518 -4.920 3.404 1.00 0.00 C ATOM 344 CG TYR A 25 -3.919 -6.262 2.833 1.00 0.00 C ATOM 345 CD1 TYR A 25 -4.999 -6.966 3.353 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.219 -6.824 1.774 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.368 -8.191 2.834 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.581 -8.049 1.248 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.657 -8.729 1.781 1.00 0.00 C ATOM 350 OH TYR A 25 -5.020 -9.949 1.260 1.00 0.00 O ATOM 0 H TYR A 25 -4.120 -3.693 5.613 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.517 -6.066 4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.413 -4.315 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.896 -4.397 2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.559 -6.548 4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.377 -6.294 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.209 -8.726 3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.025 -8.472 0.424 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.417 -10.183 0.523 1.00 0.00 H new ATOM 360 N ILE A 26 -1.488 -2.997 5.136 1.00 0.00 N ATOM 361 CA ILE A 26 -0.310 -2.138 5.117 1.00 0.00 C ATOM 362 C ILE A 26 -0.329 -1.155 6.282 1.00 0.00 C ATOM 363 O ILE A 26 -1.271 -0.376 6.438 1.00 0.00 O ATOM 364 CB ILE A 26 -0.209 -1.353 3.797 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.576 -0.787 3.408 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.338 -2.242 2.691 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.509 0.263 2.320 1.00 0.00 C ATOM 0 H ILE A 26 -2.315 -2.570 5.552 1.00 0.00 H new ATOM 0 HA ILE A 26 0.559 -2.789 5.210 1.00 0.00 H new ATOM 0 HB ILE A 26 0.480 -0.520 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.217 -1.603 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.045 -0.354 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.403 -1.672 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.330 -2.599 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.327 -3.094 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.514 0.619 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.895 1.098 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.069 -0.171 1.422 1.00 0.00 H new ATOM 379 N HIS A 27 0.718 -1.194 7.099 1.00 0.00 N ATOM 380 CA HIS A 27 0.825 -0.303 8.249 1.00 0.00 C ATOM 381 C HIS A 27 1.568 0.978 7.880 1.00 0.00 C ATOM 382 O HIS A 27 2.519 0.951 7.099 1.00 0.00 O ATOM 383 CB HIS A 27 1.542 -1.008 9.401 1.00 0.00 C ATOM 384 CG HIS A 27 0.613 -1.684 10.362 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.586 -1.398 11.710 1.00 0.00 N ATOM 386 CD2 HIS A 27 -0.327 -2.637 10.161 1.00 0.00 C ATOM 387 CE1 HIS A 27 -0.330 -2.147 12.298 1.00 0.00 C ATOM 388 NE2 HIS A 27 -0.898 -2.907 11.380 1.00 0.00 N ATOM 0 H HIS A 27 1.505 -1.833 6.986 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.184 -0.037 8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.229 -1.748 8.991 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.145 -0.279 9.943 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.180 -0.715 12.180 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.580 -3.099 9.218 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.573 -2.139 13.350 1.00 0.00 H new ATOM 396 N ILE A 28 1.125 2.096 8.444 1.00 0.00 N ATOM 397 CA ILE A 28 1.747 3.386 8.172 1.00 0.00 C ATOM 398 C ILE A 28 1.738 4.272 9.413 1.00 0.00 C ATOM 399 O ILE A 28 0.682 4.713 9.865 1.00 0.00 O ATOM 400 CB ILE A 28 1.037 4.124 7.023 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.487 3.120 6.006 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.991 5.099 6.349 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.164 3.772 4.806 1.00 0.00 C ATOM 0 H ILE A 28 0.338 2.135 9.092 1.00 0.00 H new ATOM 0 HA ILE A 28 2.777 3.184 7.879 1.00 0.00 H new ATOM 0 HB ILE A 28 0.202 4.690 7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.299 2.478 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.241 2.477 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.474 5.613 5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.339 5.830 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.844 4.553 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.531 3.002 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.998 4.392 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.567 4.393 4.288 1.00 0.00 H new ATOM 415 N ARG A 29 2.923 4.532 9.957 1.00 0.00 N ATOM 416 CA ARG A 29 3.051 5.367 11.145 1.00 0.00 C ATOM 417 C ARG A 29 3.896 6.603 10.851 1.00 0.00 C ATOM 418 O ARG A 29 5.124 6.557 10.919 1.00 0.00 O ATOM 419 CB ARG A 29 3.677 4.568 12.291 1.00 0.00 C ATOM 420 CG ARG A 29 4.053 5.420 13.492 1.00 0.00 C ATOM 421 CD ARG A 29 3.975 4.623 14.785 1.00 0.00 C ATOM 422 NE ARG A 29 4.659 3.336 14.678 1.00 0.00 N ATOM 423 CZ ARG A 29 4.453 2.322 15.509 1.00 0.00 C ATOM 424 NH1 ARG A 29 3.586 2.443 16.505 1.00 0.00 N ATOM 425 NH2 ARG A 29 5.114 1.183 15.346 1.00 0.00 N ATOM 0 H ARG A 29 3.807 4.176 9.594 1.00 0.00 H new ATOM 0 HA ARG A 29 2.053 5.692 11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.977 3.795 12.609 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.568 4.059 11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.063 5.808 13.363 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.386 6.280 13.553 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.418 5.202 15.595 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.930 4.457 15.046 1.00 0.00 H new ATOM 0 HE ARG A 29 5.332 3.210 13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.076 3.317 16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.429 1.662 17.142 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.782 1.086 14.581 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.954 0.405 15.986 1.00 0.00 H new ATOM 439 N ILE A 30 3.229 7.705 10.527 1.00 0.00 N ATOM 440 CA ILE A 30 3.919 8.953 10.225 1.00 0.00 C ATOM 441 C ILE A 30 4.128 9.785 11.486 1.00 0.00 C ATOM 442 O ILE A 30 3.300 9.771 12.395 1.00 0.00 O ATOM 443 CB ILE A 30 3.139 9.792 9.195 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.941 11.033 8.803 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.779 10.187 9.753 1.00 0.00 C ATOM 446 CD1 ILE A 30 3.400 11.743 7.581 1.00 0.00 C ATOM 0 H ILE A 30 2.212 7.759 10.467 1.00 0.00 H new ATOM 0 HA ILE A 30 4.888 8.684 9.805 1.00 0.00 H new ATOM 0 HB ILE A 30 2.981 9.188 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.951 11.729 9.642 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.975 10.743 8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.240 10.779 9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.206 9.289 9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.915 10.776 10.660 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.019 12.613 7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.415 11.063 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.376 12.064 7.771 1.00 0.00 H new ATOM 458 N GLN A 31 5.241 10.509 11.531 1.00 0.00 N ATOM 459 CA GLN A 31 5.560 11.349 12.681 1.00 0.00 C ATOM 460 C GLN A 31 4.722 12.624 12.673 1.00 0.00 C ATOM 461 O GLN A 31 4.037 12.919 11.695 1.00 0.00 O ATOM 462 CB GLN A 31 7.048 11.702 12.686 1.00 0.00 C ATOM 463 CG GLN A 31 7.500 12.448 11.438 1.00 0.00 C ATOM 464 CD GLN A 31 7.773 13.915 11.704 1.00 0.00 C ATOM 465 OE1 GLN A 31 7.211 14.791 11.049 1.00 0.00 O ATOM 466 NE2 GLN A 31 8.644 14.189 12.668 1.00 0.00 N ATOM 0 H GLN A 31 5.937 10.532 10.786 1.00 0.00 H new ATOM 0 HA GLN A 31 5.325 10.787 13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.266 12.312 13.563 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.630 10.786 12.783 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.403 11.979 11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.734 12.358 10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.087 13.430 13.186 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.870 15.158 12.890 1.00 0.00 H new ATOM 475 N GLN A 32 4.784 13.372 13.769 1.00 0.00 N ATOM 476 CA GLN A 32 4.029 14.615 13.888 1.00 0.00 C ATOM 477 C GLN A 32 4.737 15.753 13.163 1.00 0.00 C ATOM 478 O GLN A 32 5.958 15.891 13.245 1.00 0.00 O ATOM 479 CB GLN A 32 3.831 14.977 15.361 1.00 0.00 C ATOM 480 CG GLN A 32 5.119 15.359 16.071 1.00 0.00 C ATOM 481 CD GLN A 32 5.063 15.096 17.563 1.00 0.00 C ATOM 482 OE1 GLN A 32 4.246 15.675 18.278 1.00 0.00 O ATOM 483 NE2 GLN A 32 5.935 14.215 18.042 1.00 0.00 N ATOM 0 H GLN A 32 5.348 13.140 14.587 1.00 0.00 H new ATOM 0 HA GLN A 32 3.054 14.464 13.424 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.127 15.806 15.431 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.379 14.130 15.877 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.948 14.799 15.638 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.324 16.416 15.900 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.595 13.758 17.413 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.944 13.996 19.038 1.00 0.00 H new ATOM 492 N ARG A 33 3.964 16.566 12.450 1.00 0.00 N ATOM 493 CA ARG A 33 4.518 17.692 11.708 1.00 0.00 C ATOM 494 C ARG A 33 4.885 18.836 12.650 1.00 0.00 C ATOM 495 O ARG A 33 4.027 19.379 13.346 1.00 0.00 O ATOM 496 CB ARG A 33 3.519 18.181 10.659 1.00 0.00 C ATOM 497 CG ARG A 33 4.050 18.120 9.236 1.00 0.00 C ATOM 498 CD ARG A 33 2.975 18.485 8.224 1.00 0.00 C ATOM 499 NE ARG A 33 3.156 17.782 6.957 1.00 0.00 N ATOM 500 CZ ARG A 33 4.149 18.034 6.112 1.00 0.00 C ATOM 501 NH1 ARG A 33 5.046 18.968 6.398 1.00 0.00 N ATOM 502 NH2 ARG A 33 4.246 17.351 4.978 1.00 0.00 N ATOM 0 H ARG A 33 2.952 16.466 12.371 1.00 0.00 H new ATOM 0 HA ARG A 33 5.424 17.353 11.206 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.612 17.580 10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.238 19.209 10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.895 18.801 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.422 17.117 9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.994 18.246 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.993 19.561 8.048 1.00 0.00 H new ATOM 0 HE ARG A 33 2.483 17.058 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.974 19.495 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.808 19.160 5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.558 16.632 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.009 17.545 4.329 1.00 0.00 H new ATOM 516 N ASN A 34 6.164 19.197 12.666 1.00 0.00 N ATOM 517 CA ASN A 34 6.643 20.276 13.521 1.00 0.00 C ATOM 518 C ASN A 34 7.321 21.364 12.696 1.00 0.00 C ATOM 519 O ASN A 34 6.928 22.528 12.743 1.00 0.00 O ATOM 520 CB ASN A 34 7.619 19.729 14.567 1.00 0.00 C ATOM 521 CG ASN A 34 7.679 20.597 15.810 1.00 0.00 C ATOM 522 OD1 ASN A 34 7.813 21.817 15.723 1.00 0.00 O ATOM 523 ND2 ASN A 34 7.579 19.966 16.975 1.00 0.00 N ATOM 0 H ASN A 34 6.887 18.758 12.096 1.00 0.00 H new ATOM 0 HA ASN A 34 5.783 20.714 14.029 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.320 18.719 14.846 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.614 19.657 14.129 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.612 20.495 17.846 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.469 18.952 16.998 1.00 0.00 H new ATOM 530 N GLY A 35 8.344 20.976 11.941 1.00 0.00 N ATOM 531 CA GLY A 35 9.062 21.932 11.116 1.00 0.00 C ATOM 532 C GLY A 35 9.268 21.432 9.699 1.00 0.00 C ATOM 533 O GLY A 35 8.317 21.334 8.924 1.00 0.00 O ATOM 0 H GLY A 35 8.689 20.018 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.511 22.872 11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.031 22.143 11.569 1.00 0.00 H new ATOM 537 N ARG A 36 10.515 21.120 9.360 1.00 0.00 N ATOM 538 CA ARG A 36 10.843 20.632 8.025 1.00 0.00 C ATOM 539 C ARG A 36 11.055 19.121 8.036 1.00 0.00 C ATOM 540 O ARG A 36 10.828 18.444 7.033 1.00 0.00 O ATOM 541 CB ARG A 36 12.099 21.330 7.499 1.00 0.00 C ATOM 542 CG ARG A 36 13.296 21.212 8.428 1.00 0.00 C ATOM 543 CD ARG A 36 13.701 22.565 8.989 1.00 0.00 C ATOM 544 NE ARG A 36 14.823 23.148 8.258 1.00 0.00 N ATOM 545 CZ ARG A 36 15.528 24.185 8.698 1.00 0.00 C ATOM 546 NH1 ARG A 36 15.229 24.748 9.861 1.00 0.00 N ATOM 547 NH2 ARG A 36 16.534 24.659 7.975 1.00 0.00 N ATOM 0 H ARG A 36 11.314 21.196 9.990 1.00 0.00 H new ATOM 0 HA ARG A 36 10.005 20.859 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.360 20.907 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.878 22.385 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.057 20.534 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.136 20.775 7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.849 23.244 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.971 22.456 10.039 1.00 0.00 H new ATOM 0 HE ARG A 36 15.080 22.737 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.457 24.385 10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.771 25.544 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.767 24.228 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.075 25.455 8.313 1.00 0.00 H new ATOM 561 N LYS A 37 11.492 18.598 9.176 1.00 0.00 N ATOM 562 CA LYS A 37 11.734 17.168 9.319 1.00 0.00 C ATOM 563 C LYS A 37 10.484 16.367 8.971 1.00 0.00 C ATOM 564 O LYS A 37 9.395 16.647 9.472 1.00 0.00 O ATOM 565 CB LYS A 37 12.178 16.845 10.748 1.00 0.00 C ATOM 566 CG LYS A 37 13.560 16.221 10.830 1.00 0.00 C ATOM 567 CD LYS A 37 13.724 15.391 12.093 1.00 0.00 C ATOM 568 CE LYS A 37 15.053 15.676 12.778 1.00 0.00 C ATOM 569 NZ LYS A 37 15.003 15.367 14.234 1.00 0.00 N ATOM 0 H LYS A 37 11.686 19.144 10.015 1.00 0.00 H new ATOM 0 HA LYS A 37 12.528 16.889 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.167 17.761 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.455 16.166 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.728 15.592 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.316 17.006 10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.906 15.606 12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.661 14.332 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.838 15.084 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.317 16.724 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.927 15.574 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.271 15.950 14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.777 14.361 14.368 1.00 0.00 H new ATOM 583 N THR A 38 10.648 15.367 8.110 1.00 0.00 N ATOM 584 CA THR A 38 9.534 14.525 7.695 1.00 0.00 C ATOM 585 C THR A 38 9.949 13.060 7.620 1.00 0.00 C ATOM 586 O THR A 38 10.792 12.684 6.805 1.00 0.00 O ATOM 587 CB THR A 38 8.981 14.960 6.324 1.00 0.00 C ATOM 588 OG1 THR A 38 9.477 16.260 5.986 1.00 0.00 O ATOM 589 CG2 THR A 38 7.459 14.982 6.337 1.00 0.00 C ATOM 0 H THR A 38 11.543 15.121 7.687 1.00 0.00 H new ATOM 0 HA THR A 38 8.754 14.641 8.447 1.00 0.00 H new ATOM 0 HB THR A 38 9.313 14.238 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.122 16.529 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.091 15.292 5.359 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.083 13.985 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.112 15.685 7.094 1.00 0.00 H new ATOM 597 N LEU A 39 9.350 12.236 8.474 1.00 0.00 N ATOM 598 CA LEU A 39 9.657 10.811 8.504 1.00 0.00 C ATOM 599 C LEU A 39 8.379 9.978 8.539 1.00 0.00 C ATOM 600 O LEU A 39 7.418 10.326 9.226 1.00 0.00 O ATOM 601 CB LEU A 39 10.527 10.483 9.719 1.00 0.00 C ATOM 602 CG LEU A 39 11.768 11.354 9.912 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.496 10.970 11.191 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.696 11.233 8.712 1.00 0.00 C ATOM 0 H LEU A 39 8.649 12.531 9.154 1.00 0.00 H new ATOM 0 HA LEU A 39 10.204 10.563 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.910 10.562 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.846 9.444 9.642 1.00 0.00 H new ATOM 0 HG LEU A 39 11.449 12.393 9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.377 11.601 11.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.831 11.108 12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.803 9.925 11.136 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.574 11.860 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.007 10.195 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.172 11.558 7.813 1.00 0.00 H new ATOM 616 N THR A 40 8.375 8.878 7.794 1.00 0.00 N ATOM 617 CA THR A 40 7.217 7.996 7.741 1.00 0.00 C ATOM 618 C THR A 40 7.642 6.533 7.681 1.00 0.00 C ATOM 619 O THR A 40 8.465 6.147 6.851 1.00 0.00 O ATOM 620 CB THR A 40 6.328 8.310 6.522 1.00 0.00 C ATOM 621 OG1 THR A 40 5.853 9.659 6.596 1.00 0.00 O ATOM 622 CG2 THR A 40 5.145 7.355 6.454 1.00 0.00 C ATOM 0 H THR A 40 9.161 8.577 7.219 1.00 0.00 H new ATOM 0 HA THR A 40 6.646 8.169 8.653 1.00 0.00 H new ATOM 0 HB THR A 40 6.929 8.185 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.290 9.851 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.532 7.596 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.509 6.331 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.546 7.453 7.359 1.00 0.00 H new ATOM 630 N THR A 41 7.074 5.720 8.568 1.00 0.00 N ATOM 631 CA THR A 41 7.395 4.300 8.616 1.00 0.00 C ATOM 632 C THR A 41 6.303 3.466 7.954 1.00 0.00 C ATOM 633 O THR A 41 5.145 3.881 7.887 1.00 0.00 O ATOM 634 CB THR A 41 7.585 3.817 10.066 1.00 0.00 C ATOM 635 OG1 THR A 41 6.606 4.422 10.917 1.00 0.00 O ATOM 636 CG2 THR A 41 8.980 4.154 10.571 1.00 0.00 C ATOM 0 H THR A 41 6.390 6.022 9.262 1.00 0.00 H new ATOM 0 HA THR A 41 8.330 4.168 8.071 1.00 0.00 H new ATOM 0 HB THR A 41 7.461 2.734 10.083 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.733 4.108 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.090 3.803 11.597 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.723 3.667 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.128 5.233 10.539 1.00 0.00 H new ATOM 644 N VAL A 42 6.678 2.288 7.466 1.00 0.00 N ATOM 645 CA VAL A 42 5.731 1.397 6.810 1.00 0.00 C ATOM 646 C VAL A 42 6.061 -0.064 7.098 1.00 0.00 C ATOM 647 O VAL A 42 7.223 -0.420 7.292 1.00 0.00 O ATOM 648 CB VAL A 42 5.715 1.617 5.284 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.594 0.812 4.641 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.572 3.097 4.962 1.00 0.00 C ATOM 0 H VAL A 42 7.632 1.929 7.513 1.00 0.00 H new ATOM 0 HA VAL A 42 4.746 1.631 7.213 1.00 0.00 H new ATOM 0 HB VAL A 42 6.663 1.269 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.598 0.979 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.745 -0.248 4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.636 1.128 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.562 3.235 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.640 3.473 5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.411 3.645 5.390 1.00 0.00 H new ATOM 660 N GLN A 43 5.032 -0.905 7.122 1.00 0.00 N ATOM 661 CA GLN A 43 5.213 -2.328 7.385 1.00 0.00 C ATOM 662 C GLN A 43 4.213 -3.161 6.591 1.00 0.00 C ATOM 663 O GLN A 43 3.230 -2.638 6.070 1.00 0.00 O ATOM 664 CB GLN A 43 5.061 -2.614 8.880 1.00 0.00 C ATOM 665 CG GLN A 43 5.638 -3.954 9.304 1.00 0.00 C ATOM 666 CD GLN A 43 4.581 -5.034 9.422 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.664 -6.074 8.768 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.578 -4.793 10.257 1.00 0.00 N ATOM 0 H GLN A 43 4.064 -0.626 6.962 1.00 0.00 H new ATOM 0 HA GLN A 43 6.219 -2.605 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.552 -1.821 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.003 -2.584 9.142 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.391 -4.266 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.144 -3.840 10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.549 -3.917 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.837 -5.483 10.376 1.00 0.00 H new ATOM 677 N GLY A 44 4.472 -4.462 6.503 1.00 0.00 N ATOM 678 CA GLY A 44 3.586 -5.346 5.770 1.00 0.00 C ATOM 679 C GLY A 44 4.157 -5.760 4.428 1.00 0.00 C ATOM 680 O GLY A 44 3.463 -6.360 3.607 1.00 0.00 O ATOM 0 H GLY A 44 5.280 -4.919 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.390 -6.236 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.628 -4.849 5.616 1.00 0.00 H new ATOM 684 N VAL A 45 5.428 -5.436 4.202 1.00 0.00 N ATOM 685 CA VAL A 45 6.092 -5.776 2.951 1.00 0.00 C ATOM 686 C VAL A 45 6.198 -7.287 2.778 1.00 0.00 C ATOM 687 O VAL A 45 6.585 -8.016 3.691 1.00 0.00 O ATOM 688 CB VAL A 45 7.502 -5.162 2.880 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.167 -5.503 1.554 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.439 -3.656 3.083 1.00 0.00 C ATOM 0 H VAL A 45 6.017 -4.939 4.870 1.00 0.00 H new ATOM 0 HA VAL A 45 5.483 -5.363 2.147 1.00 0.00 H new ATOM 0 HB VAL A 45 8.105 -5.588 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.163 -5.061 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.248 -6.586 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.568 -5.107 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.445 -3.239 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.819 -3.210 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.007 -3.438 4.060 1.00 0.00 H new ATOM 700 N PRO A 46 5.845 -7.772 1.578 1.00 0.00 N ATOM 701 CA PRO A 46 5.893 -9.200 1.257 1.00 0.00 C ATOM 702 C PRO A 46 7.322 -9.726 1.157 1.00 0.00 C ATOM 703 O PRO A 46 8.281 -8.972 1.317 1.00 0.00 O ATOM 704 CB PRO A 46 5.200 -9.280 -0.106 1.00 0.00 C ATOM 705 CG PRO A 46 5.387 -7.931 -0.707 1.00 0.00 C ATOM 706 CD PRO A 46 5.374 -6.961 0.442 1.00 0.00 C ATOM 0 HA PRO A 46 5.420 -9.806 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.643 -10.056 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.143 -9.522 0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.328 -7.875 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.591 -7.706 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.029 -6.110 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.375 -6.562 0.620 1.00 0.00 H new ATOM 714 N GLU A 47 7.454 -11.021 0.893 1.00 0.00 N ATOM 715 CA GLU A 47 8.767 -11.645 0.775 1.00 0.00 C ATOM 716 C GLU A 47 9.418 -11.294 -0.560 1.00 0.00 C ATOM 717 O GLU A 47 10.641 -11.205 -0.661 1.00 0.00 O ATOM 718 CB GLU A 47 8.648 -13.166 0.911 1.00 0.00 C ATOM 719 CG GLU A 47 9.875 -13.819 1.527 1.00 0.00 C ATOM 720 CD GLU A 47 9.858 -13.778 3.042 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.909 -14.328 3.641 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.794 -13.198 3.630 1.00 0.00 O ATOM 0 H GLU A 47 6.669 -11.658 0.757 1.00 0.00 H new ATOM 0 HA GLU A 47 9.396 -11.263 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.776 -13.401 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.473 -13.598 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.935 -14.856 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.771 -13.316 1.164 1.00 0.00 H new ATOM 729 N GLU A 48 8.590 -11.096 -1.582 1.00 0.00 N ATOM 730 CA GLU A 48 9.085 -10.755 -2.910 1.00 0.00 C ATOM 731 C GLU A 48 9.877 -9.450 -2.878 1.00 0.00 C ATOM 732 O GLU A 48 10.649 -9.157 -3.792 1.00 0.00 O ATOM 733 CB GLU A 48 7.922 -10.632 -3.897 1.00 0.00 C ATOM 734 CG GLU A 48 7.883 -11.746 -4.931 1.00 0.00 C ATOM 735 CD GLU A 48 8.187 -11.251 -6.331 1.00 0.00 C ATOM 736 OE1 GLU A 48 9.366 -10.942 -6.608 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.248 -11.170 -7.151 1.00 0.00 O ATOM 0 H GLU A 48 7.575 -11.166 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 48 9.748 -11.556 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.984 -10.629 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.992 -9.673 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.604 -12.516 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.898 -12.213 -4.920 1.00 0.00 H new ATOM 744 N TYR A 49 9.680 -8.672 -1.819 1.00 0.00 N ATOM 745 CA TYR A 49 10.374 -7.399 -1.668 1.00 0.00 C ATOM 746 C TYR A 49 11.068 -7.312 -0.312 1.00 0.00 C ATOM 747 O TYR A 49 10.422 -7.107 0.716 1.00 0.00 O ATOM 748 CB TYR A 49 9.390 -6.238 -1.825 1.00 0.00 C ATOM 749 CG TYR A 49 9.960 -5.060 -2.583 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.520 -5.225 -3.843 1.00 0.00 C ATOM 751 CD2 TYR A 49 9.933 -3.781 -2.040 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.042 -4.152 -4.540 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.452 -2.702 -2.730 1.00 0.00 C ATOM 754 CZ TYR A 49 11.006 -2.892 -3.978 1.00 0.00 C ATOM 755 OH TYR A 49 11.522 -1.820 -4.669 1.00 0.00 O ATOM 0 H TYR A 49 9.046 -8.901 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 49 11.133 -7.333 -2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.499 -6.595 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.073 -5.905 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.548 -6.210 -4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.499 -3.628 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.475 -4.298 -5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.424 -1.715 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 49 11.212 -0.986 -4.258 1.00 0.00 H new ATOM 765 N ASP A 50 12.386 -7.471 -0.319 1.00 0.00 N ATOM 766 CA ASP A 50 13.169 -7.411 0.910 1.00 0.00 C ATOM 767 C ASP A 50 13.546 -5.970 1.243 1.00 0.00 C ATOM 768 O ASP A 50 13.208 -5.042 0.508 1.00 0.00 O ATOM 769 CB ASP A 50 14.432 -8.263 0.776 1.00 0.00 C ATOM 770 CG ASP A 50 14.545 -9.306 1.869 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.505 -8.927 3.059 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.671 -10.503 1.536 1.00 0.00 O ATOM 0 H ASP A 50 12.935 -7.642 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 50 12.558 -7.805 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.432 -8.757 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.308 -7.615 0.804 1.00 0.00 H new ATOM 777 N LEU A 51 14.246 -5.790 2.357 1.00 0.00 N ATOM 778 CA LEU A 51 14.667 -4.463 2.791 1.00 0.00 C ATOM 779 C LEU A 51 15.763 -3.915 1.880 1.00 0.00 C ATOM 780 O LEU A 51 15.933 -2.702 1.757 1.00 0.00 O ATOM 781 CB LEU A 51 15.166 -4.511 4.235 1.00 0.00 C ATOM 782 CG LEU A 51 14.169 -4.066 5.306 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.799 -2.604 5.116 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.924 -4.941 5.269 1.00 0.00 C ATOM 0 H LEU A 51 14.534 -6.547 2.977 1.00 0.00 H new ATOM 0 HA LEU A 51 13.805 -3.798 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.475 -5.532 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.055 -3.885 4.312 1.00 0.00 H new ATOM 0 HG LEU A 51 14.640 -4.176 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.089 -2.305 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.696 -1.989 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.347 -2.468 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.225 -4.611 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.452 -4.861 4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.203 -5.978 5.453 1.00 0.00 H new ATOM 796 N LYS A 52 16.500 -4.818 1.242 1.00 0.00 N ATOM 797 CA LYS A 52 17.576 -4.426 0.339 1.00 0.00 C ATOM 798 C LYS A 52 17.024 -4.020 -1.022 1.00 0.00 C ATOM 799 O LYS A 52 17.564 -3.129 -1.680 1.00 0.00 O ATOM 800 CB LYS A 52 18.574 -5.575 0.174 1.00 0.00 C ATOM 801 CG LYS A 52 19.817 -5.193 -0.610 1.00 0.00 C ATOM 802 CD LYS A 52 20.720 -4.270 0.191 1.00 0.00 C ATOM 803 CE LYS A 52 22.047 -4.037 -0.517 1.00 0.00 C ATOM 804 NZ LYS A 52 22.153 -2.651 -1.053 1.00 0.00 N ATOM 0 H LYS A 52 16.372 -5.826 1.333 1.00 0.00 H new ATOM 0 HA LYS A 52 18.087 -3.567 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.872 -5.931 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.079 -6.406 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.367 -6.094 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.526 -4.703 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.218 -3.315 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.902 -4.701 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.867 -4.222 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.154 -4.751 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.071 -2.532 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.386 -2.483 -1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.077 -1.970 -0.271 1.00 0.00 H new ATOM 818 N ARG A 53 15.945 -4.674 -1.437 1.00 0.00 N ATOM 819 CA ARG A 53 15.320 -4.380 -2.721 1.00 0.00 C ATOM 820 C ARG A 53 14.547 -3.064 -2.661 1.00 0.00 C ATOM 821 O ARG A 53 14.498 -2.317 -3.639 1.00 0.00 O ATOM 822 CB ARG A 53 14.380 -5.517 -3.127 1.00 0.00 C ATOM 823 CG ARG A 53 14.045 -5.529 -4.610 1.00 0.00 C ATOM 824 CD ARG A 53 15.037 -6.371 -5.398 1.00 0.00 C ATOM 825 NE ARG A 53 14.482 -6.824 -6.671 1.00 0.00 N ATOM 826 CZ ARG A 53 15.204 -7.404 -7.622 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.504 -7.600 -7.446 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.627 -7.788 -8.754 1.00 0.00 N ATOM 0 H ARG A 53 15.485 -5.411 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 53 16.109 -4.285 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.838 -6.469 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.456 -5.435 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.038 -5.921 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.047 -4.509 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.940 -5.789 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.332 -7.235 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 53 13.485 -6.687 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.951 -7.305 -6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.056 -8.046 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.628 -7.637 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.183 -8.234 -9.484 1.00 0.00 H new ATOM 842 N ILE A 54 13.947 -2.790 -1.507 1.00 0.00 N ATOM 843 CA ILE A 54 13.178 -1.565 -1.320 1.00 0.00 C ATOM 844 C ILE A 54 14.095 -0.378 -1.037 1.00 0.00 C ATOM 845 O ILE A 54 13.804 0.752 -1.430 1.00 0.00 O ATOM 846 CB ILE A 54 12.169 -1.705 -0.167 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.296 -0.451 -0.068 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.895 -1.957 1.146 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.884 -0.733 0.392 1.00 0.00 C ATOM 0 H ILE A 54 13.978 -3.398 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 54 12.635 -1.389 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 54 11.523 -2.559 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.761 0.252 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.262 0.036 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.167 -2.054 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.476 -2.876 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.563 -1.122 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.323 0.201 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.401 -1.411 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.908 -1.192 1.380 1.00 0.00 H new ATOM 861 N LEU A 55 15.203 -0.645 -0.356 1.00 0.00 N ATOM 862 CA LEU A 55 16.165 0.400 -0.022 1.00 0.00 C ATOM 863 C LEU A 55 17.002 0.779 -1.239 1.00 0.00 C ATOM 864 O LEU A 55 17.448 1.919 -1.370 1.00 0.00 O ATOM 865 CB LEU A 55 17.077 -0.063 1.115 1.00 0.00 C ATOM 866 CG LEU A 55 18.351 0.755 1.330 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.009 2.165 1.785 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.260 0.072 2.341 1.00 0.00 C ATOM 0 H LEU A 55 15.458 -1.575 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 55 15.610 1.280 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.503 -0.053 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.361 -1.098 0.927 1.00 0.00 H new ATOM 0 HG LEU A 55 18.882 0.820 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.928 2.732 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.399 2.654 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.455 2.120 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.161 0.669 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.738 -0.025 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.533 -0.918 1.974 1.00 0.00 H new ATOM 880 N LYS A 56 17.211 -0.184 -2.131 1.00 0.00 N ATOM 881 CA LYS A 56 17.992 0.047 -3.340 1.00 0.00 C ATOM 882 C LYS A 56 17.154 0.751 -4.402 1.00 0.00 C ATOM 883 O LYS A 56 17.646 1.620 -5.122 1.00 0.00 O ATOM 884 CB LYS A 56 18.525 -1.278 -3.890 1.00 0.00 C ATOM 885 CG LYS A 56 19.531 -1.108 -5.013 1.00 0.00 C ATOM 886 CD LYS A 56 20.793 -1.915 -4.760 1.00 0.00 C ATOM 887 CE LYS A 56 21.249 -2.648 -6.013 1.00 0.00 C ATOM 888 NZ LYS A 56 22.725 -2.580 -6.190 1.00 0.00 N ATOM 0 H LYS A 56 16.849 -1.133 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 56 18.834 0.690 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.990 -1.838 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.688 -1.875 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.081 -1.421 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.787 -0.054 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.587 -1.252 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.611 -2.635 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.938 -3.691 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.759 -2.216 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.995 -3.091 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.020 -1.586 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.193 -3.015 -5.370 1.00 0.00 H new ATOM 902 N VAL A 57 15.884 0.370 -4.495 1.00 0.00 N ATOM 903 CA VAL A 57 14.975 0.966 -5.467 1.00 0.00 C ATOM 904 C VAL A 57 14.538 2.360 -5.029 1.00 0.00 C ATOM 905 O VAL A 57 14.411 3.269 -5.851 1.00 0.00 O ATOM 906 CB VAL A 57 13.726 0.091 -5.679 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.712 0.809 -6.557 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.110 -1.251 -6.283 1.00 0.00 C ATOM 0 H VAL A 57 15.461 -0.349 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 57 15.522 1.039 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 57 13.265 -0.092 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.837 0.175 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.412 1.742 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.160 1.026 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.214 -1.856 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.597 -1.091 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.795 -1.770 -5.612 1.00 0.00 H new ATOM 918 N LEU A 58 14.310 2.521 -3.732 1.00 0.00 N ATOM 919 CA LEU A 58 13.888 3.805 -3.184 1.00 0.00 C ATOM 920 C LEU A 58 15.028 4.819 -3.231 1.00 0.00 C ATOM 921 O LEU A 58 14.825 5.980 -3.588 1.00 0.00 O ATOM 922 CB LEU A 58 13.403 3.633 -1.744 1.00 0.00 C ATOM 923 CG LEU A 58 12.016 3.014 -1.570 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.728 2.751 -0.101 1.00 0.00 C ATOM 925 CD2 LEU A 58 10.951 3.918 -2.171 1.00 0.00 C ATOM 0 H LEU A 58 14.410 1.779 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 58 13.067 4.180 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.124 3.014 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.405 4.611 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 58 11.996 2.061 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.736 2.310 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.474 2.064 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.767 3.690 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.970 3.462 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.972 4.887 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.147 4.054 -3.235 1.00 0.00 H new ATOM 937 N LYS A 59 16.225 4.372 -2.870 1.00 0.00 N ATOM 938 CA LYS A 59 17.398 5.238 -2.875 1.00 0.00 C ATOM 939 C LYS A 59 17.807 5.594 -4.300 1.00 0.00 C ATOM 940 O LYS A 59 18.276 6.702 -4.565 1.00 0.00 O ATOM 941 CB LYS A 59 18.564 4.557 -2.153 1.00 0.00 C ATOM 942 CG LYS A 59 18.422 4.549 -0.642 1.00 0.00 C ATOM 943 CD LYS A 59 19.272 5.632 0.003 1.00 0.00 C ATOM 944 CE LYS A 59 18.527 6.957 0.077 1.00 0.00 C ATOM 945 NZ LYS A 59 19.380 8.098 -0.349 1.00 0.00 N ATOM 0 H LYS A 59 16.409 3.415 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 59 17.141 6.158 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.649 3.530 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.491 5.064 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.376 4.697 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.716 3.574 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.561 5.320 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.192 5.762 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.640 6.911 -0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.182 7.123 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.948 8.991 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 20.325 8.003 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.465 8.100 -1.386 1.00 0.00 H new ATOM 959 N LYS A 60 17.625 4.648 -5.216 1.00 0.00 N ATOM 960 CA LYS A 60 17.972 4.861 -6.616 1.00 0.00 C ATOM 961 C LYS A 60 16.882 5.652 -7.333 1.00 0.00 C ATOM 962 O LYS A 60 17.153 6.370 -8.296 1.00 0.00 O ATOM 963 CB LYS A 60 18.189 3.520 -7.319 1.00 0.00 C ATOM 964 CG LYS A 60 19.509 2.854 -6.968 1.00 0.00 C ATOM 965 CD LYS A 60 19.579 1.434 -7.503 1.00 0.00 C ATOM 966 CE LYS A 60 19.712 1.416 -9.019 1.00 0.00 C ATOM 967 NZ LYS A 60 20.600 0.313 -9.483 1.00 0.00 N ATOM 0 H LYS A 60 17.239 3.726 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 60 18.897 5.437 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 60 17.372 2.847 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.145 3.673 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 60 20.332 3.439 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.635 2.842 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.428 0.917 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.682 0.888 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.726 1.303 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 60 20.110 2.371 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.666 0.333 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.548 0.435 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.207 -0.601 -9.179 1.00 0.00 H new ATOM 981 N ASP A 61 15.649 5.517 -6.857 1.00 0.00 N ATOM 982 CA ASP A 61 14.520 6.220 -7.450 1.00 0.00 C ATOM 983 C ASP A 61 14.602 7.718 -7.169 1.00 0.00 C ATOM 984 O ASP A 61 14.795 8.521 -8.082 1.00 0.00 O ATOM 985 CB ASP A 61 13.201 5.660 -6.910 1.00 0.00 C ATOM 986 CG ASP A 61 11.994 6.416 -7.433 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.092 7.002 -8.530 1.00 0.00 O ATOM 988 OD2 ASP A 61 10.953 6.419 -6.744 1.00 0.00 O ATOM 0 H ASP A 61 15.407 4.926 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 61 14.557 6.068 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.116 4.609 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.210 5.704 -5.821 1.00 0.00 H new ATOM 993 N PHE A 62 14.457 8.086 -5.901 1.00 0.00 N ATOM 994 CA PHE A 62 14.514 9.487 -5.499 1.00 0.00 C ATOM 995 C PHE A 62 15.263 9.644 -4.180 1.00 0.00 C ATOM 996 O PHE A 62 14.922 10.495 -3.358 1.00 0.00 O ATOM 997 CB PHE A 62 13.101 10.060 -5.369 1.00 0.00 C ATOM 998 CG PHE A 62 12.392 10.210 -6.683 1.00 0.00 C ATOM 999 CD1 PHE A 62 12.939 10.979 -7.697 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.176 9.584 -6.904 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.289 11.119 -8.910 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.519 9.720 -8.114 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.077 10.489 -9.118 1.00 0.00 C ATOM 0 H PHE A 62 14.299 7.433 -5.133 1.00 0.00 H new ATOM 0 HA PHE A 62 15.052 10.039 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.513 9.411 -4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.156 11.033 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.885 11.476 -7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.736 8.983 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.728 11.720 -9.693 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.572 9.226 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.566 10.597 -10.064 1.00 0.00 H new ATOM 1013 N ALA A 63 16.285 8.817 -3.984 1.00 0.00 N ATOM 1014 CA ALA A 63 17.084 8.865 -2.766 1.00 0.00 C ATOM 1015 C ALA A 63 16.197 8.823 -1.526 1.00 0.00 C ATOM 1016 O ALA A 63 16.220 9.742 -0.704 1.00 0.00 O ATOM 1017 CB ALA A 63 17.953 10.113 -2.754 1.00 0.00 C ATOM 0 H ALA A 63 16.579 8.106 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 63 17.729 7.987 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.544 10.136 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.620 10.101 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.319 10.998 -2.798 1.00 0.00 H new ATOM 1023 N CYS A 64 15.416 7.756 -1.397 1.00 0.00 N ATOM 1024 CA CYS A 64 14.521 7.597 -0.257 1.00 0.00 C ATOM 1025 C CYS A 64 15.091 6.600 0.747 1.00 0.00 C ATOM 1026 O CYS A 64 14.893 5.394 0.617 1.00 0.00 O ATOM 1027 CB CYS A 64 13.141 7.134 -0.728 1.00 0.00 C ATOM 1028 SG CYS A 64 11.822 8.336 -0.439 1.00 0.00 S ATOM 0 H CYS A 64 15.385 6.988 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 64 14.423 8.564 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.188 6.912 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.888 6.204 -0.219 1.00 0.00 H new ATOM 0 HG CYS A 64 10.694 7.856 -0.872 1.00 0.00 H new ATOM 1034 N ASN A 65 15.798 7.115 1.747 1.00 0.00 N ATOM 1035 CA ASN A 65 16.397 6.270 2.774 1.00 0.00 C ATOM 1036 C ASN A 65 15.365 5.315 3.365 1.00 0.00 C ATOM 1037 O ASN A 65 14.528 5.714 4.173 1.00 0.00 O ATOM 1038 CB ASN A 65 17.008 7.131 3.882 1.00 0.00 C ATOM 1039 CG ASN A 65 18.456 6.779 4.156 1.00 0.00 C ATOM 1040 OD1 ASN A 65 18.778 5.640 4.497 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.341 7.759 4.009 1.00 0.00 N ATOM 0 H ASN A 65 15.970 8.113 1.868 1.00 0.00 H new ATOM 0 HA ASN A 65 17.185 5.679 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.939 8.182 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.428 7.007 4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.331 7.582 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.031 8.688 3.725 1.00 0.00 H new ATOM 1048 N GLY A 66 15.432 4.052 2.957 1.00 0.00 N ATOM 1049 CA GLY A 66 14.498 3.060 3.457 1.00 0.00 C ATOM 1050 C GLY A 66 15.158 2.053 4.376 1.00 0.00 C ATOM 1051 O GLY A 66 15.424 0.920 3.979 1.00 0.00 O ATOM 0 H GLY A 66 16.116 3.698 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.692 3.562 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.044 2.536 2.616 1.00 0.00 H new ATOM 1055 N ASN A 67 15.426 2.469 5.611 1.00 0.00 N ATOM 1056 CA ASN A 67 16.062 1.595 6.591 1.00 0.00 C ATOM 1057 C ASN A 67 15.027 0.722 7.294 1.00 0.00 C ATOM 1058 O ASN A 67 13.826 0.854 7.058 1.00 0.00 O ATOM 1059 CB ASN A 67 16.831 2.425 7.621 1.00 0.00 C ATOM 1060 CG ASN A 67 17.528 3.619 6.998 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.679 3.529 6.574 1.00 0.00 O ATOM 1062 ND2 ASN A 67 16.828 4.748 6.941 1.00 0.00 N ATOM 0 H ASN A 67 15.213 3.405 5.956 1.00 0.00 H new ATOM 0 HA ASN A 67 16.760 0.945 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.142 2.771 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.570 1.793 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.243 5.586 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.876 4.777 7.305 1.00 0.00 H new ATOM 1069 N ILE A 68 15.502 -0.168 8.158 1.00 0.00 N ATOM 1070 CA ILE A 68 14.619 -1.062 8.897 1.00 0.00 C ATOM 1071 C ILE A 68 14.796 -0.888 10.401 1.00 0.00 C ATOM 1072 O ILE A 68 15.883 -0.562 10.877 1.00 0.00 O ATOM 1073 CB ILE A 68 14.870 -2.535 8.527 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.695 -3.405 8.977 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.168 -3.024 9.154 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.873 -4.873 8.661 1.00 0.00 C ATOM 0 H ILE A 68 16.494 -0.290 8.364 1.00 0.00 H new ATOM 0 HA ILE A 68 13.598 -0.797 8.621 1.00 0.00 H new ATOM 0 HB ILE A 68 14.960 -2.612 7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.557 -3.287 10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.784 -3.047 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.332 -4.067 8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.999 -2.420 8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.104 -2.936 10.239 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.002 -5.428 9.009 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.980 -5.003 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.766 -5.247 9.162 1.00 0.00 H new ATOM 1088 N VAL A 69 13.718 -1.113 11.148 1.00 0.00 N ATOM 1089 CA VAL A 69 13.755 -0.985 12.600 1.00 0.00 C ATOM 1090 C VAL A 69 13.032 -2.147 13.272 1.00 0.00 C ATOM 1091 O VAL A 69 12.314 -2.906 12.621 1.00 0.00 O ATOM 1092 CB VAL A 69 13.118 0.338 13.063 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.721 0.787 14.386 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.289 1.412 11.999 1.00 0.00 C ATOM 0 H VAL A 69 12.810 -1.384 10.771 1.00 0.00 H new ATOM 0 HA VAL A 69 14.805 -0.996 12.892 1.00 0.00 H new ATOM 0 HB VAL A 69 12.051 0.174 13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.259 1.724 14.697 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.543 0.025 15.144 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.794 0.935 14.265 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.833 2.340 12.343 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.351 1.576 11.815 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.806 1.090 11.076 1.00 0.00 H new ATOM 1104 N LYS A 70 13.227 -2.280 14.580 1.00 0.00 N ATOM 1105 CA LYS A 70 12.591 -3.349 15.344 1.00 0.00 C ATOM 1106 C LYS A 70 11.969 -2.805 16.624 1.00 0.00 C ATOM 1107 O LYS A 70 12.676 -2.377 17.537 1.00 0.00 O ATOM 1108 CB LYS A 70 13.612 -4.438 15.680 1.00 0.00 C ATOM 1109 CG LYS A 70 13.110 -5.447 16.698 1.00 0.00 C ATOM 1110 CD LYS A 70 14.175 -6.477 17.034 1.00 0.00 C ATOM 1111 CE LYS A 70 13.582 -7.872 17.159 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.553 -8.838 17.741 1.00 0.00 N ATOM 0 H LYS A 70 13.820 -1.661 15.133 1.00 0.00 H new ATOM 0 HA LYS A 70 11.798 -3.780 14.732 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.886 -4.963 14.765 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.519 -3.969 16.062 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.805 -4.928 17.607 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.226 -5.951 16.307 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.942 -6.475 16.260 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.665 -6.204 17.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.690 -7.833 17.784 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.267 -8.222 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.110 -9.777 17.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.394 -8.895 17.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.835 -8.518 18.690 1.00 0.00 H new ATOM 1126 N ASP A 71 10.643 -2.829 16.690 1.00 0.00 N ATOM 1127 CA ASP A 71 9.924 -2.341 17.861 1.00 0.00 C ATOM 1128 C ASP A 71 9.485 -3.500 18.751 1.00 0.00 C ATOM 1129 O ASP A 71 9.388 -4.647 18.314 1.00 0.00 O ATOM 1130 CB ASP A 71 8.707 -1.519 17.435 1.00 0.00 C ATOM 1131 CG ASP A 71 9.060 -0.078 17.126 1.00 0.00 C ATOM 1132 OD1 ASP A 71 10.175 0.164 16.617 1.00 0.00 O ATOM 1133 OD2 ASP A 71 8.222 0.808 17.393 1.00 0.00 O ATOM 0 H ASP A 71 10.043 -3.182 15.945 1.00 0.00 H new ATOM 0 HA ASP A 71 10.600 -1.704 18.431 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.254 -1.976 16.555 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.959 -1.545 18.228 1.00 0.00 H new ATOM 1138 N PRO A 72 9.215 -3.196 20.029 1.00 0.00 N ATOM 1139 CA PRO A 72 8.783 -4.198 21.007 1.00 0.00 C ATOM 1140 C PRO A 72 7.374 -4.710 20.728 1.00 0.00 C ATOM 1141 O PRO A 72 6.906 -5.646 21.374 1.00 0.00 O ATOM 1142 CB PRO A 72 8.822 -3.439 22.335 1.00 0.00 C ATOM 1143 CG PRO A 72 8.649 -2.008 21.958 1.00 0.00 C ATOM 1144 CD PRO A 72 9.310 -1.850 20.617 1.00 0.00 C ATOM 0 HA PRO A 72 9.417 -5.084 20.989 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.028 -3.771 23.004 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.766 -3.600 22.856 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.593 -1.743 21.906 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.106 -1.351 22.698 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.801 -1.107 20.003 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.346 -1.527 20.715 1.00 0.00 H new ATOM 1152 N GLU A 73 6.704 -4.089 19.762 1.00 0.00 N ATOM 1153 CA GLU A 73 5.347 -4.484 19.400 1.00 0.00 C ATOM 1154 C GLU A 73 5.363 -5.500 18.261 1.00 0.00 C ATOM 1155 O GLU A 73 4.655 -6.506 18.305 1.00 0.00 O ATOM 1156 CB GLU A 73 4.528 -3.257 18.992 1.00 0.00 C ATOM 1157 CG GLU A 73 3.086 -3.578 18.639 1.00 0.00 C ATOM 1158 CD GLU A 73 2.256 -3.945 19.854 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.683 -3.623 20.982 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.181 -4.553 19.677 1.00 0.00 O ATOM 0 H GLU A 73 7.078 -3.312 19.217 1.00 0.00 H new ATOM 0 HA GLU A 73 4.885 -4.948 20.272 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.541 -2.534 19.808 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.005 -2.780 18.136 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.637 -2.717 18.143 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.065 -4.403 17.927 1.00 0.00 H new ATOM 1167 N MET A 74 6.172 -5.229 17.243 1.00 0.00 N ATOM 1168 CA MET A 74 6.280 -6.120 16.094 1.00 0.00 C ATOM 1169 C MET A 74 7.732 -6.520 15.851 1.00 0.00 C ATOM 1170 O MET A 74 8.111 -7.672 16.061 1.00 0.00 O ATOM 1171 CB MET A 74 5.708 -5.447 14.845 1.00 0.00 C ATOM 1172 CG MET A 74 4.636 -6.270 14.149 1.00 0.00 C ATOM 1173 SD MET A 74 5.311 -7.705 13.290 1.00 0.00 S ATOM 1174 CE MET A 74 4.359 -7.670 11.773 1.00 0.00 C ATOM 0 H MET A 74 6.763 -4.399 17.190 1.00 0.00 H new ATOM 0 HA MET A 74 5.705 -7.021 16.308 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.289 -4.480 15.123 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.519 -5.253 14.143 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.904 -6.603 14.885 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.106 -5.640 13.435 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.967 -8.666 11.567 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.531 -6.969 11.879 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.999 -7.354 10.949 1.00 0.00 H new ATOM 1184 N GLY A 75 8.539 -5.562 15.406 1.00 0.00 N ATOM 1185 CA GLY A 75 9.940 -5.836 15.141 1.00 0.00 C ATOM 1186 C GLY A 75 10.243 -5.929 13.660 1.00 0.00 C ATOM 1187 O GLY A 75 11.107 -6.699 13.244 1.00 0.00 O ATOM 0 H GLY A 75 8.248 -4.601 15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.551 -5.050 15.585 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.222 -6.771 15.626 1.00 0.00 H new ATOM 1191 N GLU A 76 9.529 -5.142 12.861 1.00 0.00 N ATOM 1192 CA GLU A 76 9.724 -5.141 11.416 1.00 0.00 C ATOM 1193 C GLU A 76 9.214 -3.843 10.798 1.00 0.00 C ATOM 1194 O GLU A 76 8.611 -3.848 9.725 1.00 0.00 O ATOM 1195 CB GLU A 76 9.008 -6.336 10.781 1.00 0.00 C ATOM 1196 CG GLU A 76 9.842 -7.060 9.738 1.00 0.00 C ATOM 1197 CD GLU A 76 8.993 -7.737 8.679 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.623 -7.061 7.695 1.00 0.00 O ATOM 1199 OE2 GLU A 76 8.698 -8.939 8.835 1.00 0.00 O ATOM 0 H GLU A 76 8.810 -4.497 13.190 1.00 0.00 H new ATOM 0 HA GLU A 76 10.793 -5.221 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.730 -7.041 11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.083 -5.991 10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.515 -6.349 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.465 -7.806 10.231 1.00 0.00 H new ATOM 1206 N ILE A 77 9.461 -2.731 11.484 1.00 0.00 N ATOM 1207 CA ILE A 77 9.027 -1.425 11.003 1.00 0.00 C ATOM 1208 C ILE A 77 10.077 -0.800 10.092 1.00 0.00 C ATOM 1209 O ILE A 77 11.124 -0.346 10.554 1.00 0.00 O ATOM 1210 CB ILE A 77 8.738 -0.463 12.170 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.531 -0.951 12.976 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.498 0.945 11.649 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.873 -2.029 13.982 1.00 0.00 C ATOM 0 H ILE A 77 9.959 -2.709 12.374 1.00 0.00 H new ATOM 0 HA ILE A 77 8.108 -1.585 10.439 1.00 0.00 H new ATOM 0 HB ILE A 77 9.607 -0.443 12.828 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.087 -0.104 13.499 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.776 -1.333 12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.295 1.613 12.486 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.383 1.291 11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.644 0.942 10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.971 -2.327 14.517 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.289 -2.892 13.463 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.605 -1.645 14.692 1.00 0.00 H new ATOM 1225 N ILE A 78 9.788 -0.775 8.795 1.00 0.00 N ATOM 1226 CA ILE A 78 10.706 -0.202 7.819 1.00 0.00 C ATOM 1227 C ILE A 78 10.627 1.321 7.819 1.00 0.00 C ATOM 1228 O ILE A 78 9.644 1.902 7.359 1.00 0.00 O ATOM 1229 CB ILE A 78 10.411 -0.719 6.398 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.497 -2.247 6.360 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.379 -0.103 5.399 1.00 0.00 C ATOM 1232 CD1 ILE A 78 9.192 -2.916 5.993 1.00 0.00 C ATOM 0 H ILE A 78 8.925 -1.145 8.396 1.00 0.00 H new ATOM 0 HA ILE A 78 11.710 -0.512 8.109 1.00 0.00 H new ATOM 0 HB ILE A 78 9.399 -0.424 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.262 -2.542 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.820 -2.609 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.158 -0.478 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.273 0.982 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.400 -0.371 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.327 -3.998 5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.429 -2.651 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.878 -2.583 5.004 1.00 0.00 H new ATOM 1244 N GLN A 79 11.670 1.962 8.337 1.00 0.00 N ATOM 1245 CA GLN A 79 11.720 3.418 8.397 1.00 0.00 C ATOM 1246 C GLN A 79 12.043 4.008 7.027 1.00 0.00 C ATOM 1247 O GLN A 79 13.062 3.673 6.422 1.00 0.00 O ATOM 1248 CB GLN A 79 12.761 3.873 9.419 1.00 0.00 C ATOM 1249 CG GLN A 79 12.909 5.383 9.509 1.00 0.00 C ATOM 1250 CD GLN A 79 14.066 5.807 10.391 1.00 0.00 C ATOM 1251 OE1 GLN A 79 15.059 5.088 10.517 1.00 0.00 O ATOM 1252 NE2 GLN A 79 13.945 6.977 11.006 1.00 0.00 N ATOM 0 H GLN A 79 12.492 1.496 8.721 1.00 0.00 H new ATOM 0 HA GLN A 79 10.738 3.777 8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.488 3.484 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.726 3.437 9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.053 5.790 8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.985 5.812 9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.104 7.539 10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.693 7.314 11.612 1.00 0.00 H new ATOM 1261 N LEU A 80 11.170 4.886 6.546 1.00 0.00 N ATOM 1262 CA LEU A 80 11.364 5.522 5.248 1.00 0.00 C ATOM 1263 C LEU A 80 11.310 7.041 5.373 1.00 0.00 C ATOM 1264 O LEU A 80 10.258 7.613 5.661 1.00 0.00 O ATOM 1265 CB LEU A 80 10.298 5.042 4.260 1.00 0.00 C ATOM 1266 CG LEU A 80 10.806 4.612 2.883 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.717 3.873 2.120 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.289 5.818 2.090 1.00 0.00 C ATOM 0 H LEU A 80 10.322 5.173 7.035 1.00 0.00 H new ATOM 0 HA LEU A 80 12.349 5.241 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.767 4.202 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.571 5.842 4.123 1.00 0.00 H new ATOM 0 HG LEU A 80 11.648 3.935 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.096 3.575 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.418 2.987 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.855 4.528 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.647 5.492 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.466 6.521 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.101 6.306 2.629 1.00 0.00 H new ATOM 1280 N GLN A 81 12.450 7.689 5.153 1.00 0.00 N ATOM 1281 CA GLN A 81 12.531 9.141 5.240 1.00 0.00 C ATOM 1282 C GLN A 81 12.495 9.773 3.852 1.00 0.00 C ATOM 1283 O GLN A 81 13.143 9.293 2.923 1.00 0.00 O ATOM 1284 CB GLN A 81 13.809 9.560 5.970 1.00 0.00 C ATOM 1285 CG GLN A 81 15.069 9.390 5.135 1.00 0.00 C ATOM 1286 CD GLN A 81 15.545 10.692 4.527 1.00 0.00 C ATOM 1287 OE1 GLN A 81 14.962 11.191 3.563 1.00 0.00 O ATOM 1288 NE2 GLN A 81 16.612 11.253 5.085 1.00 0.00 N ATOM 0 H GLN A 81 13.329 7.231 4.913 1.00 0.00 H new ATOM 0 HA GLN A 81 11.667 9.494 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.720 10.604 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.906 8.972 6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.860 8.974 5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.879 8.670 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 81 17.065 10.806 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.978 12.131 4.716 1.00 0.00 H new ATOM 1297 N GLY A 82 11.732 10.854 3.718 1.00 0.00 N ATOM 1298 CA GLY A 82 11.624 11.533 2.440 1.00 0.00 C ATOM 1299 C GLY A 82 10.381 12.394 2.343 1.00 0.00 C ATOM 1300 O GLY A 82 9.415 12.185 3.078 1.00 0.00 O ATOM 0 H GLY A 82 11.187 11.271 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.506 12.155 2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.613 10.794 1.639 1.00 0.00 H new ATOM 1304 N ASP A 83 10.405 13.364 1.437 1.00 0.00 N ATOM 1305 CA ASP A 83 9.270 14.261 1.245 1.00 0.00 C ATOM 1306 C ASP A 83 8.380 13.777 0.105 1.00 0.00 C ATOM 1307 O ASP A 83 7.737 14.576 -0.575 1.00 0.00 O ATOM 1308 CB ASP A 83 9.758 15.681 0.962 1.00 0.00 C ATOM 1309 CG ASP A 83 10.875 15.716 -0.063 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.879 14.855 -0.967 1.00 0.00 O ATOM 1311 OD2 ASP A 83 11.744 16.605 0.038 1.00 0.00 O ATOM 0 H ASP A 83 11.198 13.550 0.823 1.00 0.00 H new ATOM 0 HA ASP A 83 8.682 14.264 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.923 16.285 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.106 16.134 1.890 1.00 0.00 H new ATOM 1316 N GLN A 84 8.350 12.463 -0.100 1.00 0.00 N ATOM 1317 CA GLN A 84 7.541 11.874 -1.160 1.00 0.00 C ATOM 1318 C GLN A 84 6.688 10.730 -0.621 1.00 0.00 C ATOM 1319 O GLN A 84 6.680 9.633 -1.179 1.00 0.00 O ATOM 1320 CB GLN A 84 8.435 11.370 -2.292 1.00 0.00 C ATOM 1321 CG GLN A 84 9.573 10.480 -1.820 1.00 0.00 C ATOM 1322 CD GLN A 84 10.928 11.147 -1.947 1.00 0.00 C ATOM 1323 OE1 GLN A 84 11.583 11.444 -0.946 1.00 0.00 O ATOM 1324 NE2 GLN A 84 11.357 11.386 -3.179 1.00 0.00 N ATOM 0 H GLN A 84 8.876 11.787 0.454 1.00 0.00 H new ATOM 0 HA GLN A 84 6.877 12.646 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 84 7.825 10.817 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.851 12.226 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.405 10.203 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.571 9.557 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.782 11.123 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.262 11.832 -3.326 1.00 0.00 H new ATOM 1333 N ARG A 85 5.971 10.994 0.467 1.00 0.00 N ATOM 1334 CA ARG A 85 5.116 9.986 1.081 1.00 0.00 C ATOM 1335 C ARG A 85 4.093 9.457 0.080 1.00 0.00 C ATOM 1336 O ARG A 85 3.993 8.251 -0.140 1.00 0.00 O ATOM 1337 CB ARG A 85 4.399 10.569 2.301 1.00 0.00 C ATOM 1338 CG ARG A 85 3.772 9.516 3.199 1.00 0.00 C ATOM 1339 CD ARG A 85 2.681 10.110 4.075 1.00 0.00 C ATOM 1340 NE ARG A 85 1.441 9.340 4.005 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.564 9.448 3.012 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.790 10.289 2.013 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.541 8.714 3.020 1.00 0.00 N ATOM 0 H ARG A 85 5.966 11.897 0.941 1.00 0.00 H new ATOM 0 HA ARG A 85 5.747 9.157 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.110 11.155 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.622 11.255 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.354 8.716 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.541 9.067 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.026 10.148 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.487 11.137 3.766 1.00 0.00 H new ATOM 0 HE ARG A 85 1.237 8.684 4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.638 10.855 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.116 10.370 1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.718 8.067 3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.214 8.797 2.258 1.00 0.00 H new ATOM 1357 N ALA A 86 3.337 10.369 -0.522 1.00 0.00 N ATOM 1358 CA ALA A 86 2.323 9.995 -1.500 1.00 0.00 C ATOM 1359 C ALA A 86 2.917 9.124 -2.601 1.00 0.00 C ATOM 1360 O ALA A 86 2.220 8.307 -3.205 1.00 0.00 O ATOM 1361 CB ALA A 86 1.681 11.239 -2.097 1.00 0.00 C ATOM 0 H ALA A 86 3.408 11.372 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 86 1.556 9.414 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.926 10.945 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.213 11.823 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.444 11.842 -2.589 1.00 0.00 H new ATOM 1367 N LYS A 87 4.208 9.302 -2.859 1.00 0.00 N ATOM 1368 CA LYS A 87 4.897 8.533 -3.887 1.00 0.00 C ATOM 1369 C LYS A 87 5.145 7.101 -3.421 1.00 0.00 C ATOM 1370 O LYS A 87 4.941 6.149 -4.173 1.00 0.00 O ATOM 1371 CB LYS A 87 6.226 9.200 -4.248 1.00 0.00 C ATOM 1372 CG LYS A 87 6.610 9.042 -5.710 1.00 0.00 C ATOM 1373 CD LYS A 87 6.029 10.158 -6.562 1.00 0.00 C ATOM 1374 CE LYS A 87 5.727 9.680 -7.974 1.00 0.00 C ATOM 1375 NZ LYS A 87 4.727 10.550 -8.653 1.00 0.00 N ATOM 0 H LYS A 87 4.799 9.974 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 87 4.260 8.504 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.166 10.262 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.015 8.778 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.696 9.039 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.256 8.079 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.115 10.532 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.731 10.991 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.648 9.663 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.353 8.657 -7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.549 10.191 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.839 10.546 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.094 11.521 -8.710 1.00 0.00 H new ATOM 1389 N VAL A 88 5.586 6.958 -2.175 1.00 0.00 N ATOM 1390 CA VAL A 88 5.861 5.642 -1.608 1.00 0.00 C ATOM 1391 C VAL A 88 4.590 4.804 -1.528 1.00 0.00 C ATOM 1392 O VAL A 88 4.640 3.575 -1.598 1.00 0.00 O ATOM 1393 CB VAL A 88 6.478 5.755 -0.201 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.739 4.375 0.379 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.758 6.575 -0.245 1.00 0.00 C ATOM 0 H VAL A 88 5.760 7.736 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 88 6.575 5.153 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 88 5.768 6.267 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.175 4.475 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.800 3.826 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.430 3.833 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.180 6.645 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.476 6.093 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.536 7.576 -0.616 1.00 0.00 H new ATOM 1405 N CYS A 89 3.453 5.475 -1.383 1.00 0.00 N ATOM 1406 CA CYS A 89 2.168 4.792 -1.292 1.00 0.00 C ATOM 1407 C CYS A 89 1.665 4.393 -2.677 1.00 0.00 C ATOM 1408 O CYS A 89 1.077 3.326 -2.851 1.00 0.00 O ATOM 1409 CB CYS A 89 1.139 5.685 -0.601 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.192 4.779 0.223 1.00 0.00 S ATOM 0 H CYS A 89 3.395 6.492 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 89 2.307 3.887 -0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.649 6.307 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.703 6.357 -1.340 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.011 5.622 0.780 1.00 0.00 H new ATOM 1416 N GLU A 90 1.903 5.259 -3.657 1.00 0.00 N ATOM 1417 CA GLU A 90 1.472 4.997 -5.026 1.00 0.00 C ATOM 1418 C GLU A 90 2.363 3.950 -5.687 1.00 0.00 C ATOM 1419 O GLU A 90 1.903 3.154 -6.506 1.00 0.00 O ATOM 1420 CB GLU A 90 1.490 6.290 -5.845 1.00 0.00 C ATOM 1421 CG GLU A 90 1.239 6.073 -7.329 1.00 0.00 C ATOM 1422 CD GLU A 90 0.161 6.987 -7.878 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -0.917 7.075 -7.250 1.00 0.00 O ATOM 1424 OE2 GLU A 90 0.393 7.613 -8.932 1.00 0.00 O ATOM 0 H GLU A 90 2.391 6.146 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 90 0.453 4.611 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.734 6.970 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.456 6.779 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.166 6.239 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.951 5.035 -7.497 1.00 0.00 H new ATOM 1431 N PHE A 91 3.642 3.958 -5.326 1.00 0.00 N ATOM 1432 CA PHE A 91 4.600 3.011 -5.885 1.00 0.00 C ATOM 1433 C PHE A 91 4.488 1.654 -5.195 1.00 0.00 C ATOM 1434 O PHE A 91 4.682 0.611 -5.818 1.00 0.00 O ATOM 1435 CB PHE A 91 6.024 3.552 -5.744 1.00 0.00 C ATOM 1436 CG PHE A 91 6.951 3.088 -6.832 1.00 0.00 C ATOM 1437 CD1 PHE A 91 7.561 1.847 -6.759 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.212 3.896 -7.927 1.00 0.00 C ATOM 1439 CE1 PHE A 91 8.413 1.417 -7.758 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.064 3.472 -8.929 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.666 2.232 -8.845 1.00 0.00 C ATOM 0 H PHE A 91 4.039 4.610 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 91 4.371 2.881 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.992 4.642 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.427 3.245 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.368 1.207 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.745 4.867 -7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.880 0.446 -7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.259 4.110 -9.778 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.333 1.900 -9.627 1.00 0.00 H new ATOM 1451 N MET A 92 4.173 1.677 -3.905 1.00 0.00 N ATOM 1452 CA MET A 92 4.035 0.449 -3.130 1.00 0.00 C ATOM 1453 C MET A 92 2.795 -0.329 -3.561 1.00 0.00 C ATOM 1454 O MET A 92 2.842 -1.549 -3.718 1.00 0.00 O ATOM 1455 CB MET A 92 3.955 0.769 -1.635 1.00 0.00 C ATOM 1456 CG MET A 92 3.763 -0.458 -0.761 1.00 0.00 C ATOM 1457 SD MET A 92 4.199 -0.157 0.963 1.00 0.00 S ATOM 1458 CE MET A 92 5.922 -0.648 0.968 1.00 0.00 C ATOM 0 H MET A 92 4.008 2.532 -3.374 1.00 0.00 H new ATOM 0 HA MET A 92 4.914 -0.168 -3.316 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.868 1.281 -1.332 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.130 1.460 -1.463 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.723 -0.781 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.372 -1.275 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.334 -0.519 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.003 -1.695 0.675 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.479 -0.030 0.264 1.00 0.00 H new ATOM 1468 N ILE A 93 1.690 0.384 -3.751 1.00 0.00 N ATOM 1469 CA ILE A 93 0.442 -0.240 -4.167 1.00 0.00 C ATOM 1470 C ILE A 93 0.497 -0.662 -5.631 1.00 0.00 C ATOM 1471 O ILE A 93 0.006 -1.729 -5.999 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.756 0.706 -3.962 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.860 1.124 -2.493 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.043 0.038 -4.420 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.739 2.333 -2.269 1.00 0.00 C ATOM 0 H ILE A 93 1.635 1.394 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 93 0.309 -1.123 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.600 1.601 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.251 0.288 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.139 1.336 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.880 0.719 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.966 -0.213 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.206 -0.872 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.766 2.571 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.337 3.182 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.749 2.118 -2.618 1.00 0.00 H new ATOM 1487 N SER A 94 1.100 0.183 -6.462 1.00 0.00 N ATOM 1488 CA SER A 94 1.218 -0.102 -7.887 1.00 0.00 C ATOM 1489 C SER A 94 2.200 -1.244 -8.134 1.00 0.00 C ATOM 1490 O SER A 94 2.123 -1.933 -9.150 1.00 0.00 O ATOM 1491 CB SER A 94 1.673 1.148 -8.642 1.00 0.00 C ATOM 1492 OG SER A 94 1.705 0.917 -10.040 1.00 0.00 O ATOM 0 H SER A 94 1.514 1.069 -6.173 1.00 0.00 H new ATOM 0 HA SER A 94 0.237 -0.404 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.998 1.975 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.663 1.445 -8.297 1.00 0.00 H new ATOM 0 HG SER A 94 1.997 1.732 -10.500 1.00 0.00 H new ATOM 1498 N GLN A 95 3.122 -1.436 -7.195 1.00 0.00 N ATOM 1499 CA GLN A 95 4.120 -2.494 -7.311 1.00 0.00 C ATOM 1500 C GLN A 95 3.662 -3.755 -6.588 1.00 0.00 C ATOM 1501 O GLN A 95 4.121 -4.858 -6.889 1.00 0.00 O ATOM 1502 CB GLN A 95 5.459 -2.023 -6.743 1.00 0.00 C ATOM 1503 CG GLN A 95 6.610 -2.975 -7.028 1.00 0.00 C ATOM 1504 CD GLN A 95 7.184 -3.590 -5.769 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.253 -2.943 -4.723 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.603 -4.847 -5.861 1.00 0.00 N ATOM 0 H GLN A 95 3.199 -0.874 -6.347 1.00 0.00 H new ATOM 0 HA GLN A 95 4.244 -2.729 -8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.697 -1.044 -7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.362 -1.896 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.264 -3.769 -7.690 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.398 -2.439 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.527 -5.346 -6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.001 -5.313 -5.045 1.00 0.00 H new ATOM 1515 N LEU A 96 2.755 -3.586 -5.632 1.00 0.00 N ATOM 1516 CA LEU A 96 2.234 -4.712 -4.864 1.00 0.00 C ATOM 1517 C LEU A 96 1.077 -5.383 -5.597 1.00 0.00 C ATOM 1518 O LEU A 96 0.773 -6.552 -5.361 1.00 0.00 O ATOM 1519 CB LEU A 96 1.774 -4.244 -3.483 1.00 0.00 C ATOM 1520 CG LEU A 96 2.862 -4.136 -2.413 1.00 0.00 C ATOM 1521 CD1 LEU A 96 2.374 -3.305 -1.237 1.00 0.00 C ATOM 1522 CD2 LEU A 96 3.292 -5.520 -1.948 1.00 0.00 C ATOM 0 H LEU A 96 2.365 -2.681 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 96 3.036 -5.440 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.301 -3.268 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.008 -4.932 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 96 3.726 -3.636 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.161 -3.239 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.116 -2.303 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.494 -3.776 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.066 -5.424 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.434 -6.046 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.684 -6.083 -2.795 1.00 0.00 H new ATOM 1534 N GLY A 97 0.435 -4.636 -6.490 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.680 -5.175 -7.245 1.00 0.00 C ATOM 1536 C GLY A 97 -2.020 -4.686 -6.731 1.00 0.00 C ATOM 1537 O GLY A 97 -2.942 -5.478 -6.531 1.00 0.00 O ATOM 0 H GLY A 97 0.668 -3.666 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.573 -4.897 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.653 -6.264 -7.200 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.128 -3.381 -6.514 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.365 -2.788 -6.017 1.00 0.00 C ATOM 1543 C LEU A 98 -3.689 -3.296 -4.616 1.00 0.00 C ATOM 1544 O LEU A 98 -4.781 -3.805 -4.367 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.523 -3.105 -6.967 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.680 -2.105 -6.970 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.666 -1.275 -8.244 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -7.010 -2.829 -6.818 1.00 0.00 C ATOM 0 H LEU A 98 -1.374 -2.712 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.227 -1.708 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.127 -3.175 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.919 -4.088 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.555 -1.432 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.497 -0.569 -8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.726 -0.727 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.765 -1.932 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.822 -2.102 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.142 -3.525 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.020 -3.379 -5.877 1.00 0.00 H new ATOM 1560 N GLN A 99 -2.731 -3.154 -3.704 1.00 0.00 N ATOM 1561 CA GLN A 99 -2.916 -3.597 -2.327 1.00 0.00 C ATOM 1562 C GLN A 99 -3.513 -2.483 -1.473 1.00 0.00 C ATOM 1563 O GLN A 99 -2.823 -1.536 -1.096 1.00 0.00 O ATOM 1564 CB GLN A 99 -1.582 -4.051 -1.734 1.00 0.00 C ATOM 1565 CG GLN A 99 -1.639 -4.311 -0.237 1.00 0.00 C ATOM 1566 CD GLN A 99 -0.460 -5.123 0.260 1.00 0.00 C ATOM 1567 OE1 GLN A 99 0.340 -4.648 1.068 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -0.343 -6.356 -0.219 1.00 0.00 N ATOM 0 H GLN A 99 -1.820 -2.736 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.610 -4.438 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.260 -4.961 -2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.827 -3.290 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.668 -3.359 0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.564 -4.837 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.028 -6.711 -0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.431 -6.948 0.081 1.00 0.00 H new ATOM 1577 N LYS A 100 -4.801 -2.605 -1.169 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.493 -1.610 -0.357 1.00 0.00 C ATOM 1579 C LYS A 100 -6.626 -2.250 0.437 1.00 0.00 C ATOM 1580 O LYS A 100 -7.530 -1.562 0.912 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.045 -0.492 -1.243 1.00 0.00 C ATOM 1582 CG LYS A 100 -5.221 0.783 -1.200 1.00 0.00 C ATOM 1583 CD LYS A 100 -5.775 1.838 -2.141 1.00 0.00 C ATOM 1584 CE LYS A 100 -5.211 3.216 -1.829 1.00 0.00 C ATOM 1585 NZ LYS A 100 -6.239 4.283 -1.977 1.00 0.00 N ATOM 0 H LYS A 100 -5.387 -3.383 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.774 -1.187 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.095 -0.847 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.065 -0.265 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.207 1.174 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.189 0.559 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.536 1.570 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.862 1.862 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.821 3.227 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.373 3.424 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.815 5.207 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.594 4.290 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.027 4.099 -1.324 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.571 -3.570 0.581 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.592 -4.303 1.321 1.00 0.00 C ATOM 1601 C LYS A 101 -7.753 -3.739 2.729 1.00 0.00 C ATOM 1602 O LYS A 101 -8.820 -3.845 3.331 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.230 -5.788 1.393 1.00 0.00 C ATOM 1604 CG LYS A 101 -7.898 -6.631 0.320 1.00 0.00 C ATOM 1605 CD LYS A 101 -6.980 -6.852 -0.868 1.00 0.00 C ATOM 1606 CE LYS A 101 -7.412 -6.024 -2.069 1.00 0.00 C ATOM 1607 NZ LYS A 101 -6.363 -5.989 -3.126 1.00 0.00 N ATOM 0 H LYS A 101 -5.830 -4.154 0.195 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.539 -4.191 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.149 -5.894 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.510 -6.174 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.188 -7.594 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.813 -6.140 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.958 -6.590 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.977 -7.909 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.331 -6.438 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.637 -5.007 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.071 -5.005 -3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.541 -6.547 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.744 -6.391 -4.006 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.687 -3.139 3.247 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.713 -2.557 4.585 1.00 0.00 C ATOM 1623 C ASN A 102 -5.410 -1.818 4.880 1.00 0.00 C ATOM 1624 O ASN A 102 -4.338 -2.228 4.436 1.00 0.00 O ATOM 1625 CB ASN A 102 -6.941 -3.646 5.634 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.460 -3.089 6.944 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.839 -2.215 7.548 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.607 -3.590 7.389 1.00 0.00 N ATOM 0 H ASN A 102 -5.795 -3.043 2.762 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.535 -1.843 4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.651 -4.376 5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.005 -4.175 5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.006 -3.251 8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.088 -4.314 6.856 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.513 -0.727 5.633 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.344 0.067 5.989 1.00 0.00 C ATOM 1637 C ILE A 103 -4.427 0.549 7.433 1.00 0.00 C ATOM 1638 O ILE A 103 -5.372 1.242 7.816 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.188 1.287 5.061 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.377 0.872 3.601 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -2.826 1.934 5.262 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -5.801 1.016 3.110 1.00 0.00 C ATOM 0 H ILE A 103 -6.393 -0.374 6.008 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.475 -0.581 5.873 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.956 2.018 5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.722 1.476 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.064 -0.165 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.731 2.794 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.727 2.260 6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.043 1.211 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -5.860 0.704 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.459 0.391 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.112 2.057 3.195 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.432 0.180 8.232 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.388 0.576 9.634 1.00 0.00 C ATOM 1656 C LYS A 104 -2.556 1.841 9.818 1.00 0.00 C ATOM 1657 O LYS A 104 -1.328 1.804 9.733 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.810 -0.555 10.488 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.290 -0.538 11.929 1.00 0.00 C ATOM 1660 CD LYS A 104 -4.791 -0.758 12.020 1.00 0.00 C ATOM 1661 CE LYS A 104 -5.477 0.378 12.764 1.00 0.00 C ATOM 1662 NZ LYS A 104 -6.852 0.627 12.250 1.00 0.00 N ATOM 0 H LYS A 104 -2.644 -0.394 7.932 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.408 0.783 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.076 -1.511 10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.722 -0.488 10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.773 -1.313 12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.033 0.417 12.388 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.209 -0.842 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.991 -1.701 12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.524 0.140 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.883 1.287 12.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.286 1.408 12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.805 0.879 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.427 -0.232 12.366 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.232 2.957 10.069 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.554 4.232 10.267 1.00 0.00 C ATOM 1678 C ILE A 105 -2.528 4.619 11.741 1.00 0.00 C ATOM 1679 O ILE A 105 -3.530 4.485 12.446 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.229 5.358 9.462 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.524 4.891 8.036 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.349 6.599 9.448 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.207 5.939 7.186 1.00 0.00 C ATOM 0 H ILE A 105 -4.248 3.004 10.140 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.532 4.105 9.911 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.174 5.611 9.943 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.589 4.599 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.153 4.001 8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.839 7.386 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.186 6.941 10.470 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.390 6.360 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.385 5.538 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.158 6.214 7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.571 6.821 7.115 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.379 5.103 12.202 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.223 5.511 13.593 1.00 0.00 C ATOM 1697 C HIS A 106 -1.550 6.992 13.763 1.00 0.00 C ATOM 1698 O HIS A 106 -1.005 7.842 13.061 1.00 0.00 O ATOM 1699 CB HIS A 106 0.201 5.234 14.072 1.00 0.00 C ATOM 1700 CG HIS A 106 0.262 4.463 15.357 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.384 5.066 16.590 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.213 3.131 15.592 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.410 4.139 17.530 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.309 2.955 16.950 1.00 0.00 N ATOM 0 H HIS A 106 -0.542 5.222 11.632 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.920 4.930 14.197 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.734 4.680 13.300 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.723 6.182 14.202 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.116 2.352 14.850 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.499 4.317 18.591 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.303 2.057 17.433 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.446 7.292 14.699 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.830 8.670 14.943 1.00 0.00 C ATOM 1714 C GLY A 107 -2.318 9.189 16.273 1.00 0.00 C ATOM 1715 O GLY A 107 -3.045 9.200 17.264 1.00 0.00 O ATOM 0 H GLY A 107 -2.912 6.606 15.292 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.446 9.298 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.917 8.751 14.919 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.059 9.616 16.293 1.00 0.00 N ATOM 1720 CA PHE A 108 -0.448 10.136 17.511 1.00 0.00 C ATOM 1721 C PHE A 108 -0.501 9.099 18.630 1.00 0.00 C ATOM 1722 O PHE A 108 0.424 8.303 18.796 1.00 0.00 O ATOM 1723 CB PHE A 108 -1.155 11.417 17.955 1.00 0.00 C ATOM 1724 CG PHE A 108 -0.498 12.091 19.125 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -0.812 11.718 20.422 1.00 0.00 C ATOM 1726 CD2 PHE A 108 0.436 13.095 18.929 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -0.210 12.336 21.502 1.00 0.00 C ATOM 1728 CE2 PHE A 108 1.044 13.717 20.004 1.00 0.00 C ATOM 1729 CZ PHE A 108 0.721 13.335 21.293 1.00 0.00 C ATOM 0 H PHE A 108 -0.443 9.612 15.480 1.00 0.00 H new ATOM 0 HA PHE A 108 0.597 10.362 17.296 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.188 12.113 17.117 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.187 11.181 18.215 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.536 10.935 20.591 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.693 13.396 17.924 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.467 12.038 22.508 1.00 0.00 H new ATOM 0 HE2 PHE A 108 1.770 14.499 19.837 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.196 13.817 22.135 1.00 0.00 H new TER 1739 PHE A 108