USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 655 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 57 MET CE :methyl 142:sc= -0.172 (180deg=-1.88!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.0643 USER MOD Set 2.1: A 37 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.4) USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 ASN : amide:sc= 0.923 K(o=2.7,f=0.024!) USER MOD Set 3.2: A 17 THR OG1 : rot 144:sc= 1.73 USER MOD Set 4.1: A 8 THR OG1 : rot -94:sc= 0.553 USER MOD Set 4.2: A 9 THR OG1 : rot 45:sc= 0.762 USER MOD Set 4.3: A 49 SER OG : rot -75:sc= 2.38 USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0544 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00195 X(o=-0.0019,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.877 K(o=-0.88,f=-1.6) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.565 K(o=-0.57,f=-1.9!) USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= 0.52 (180deg=-0.18) USER MOD Single : A 23 ASN : amide:sc= -3.68! C(o=-3.7!,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0.469) USER MOD Single : A 27 THR OG1 : rot 76:sc= 0.849 USER MOD Single : A 29 ASN : amide:sc= 0.917 K(o=0.92,f=-0.015) USER MOD Single : A 32 LYS NZ :NH3+ 132:sc= 0.727 (180deg=-0.953) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 63:sc= 0.192 USER MOD Single : A 42 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.0038) USER MOD Single : A 44 SER OG : rot -140:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.0207 USER MOD Single : A 64 GLN : amide:sc= -0.659 X(o=-0.66,f=-0.82) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0231) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 0.643 K(o=0.64,f=-4.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= 1.41 (180deg=1.16) USER MOD Single : A 90 ASN : amide:sc= 1.05 K(o=1.1,f=-0.12) USER MOD Single : A 94 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.75) USER MOD Single : A 99 GLN : amide:sc= 0.0902 K(o=0.09,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.550 24.979 -6.676 1.00 21.30 N ATOM 2 CA GLY A 1 -5.310 25.246 -5.946 1.00 42.34 C ATOM 3 C GLY A 1 -5.510 26.441 -5.044 1.00 32.30 C ATOM 4 O GLY A 1 -6.175 27.397 -5.447 1.00 4.30 O ATOM 0 H1 GLY A 1 -6.329 24.766 -7.670 1.00 21.30 H new ATOM 0 H2 GLY A 1 -7.037 24.166 -6.247 1.00 21.30 H new ATOM 0 H3 GLY A 1 -7.167 25.815 -6.630 1.00 21.30 H new ATOM 0 HA2 GLY A 1 -5.026 24.374 -5.356 1.00 42.34 H new ATOM 0 HA3 GLY A 1 -4.496 25.436 -6.646 1.00 42.34 H new ATOM 8 N ALA A 2 -4.960 26.397 -3.829 1.00 42.43 N ATOM 9 CA ALA A 2 -5.082 27.467 -2.846 1.00 51.41 C ATOM 10 C ALA A 2 -3.732 28.155 -2.638 1.00 44.31 C ATOM 11 O ALA A 2 -2.686 27.562 -2.915 1.00 0.01 O ATOM 12 CB ALA A 2 -5.593 26.859 -1.541 1.00 20.31 C ATOM 0 H ALA A 2 -4.410 25.604 -3.499 1.00 42.43 H new ATOM 0 HA ALA A 2 -5.783 28.224 -3.197 1.00 51.41 H new ATOM 0 HB1 ALA A 2 -5.692 27.642 -0.789 1.00 20.31 H new ATOM 0 HB2 ALA A 2 -6.564 26.395 -1.712 1.00 20.31 H new ATOM 0 HB3 ALA A 2 -4.888 26.106 -1.190 1.00 20.31 H new ATOM 18 N GLN A 3 -3.747 29.373 -2.085 1.00 74.41 N ATOM 19 CA GLN A 3 -2.536 30.149 -1.787 1.00 11.30 C ATOM 20 C GLN A 3 -1.701 29.537 -0.650 1.00 14.34 C ATOM 21 O GLN A 3 -0.606 30.012 -0.359 1.00 32.14 O ATOM 22 CB GLN A 3 -2.891 31.605 -1.442 1.00 31.50 C ATOM 23 CG GLN A 3 -3.602 32.337 -2.592 1.00 31.54 C ATOM 24 CD GLN A 3 -3.688 33.849 -2.372 1.00 42.33 C ATOM 25 OE1 GLN A 3 -3.420 34.629 -3.273 1.00 32.10 O ATOM 26 NE2 GLN A 3 -4.074 34.310 -1.192 1.00 31.14 N ATOM 0 H GLN A 3 -4.609 29.854 -1.829 1.00 74.41 H new ATOM 0 HA GLN A 3 -1.927 30.125 -2.691 1.00 11.30 H new ATOM 0 HB2 GLN A 3 -3.531 31.618 -0.559 1.00 31.50 H new ATOM 0 HB3 GLN A 3 -1.980 32.144 -1.183 1.00 31.50 H new ATOM 0 HG2 GLN A 3 -3.072 32.140 -3.524 1.00 31.54 H new ATOM 0 HG3 GLN A 3 -4.608 31.934 -2.706 1.00 31.54 H new ATOM 0 HE21 GLN A 3 -4.298 33.660 -0.439 1.00 31.14 H new ATOM 0 HE22 GLN A 3 -4.147 35.315 -1.036 1.00 31.14 H new ATOM 33 N ASP A 4 -2.194 28.482 -0.008 1.00 22.23 N ATOM 34 CA ASP A 4 -1.478 27.650 0.933 1.00 44.45 C ATOM 35 C ASP A 4 -2.051 26.281 0.652 1.00 42.31 C ATOM 36 O ASP A 4 -3.249 26.066 0.838 1.00 60.44 O ATOM 37 CB ASP A 4 -1.705 28.055 2.388 1.00 21.14 C ATOM 38 CG ASP A 4 -1.113 26.988 3.309 1.00 44.45 C ATOM 39 OD1 ASP A 4 0.040 26.560 3.070 1.00 44.21 O ATOM 40 OD2 ASP A 4 -1.784 26.554 4.270 1.00 14.01 O ATOM 0 H ASP A 4 -3.157 28.174 -0.143 1.00 22.23 H new ATOM 0 HA ASP A 4 -0.397 27.719 0.811 1.00 44.45 H new ATOM 0 HB2 ASP A 4 -1.240 29.021 2.585 1.00 21.14 H new ATOM 0 HB3 ASP A 4 -2.771 28.169 2.583 1.00 21.14 H new ATOM 44 N GLY A 5 -1.256 25.428 0.030 1.00 2.42 N ATOM 45 CA GLY A 5 -1.711 24.166 -0.510 1.00 15.02 C ATOM 46 C GLY A 5 -0.495 23.384 -0.963 1.00 55.32 C ATOM 47 O GLY A 5 -0.239 23.248 -2.164 1.00 34.50 O ATOM 0 H GLY A 5 -0.261 25.599 -0.115 1.00 2.42 H new ATOM 0 HA2 GLY A 5 -2.265 23.606 0.244 1.00 15.02 H new ATOM 0 HA3 GLY A 5 -2.390 24.332 -1.346 1.00 15.02 H new ATOM 51 N LYS A 6 0.318 22.974 0.006 1.00 11.43 N ATOM 52 CA LYS A 6 1.644 22.391 -0.161 1.00 51.43 C ATOM 53 C LYS A 6 1.864 21.399 0.986 1.00 51.03 C ATOM 54 O LYS A 6 2.908 21.403 1.631 1.00 74.23 O ATOM 55 CB LYS A 6 2.666 23.543 -0.215 1.00 2.44 C ATOM 56 CG LYS A 6 4.040 23.128 -0.771 1.00 12.12 C ATOM 57 CD LYS A 6 4.801 24.397 -1.182 1.00 74.55 C ATOM 58 CE LYS A 6 6.253 24.093 -1.557 1.00 0.04 C ATOM 59 NZ LYS A 6 6.891 25.242 -2.231 1.00 35.32 N ATOM 0 H LYS A 6 0.052 23.045 0.988 1.00 11.43 H new ATOM 0 HA LYS A 6 1.759 21.831 -1.089 1.00 51.43 H new ATOM 0 HB2 LYS A 6 2.262 24.346 -0.832 1.00 2.44 H new ATOM 0 HB3 LYS A 6 2.797 23.947 0.789 1.00 2.44 H new ATOM 0 HG2 LYS A 6 4.602 22.576 -0.018 1.00 12.12 H new ATOM 0 HG3 LYS A 6 3.918 22.465 -1.628 1.00 12.12 H new ATOM 0 HD2 LYS A 6 4.297 24.865 -2.028 1.00 74.55 H new ATOM 0 HD3 LYS A 6 4.780 25.115 -0.362 1.00 74.55 H new ATOM 0 HE2 LYS A 6 6.816 23.838 -0.659 1.00 0.04 H new ATOM 0 HE3 LYS A 6 6.286 23.222 -2.211 1.00 0.04 H new ATOM 0 HZ1 LYS A 6 7.874 25.002 -2.471 1.00 35.32 H new ATOM 0 HZ2 LYS A 6 6.368 25.469 -3.101 1.00 35.32 H new ATOM 0 HZ3 LYS A 6 6.881 26.066 -1.596 1.00 35.32 H new ATOM 69 N GLU A 7 0.846 20.589 1.264 1.00 24.50 N ATOM 70 CA GLU A 7 0.922 19.383 2.070 1.00 21.34 C ATOM 71 C GLU A 7 0.078 18.378 1.301 1.00 11.24 C ATOM 72 O GLU A 7 -1.154 18.452 1.314 1.00 1.21 O ATOM 73 CB GLU A 7 0.415 19.610 3.500 1.00 3.24 C ATOM 74 CG GLU A 7 0.803 18.424 4.405 1.00 52.43 C ATOM 75 CD GLU A 7 2.268 18.434 4.873 1.00 11.32 C ATOM 76 OE1 GLU A 7 3.026 19.387 4.587 1.00 24.44 O ATOM 77 OE2 GLU A 7 2.660 17.512 5.627 1.00 23.21 O ATOM 0 H GLU A 7 -0.096 20.767 0.915 1.00 24.50 H new ATOM 0 HA GLU A 7 1.946 19.036 2.210 1.00 21.34 H new ATOM 0 HB2 GLU A 7 0.836 20.533 3.899 1.00 3.24 H new ATOM 0 HB3 GLU A 7 -0.668 19.731 3.493 1.00 3.24 H new ATOM 0 HG2 GLU A 7 0.155 18.424 5.281 1.00 52.43 H new ATOM 0 HG3 GLU A 7 0.612 17.495 3.867 1.00 52.43 H new ATOM 82 N THR A 8 0.718 17.531 0.510 1.00 55.41 N ATOM 83 CA THR A 8 0.073 16.432 -0.183 1.00 63.25 C ATOM 84 C THR A 8 -0.254 15.315 0.814 1.00 61.34 C ATOM 85 O THR A 8 -0.286 15.532 2.028 1.00 61.21 O ATOM 86 CB THR A 8 0.900 16.029 -1.420 1.00 53.12 C ATOM 87 OG1 THR A 8 0.176 15.229 -2.332 1.00 44.44 O ATOM 88 CG2 THR A 8 2.251 15.380 -1.131 1.00 44.04 C ATOM 0 H THR A 8 1.720 17.591 0.330 1.00 55.41 H new ATOM 0 HA THR A 8 -0.893 16.725 -0.593 1.00 63.25 H new ATOM 0 HB THR A 8 1.117 16.994 -1.878 1.00 53.12 H new ATOM 0 HG1 THR A 8 0.342 14.282 -2.140 1.00 44.44 H new ATOM 0 HG21 THR A 8 2.747 15.138 -2.071 1.00 44.04 H new ATOM 0 HG22 THR A 8 2.872 16.071 -0.561 1.00 44.04 H new ATOM 0 HG23 THR A 8 2.100 14.467 -0.554 1.00 44.04 H new ATOM 96 N THR A 9 -0.596 14.141 0.300 1.00 14.01 N ATOM 97 CA THR A 9 -0.744 12.935 1.113 1.00 44.44 C ATOM 98 C THR A 9 0.493 12.053 0.992 1.00 63.50 C ATOM 99 O THR A 9 1.241 12.156 0.014 1.00 20.15 O ATOM 100 CB THR A 9 -2.030 12.161 0.767 1.00 13.21 C ATOM 101 OG1 THR A 9 -2.517 12.407 -0.540 1.00 52.31 O ATOM 102 CG2 THR A 9 -3.120 12.595 1.730 1.00 43.23 C ATOM 0 H THR A 9 -0.779 13.995 -0.693 1.00 14.01 H new ATOM 0 HA THR A 9 -0.838 13.245 2.154 1.00 44.44 H new ATOM 0 HB THR A 9 -1.780 11.102 0.837 1.00 13.21 H new ATOM 0 HG1 THR A 9 -1.774 12.374 -1.178 1.00 52.31 H new ATOM 0 HG21 THR A 9 -4.041 12.058 1.503 1.00 43.23 H new ATOM 0 HG22 THR A 9 -2.813 12.372 2.752 1.00 43.23 H new ATOM 0 HG23 THR A 9 -3.290 13.667 1.628 1.00 43.23 H new ATOM 110 N THR A 10 0.663 11.139 1.942 1.00 72.34 N ATOM 111 CA THR A 10 1.755 10.179 1.964 1.00 20.41 C ATOM 112 C THR A 10 1.166 8.761 1.942 1.00 0.14 C ATOM 113 O THR A 10 -0.035 8.573 2.186 1.00 33.53 O ATOM 114 CB THR A 10 2.650 10.494 3.182 1.00 61.31 C ATOM 115 OG1 THR A 10 3.024 11.861 3.136 1.00 4.21 O ATOM 116 CG2 THR A 10 3.953 9.687 3.224 1.00 64.44 C ATOM 0 H THR A 10 0.029 11.045 2.735 1.00 72.34 H new ATOM 0 HA THR A 10 2.397 10.247 1.086 1.00 20.41 H new ATOM 0 HB THR A 10 2.059 10.235 4.061 1.00 61.31 H new ATOM 0 HG1 THR A 10 3.591 12.071 3.907 1.00 4.21 H new ATOM 0 HG21 THR A 10 4.525 9.966 4.109 1.00 64.44 H new ATOM 0 HG22 THR A 10 3.721 8.623 3.263 1.00 64.44 H new ATOM 0 HG23 THR A 10 4.541 9.898 2.330 1.00 64.44 H new ATOM 124 N ILE A 11 1.986 7.779 1.556 1.00 24.23 N ATOM 125 CA ILE A 11 1.690 6.353 1.597 1.00 15.44 C ATOM 126 C ILE A 11 2.968 5.670 2.098 1.00 43.04 C ATOM 127 O ILE A 11 4.075 6.138 1.819 1.00 53.12 O ATOM 128 CB ILE A 11 1.273 5.836 0.198 1.00 14.12 C ATOM 129 CG1 ILE A 11 0.081 6.616 -0.406 1.00 44.02 C ATOM 130 CG2 ILE A 11 0.908 4.342 0.249 1.00 12.04 C ATOM 131 CD1 ILE A 11 0.504 7.692 -1.405 1.00 1.11 C ATOM 0 H ILE A 11 2.918 7.971 1.189 1.00 24.23 H new ATOM 0 HA ILE A 11 0.851 6.135 2.258 1.00 15.44 H new ATOM 0 HB ILE A 11 2.140 5.992 -0.444 1.00 14.12 H new ATOM 0 HG12 ILE A 11 -0.589 5.914 -0.902 1.00 44.02 H new ATOM 0 HG13 ILE A 11 -0.485 7.082 0.401 1.00 44.02 H new ATOM 0 HG21 ILE A 11 0.619 4.004 -0.746 1.00 12.04 H new ATOM 0 HG22 ILE A 11 1.769 3.768 0.591 1.00 12.04 H new ATOM 0 HG23 ILE A 11 0.077 4.194 0.938 1.00 12.04 H new ATOM 0 HD11 ILE A 11 -0.381 8.200 -1.789 1.00 1.11 H new ATOM 0 HD12 ILE A 11 1.151 8.416 -0.908 1.00 1.11 H new ATOM 0 HD13 ILE A 11 1.044 7.229 -2.231 1.00 1.11 H new ATOM 142 N ARG A 12 2.838 4.546 2.810 1.00 33.11 N ATOM 143 CA ARG A 12 3.956 3.785 3.362 1.00 1.41 C ATOM 144 C ARG A 12 3.671 2.300 3.191 1.00 71.10 C ATOM 145 O ARG A 12 2.632 1.802 3.623 1.00 15.14 O ATOM 146 CB ARG A 12 4.195 4.218 4.817 1.00 60.52 C ATOM 147 CG ARG A 12 5.587 3.924 5.402 1.00 40.11 C ATOM 148 CD ARG A 12 5.705 2.597 6.136 1.00 0.12 C ATOM 149 NE ARG A 12 6.956 2.536 6.910 1.00 13.24 N ATOM 150 CZ ARG A 12 7.150 1.961 8.102 1.00 12.23 C ATOM 151 NH1 ARG A 12 6.156 1.474 8.826 1.00 41.24 N ATOM 152 NH2 ARG A 12 8.376 1.866 8.582 1.00 43.30 N ATOM 0 H ARG A 12 1.930 4.133 3.022 1.00 33.11 H new ATOM 0 HA ARG A 12 4.885 3.987 2.830 1.00 1.41 H new ATOM 0 HB2 ARG A 12 4.015 5.291 4.887 1.00 60.52 H new ATOM 0 HB3 ARG A 12 3.451 3.728 5.445 1.00 60.52 H new ATOM 0 HG2 ARG A 12 6.317 3.941 4.592 1.00 40.11 H new ATOM 0 HG3 ARG A 12 5.854 4.727 6.088 1.00 40.11 H new ATOM 0 HD2 ARG A 12 4.853 2.469 6.803 1.00 0.12 H new ATOM 0 HD3 ARG A 12 5.675 1.776 5.419 1.00 0.12 H new ATOM 0 HE ARG A 12 7.769 2.984 6.488 1.00 13.24 H new ATOM 0 HH11 ARG A 12 5.198 1.529 8.480 1.00 41.24 H new ATOM 0 HH12 ARG A 12 6.347 1.043 9.731 1.00 41.24 H new ATOM 0 HH21 ARG A 12 9.163 2.229 8.045 1.00 43.30 H new ATOM 0 HH22 ARG A 12 8.536 1.429 9.490 1.00 43.30 H new ATOM 163 N LEU A 13 4.552 1.599 2.495 1.00 0.31 N ATOM 164 CA LEU A 13 4.441 0.177 2.174 1.00 62.44 C ATOM 165 C LEU A 13 5.381 -0.589 3.095 1.00 41.33 C ATOM 166 O LEU A 13 6.545 -0.209 3.208 1.00 13.21 O ATOM 167 CB LEU A 13 4.831 -0.047 0.695 1.00 60.20 C ATOM 168 CG LEU A 13 3.694 0.108 -0.336 1.00 12.42 C ATOM 169 CD1 LEU A 13 2.871 -1.174 -0.449 1.00 40.21 C ATOM 170 CD2 LEU A 13 2.755 1.281 -0.047 1.00 23.41 C ATOM 0 H LEU A 13 5.402 2.020 2.120 1.00 0.31 H new ATOM 0 HA LEU A 13 3.419 -0.174 2.317 1.00 62.44 H new ATOM 0 HB2 LEU A 13 5.625 0.655 0.439 1.00 60.20 H new ATOM 0 HB3 LEU A 13 5.248 -1.049 0.598 1.00 60.20 H new ATOM 0 HG LEU A 13 4.195 0.317 -1.281 1.00 12.42 H new ATOM 0 HD11 LEU A 13 2.078 -1.034 -1.183 1.00 40.21 H new ATOM 0 HD12 LEU A 13 3.516 -1.994 -0.764 1.00 40.21 H new ATOM 0 HD13 LEU A 13 2.431 -1.411 0.520 1.00 40.21 H new ATOM 0 HD21 LEU A 13 1.982 1.326 -0.814 1.00 23.41 H new ATOM 0 HD22 LEU A 13 2.290 1.143 0.929 1.00 23.41 H new ATOM 0 HD23 LEU A 13 3.323 2.211 -0.050 1.00 23.41 H new ATOM 181 N ILE A 14 4.903 -1.657 3.740 1.00 55.31 N ATOM 182 CA ILE A 14 5.686 -2.494 4.632 1.00 24.51 C ATOM 183 C ILE A 14 5.488 -3.947 4.210 1.00 23.45 C ATOM 184 O ILE A 14 4.382 -4.477 4.302 1.00 14.54 O ATOM 185 CB ILE A 14 5.271 -2.302 6.106 1.00 3.03 C ATOM 186 CG1 ILE A 14 5.125 -0.839 6.566 1.00 22.24 C ATOM 187 CG2 ILE A 14 6.350 -2.974 6.967 1.00 61.11 C ATOM 188 CD1 ILE A 14 3.766 -0.194 6.262 1.00 43.00 C ATOM 0 H ILE A 14 3.935 -1.965 3.649 1.00 55.31 H new ATOM 0 HA ILE A 14 6.736 -2.212 4.560 1.00 24.51 H new ATOM 0 HB ILE A 14 4.279 -2.740 6.214 1.00 3.03 H new ATOM 0 HG12 ILE A 14 5.299 -0.793 7.641 1.00 22.24 H new ATOM 0 HG13 ILE A 14 5.906 -0.245 6.091 1.00 22.24 H new ATOM 0 HG21 ILE A 14 6.096 -2.862 8.021 1.00 61.11 H new ATOM 0 HG22 ILE A 14 6.407 -4.034 6.718 1.00 61.11 H new ATOM 0 HG23 ILE A 14 7.314 -2.504 6.774 1.00 61.11 H new ATOM 0 HD11 ILE A 14 3.762 0.834 6.624 1.00 43.00 H new ATOM 0 HD12 ILE A 14 3.593 -0.201 5.186 1.00 43.00 H new ATOM 0 HD13 ILE A 14 2.977 -0.757 6.760 1.00 43.00 H new ATOM 199 N ASN A 15 6.553 -4.607 3.754 1.00 51.44 N ATOM 200 CA ASN A 15 6.554 -6.049 3.553 1.00 12.55 C ATOM 201 C ASN A 15 6.663 -6.711 4.920 1.00 64.24 C ATOM 202 O ASN A 15 7.674 -6.508 5.584 1.00 33.05 O ATOM 203 CB ASN A 15 7.702 -6.435 2.623 1.00 24.34 C ATOM 204 CG ASN A 15 7.491 -7.728 1.871 1.00 20.12 C ATOM 205 OD1 ASN A 15 6.375 -8.121 1.564 1.00 34.03 O ATOM 206 ND2 ASN A 15 8.577 -8.347 1.469 1.00 3.33 N ATOM 0 H ASN A 15 7.435 -4.155 3.515 1.00 51.44 H new ATOM 0 HA ASN A 15 5.634 -6.388 3.076 1.00 12.55 H new ATOM 0 HB2 ASN A 15 7.855 -5.631 1.903 1.00 24.34 H new ATOM 0 HB3 ASN A 15 8.617 -6.516 3.210 1.00 24.34 H new ATOM 0 HD21 ASN A 15 8.503 -9.179 0.884 1.00 3.33 H new ATOM 0 HD22 ASN A 15 9.495 -7.995 1.741 1.00 3.33 H new ATOM 212 N GLN A 16 5.649 -7.437 5.393 1.00 4.35 N ATOM 213 CA GLN A 16 5.633 -8.067 6.724 1.00 22.45 C ATOM 214 C GLN A 16 5.536 -9.597 6.596 1.00 24.02 C ATOM 215 O GLN A 16 5.047 -10.288 7.491 1.00 74.42 O ATOM 216 CB GLN A 16 4.564 -7.442 7.658 1.00 2.32 C ATOM 217 CG GLN A 16 4.545 -5.901 7.584 1.00 53.43 C ATOM 218 CD GLN A 16 3.866 -5.200 8.751 1.00 62.11 C ATOM 219 OE1 GLN A 16 3.125 -4.242 8.567 1.00 15.51 O ATOM 220 NE2 GLN A 16 4.166 -5.584 9.973 1.00 35.31 N ATOM 0 H GLN A 16 4.799 -7.610 4.857 1.00 4.35 H new ATOM 0 HA GLN A 16 6.582 -7.857 7.217 1.00 22.45 H new ATOM 0 HB2 GLN A 16 3.581 -7.828 7.389 1.00 2.32 H new ATOM 0 HB3 GLN A 16 4.758 -7.751 8.685 1.00 2.32 H new ATOM 0 HG2 GLN A 16 5.573 -5.545 7.516 1.00 53.43 H new ATOM 0 HG3 GLN A 16 4.044 -5.605 6.663 1.00 53.43 H new ATOM 0 HE21 GLN A 16 4.784 -6.382 10.120 1.00 35.31 H new ATOM 0 HE22 GLN A 16 3.781 -5.083 10.774 1.00 35.31 H new ATOM 227 N THR A 17 6.005 -10.137 5.471 1.00 31.43 N ATOM 228 CA THR A 17 5.926 -11.547 5.094 1.00 74.40 C ATOM 229 C THR A 17 7.306 -12.217 5.103 1.00 54.41 C ATOM 230 O THR A 17 8.351 -11.566 5.224 1.00 15.34 O ATOM 231 CB THR A 17 5.300 -11.636 3.691 1.00 23.25 C ATOM 232 OG1 THR A 17 5.924 -10.688 2.854 1.00 34.23 O ATOM 233 CG2 THR A 17 3.801 -11.369 3.760 1.00 61.02 C ATOM 0 H THR A 17 6.474 -9.573 4.762 1.00 31.43 H new ATOM 0 HA THR A 17 5.311 -12.076 5.822 1.00 74.40 H new ATOM 0 HB THR A 17 5.449 -12.638 3.289 1.00 23.25 H new ATOM 0 HG1 THR A 17 6.011 -11.057 1.950 1.00 34.23 H new ATOM 0 HG21 THR A 17 3.373 -11.436 2.760 1.00 61.02 H new ATOM 0 HG22 THR A 17 3.329 -12.109 4.407 1.00 61.02 H new ATOM 0 HG23 THR A 17 3.627 -10.371 4.163 1.00 61.02 H new ATOM 241 N TYR A 18 7.313 -13.537 4.918 1.00 52.11 N ATOM 242 CA TYR A 18 8.501 -14.374 4.766 1.00 0.32 C ATOM 243 C TYR A 18 9.056 -14.397 3.331 1.00 64.23 C ATOM 244 O TYR A 18 9.789 -15.322 2.981 1.00 23.45 O ATOM 245 CB TYR A 18 8.269 -15.780 5.367 1.00 52.30 C ATOM 246 CG TYR A 18 7.165 -16.688 4.825 1.00 72.22 C ATOM 247 CD1 TYR A 18 6.961 -16.905 3.444 1.00 40.42 C ATOM 248 CD2 TYR A 18 6.341 -17.372 5.744 1.00 62.30 C ATOM 249 CE1 TYR A 18 5.938 -17.764 2.999 1.00 61.00 C ATOM 250 CE2 TYR A 18 5.338 -18.251 5.305 1.00 23.23 C ATOM 251 CZ TYR A 18 5.129 -18.452 3.929 1.00 62.14 C ATOM 252 OH TYR A 18 4.132 -19.276 3.516 1.00 42.13 O ATOM 0 H TYR A 18 6.449 -14.077 4.868 1.00 52.11 H new ATOM 0 HA TYR A 18 9.297 -13.910 5.348 1.00 0.32 H new ATOM 0 HB2 TYR A 18 9.208 -16.327 5.276 1.00 52.30 H new ATOM 0 HB3 TYR A 18 8.080 -15.646 6.432 1.00 52.30 H new ATOM 0 HD1 TYR A 18 7.595 -16.408 2.724 1.00 40.42 H new ATOM 0 HD2 TYR A 18 6.484 -17.217 6.803 1.00 62.30 H new ATOM 0 HE1 TYR A 18 5.771 -17.897 1.940 1.00 61.00 H new ATOM 0 HE2 TYR A 18 4.726 -18.774 6.025 1.00 23.23 H new ATOM 0 HH TYR A 18 3.683 -19.663 4.296 1.00 42.13 H new ATOM 261 N PHE A 19 8.738 -13.424 2.472 1.00 0.53 N ATOM 262 CA PHE A 19 9.170 -13.411 1.072 1.00 11.41 C ATOM 263 C PHE A 19 9.699 -12.030 0.673 1.00 34.32 C ATOM 264 O PHE A 19 9.906 -11.159 1.519 1.00 72.10 O ATOM 265 CB PHE A 19 8.057 -13.968 0.159 1.00 52.32 C ATOM 266 CG PHE A 19 6.697 -13.292 0.235 1.00 63.10 C ATOM 267 CD1 PHE A 19 6.546 -11.932 -0.110 1.00 24.23 C ATOM 268 CD2 PHE A 19 5.562 -14.034 0.627 1.00 20.33 C ATOM 269 CE1 PHE A 19 5.286 -11.317 -0.037 1.00 44.43 C ATOM 270 CE2 PHE A 19 4.314 -13.411 0.714 1.00 14.43 C ATOM 271 CZ PHE A 19 4.175 -12.062 0.371 1.00 0.11 C ATOM 0 H PHE A 19 8.169 -12.618 2.731 1.00 0.53 H new ATOM 0 HA PHE A 19 10.018 -14.083 0.941 1.00 11.41 H new ATOM 0 HB2 PHE A 19 8.406 -13.912 -0.872 1.00 52.32 H new ATOM 0 HB3 PHE A 19 7.924 -15.024 0.394 1.00 52.32 H new ATOM 0 HD1 PHE A 19 7.404 -11.361 -0.432 1.00 24.23 H new ATOM 0 HD2 PHE A 19 5.658 -15.084 0.860 1.00 20.33 H new ATOM 0 HE1 PHE A 19 5.175 -10.274 -0.295 1.00 44.43 H new ATOM 0 HE2 PHE A 19 3.454 -13.973 1.047 1.00 14.43 H new ATOM 0 HZ PHE A 19 3.204 -11.593 0.422 1.00 0.11 H new ATOM 280 N ASN A 20 9.995 -11.837 -0.613 1.00 75.02 N ATOM 281 CA ASN A 20 10.397 -10.558 -1.206 1.00 61.31 C ATOM 282 C ASN A 20 9.369 -10.204 -2.278 1.00 53.32 C ATOM 283 O ASN A 20 8.744 -11.117 -2.825 1.00 73.01 O ATOM 284 CB ASN A 20 11.798 -10.706 -1.817 1.00 60.02 C ATOM 285 CG ASN A 20 12.254 -9.432 -2.509 1.00 12.11 C ATOM 286 OD1 ASN A 20 12.329 -8.387 -1.891 1.00 21.32 O ATOM 287 ND2 ASN A 20 12.560 -9.479 -3.789 1.00 63.22 N ATOM 0 H ASN A 20 9.961 -12.594 -1.296 1.00 75.02 H new ATOM 0 HA ASN A 20 10.435 -9.766 -0.458 1.00 61.31 H new ATOM 0 HB2 ASN A 20 12.509 -10.968 -1.034 1.00 60.02 H new ATOM 0 HB3 ASN A 20 11.796 -11.527 -2.534 1.00 60.02 H new ATOM 0 HD21 ASN A 20 12.864 -8.634 -4.272 1.00 63.22 H new ATOM 0 HD22 ASN A 20 12.493 -10.361 -4.297 1.00 63.22 H new ATOM 293 N VAL A 21 9.182 -8.924 -2.598 1.00 61.20 N ATOM 294 CA VAL A 21 8.305 -8.499 -3.701 1.00 75.11 C ATOM 295 C VAL A 21 9.024 -7.448 -4.563 1.00 32.43 C ATOM 296 O VAL A 21 9.860 -6.709 -4.056 1.00 12.31 O ATOM 297 CB VAL A 21 6.955 -7.978 -3.163 1.00 35.01 C ATOM 298 CG1 VAL A 21 5.999 -9.061 -2.674 1.00 24.42 C ATOM 299 CG2 VAL A 21 7.133 -6.987 -2.004 1.00 44.10 C ATOM 0 H VAL A 21 9.630 -8.151 -2.105 1.00 61.20 H new ATOM 0 HA VAL A 21 8.083 -9.359 -4.332 1.00 75.11 H new ATOM 0 HB VAL A 21 6.518 -7.495 -4.037 1.00 35.01 H new ATOM 0 HG11 VAL A 21 5.079 -8.599 -2.315 1.00 24.42 H new ATOM 0 HG12 VAL A 21 5.768 -9.740 -3.495 1.00 24.42 H new ATOM 0 HG13 VAL A 21 6.466 -9.619 -1.862 1.00 24.42 H new ATOM 0 HG21 VAL A 21 6.155 -6.649 -1.661 1.00 44.10 H new ATOM 0 HG22 VAL A 21 7.657 -7.477 -1.183 1.00 44.10 H new ATOM 0 HG23 VAL A 21 7.714 -6.130 -2.344 1.00 44.10 H new ATOM 309 N LYS A 22 8.703 -7.350 -5.861 1.00 64.14 N ATOM 310 CA LYS A 22 9.543 -6.641 -6.848 1.00 31.41 C ATOM 311 C LYS A 22 8.785 -5.812 -7.881 1.00 13.34 C ATOM 312 O LYS A 22 9.324 -5.436 -8.918 1.00 62.22 O ATOM 313 CB LYS A 22 10.496 -7.649 -7.508 1.00 72.12 C ATOM 314 CG LYS A 22 9.812 -8.721 -8.382 1.00 42.13 C ATOM 315 CD LYS A 22 9.452 -10.038 -7.673 1.00 40.43 C ATOM 316 CE LYS A 22 8.385 -10.779 -8.493 1.00 0.14 C ATOM 317 NZ LYS A 22 8.776 -12.159 -8.877 1.00 12.15 N ATOM 0 H LYS A 22 7.857 -7.757 -6.259 1.00 64.14 H new ATOM 0 HA LYS A 22 10.106 -5.891 -6.293 1.00 31.41 H new ATOM 0 HB2 LYS A 22 11.209 -7.101 -8.124 1.00 72.12 H new ATOM 0 HB3 LYS A 22 11.068 -8.150 -6.727 1.00 72.12 H new ATOM 0 HG2 LYS A 22 8.900 -8.294 -8.799 1.00 42.13 H new ATOM 0 HG3 LYS A 22 10.469 -8.951 -9.221 1.00 42.13 H new ATOM 0 HD2 LYS A 22 10.340 -10.660 -7.563 1.00 40.43 H new ATOM 0 HD3 LYS A 22 9.079 -9.834 -6.669 1.00 40.43 H new ATOM 0 HE2 LYS A 22 7.461 -10.820 -7.916 1.00 0.14 H new ATOM 0 HE3 LYS A 22 8.172 -10.207 -9.396 1.00 0.14 H new ATOM 0 HZ1 LYS A 22 8.436 -12.361 -9.839 1.00 12.15 H new ATOM 0 HZ2 LYS A 22 9.812 -12.246 -8.850 1.00 12.15 H new ATOM 0 HZ3 LYS A 22 8.354 -12.837 -8.211 1.00 12.15 H new ATOM 327 N ASN A 23 7.497 -5.588 -7.654 1.00 40.21 N ATOM 328 CA ASN A 23 6.594 -5.087 -8.695 1.00 20.13 C ATOM 329 C ASN A 23 5.267 -4.626 -8.089 1.00 20.02 C ATOM 330 O ASN A 23 4.184 -5.008 -8.542 1.00 12.42 O ATOM 331 CB ASN A 23 6.365 -6.178 -9.774 1.00 21.25 C ATOM 332 CG ASN A 23 6.056 -7.546 -9.174 1.00 22.04 C ATOM 333 OD1 ASN A 23 6.579 -8.577 -9.569 1.00 75.24 O ATOM 334 ND2 ASN A 23 5.254 -7.604 -8.132 1.00 75.14 N ATOM 0 H ASN A 23 7.047 -5.745 -6.752 1.00 40.21 H new ATOM 0 HA ASN A 23 7.058 -4.223 -9.172 1.00 20.13 H new ATOM 0 HB2 ASN A 23 5.542 -5.876 -10.421 1.00 21.25 H new ATOM 0 HB3 ASN A 23 7.253 -6.254 -10.402 1.00 21.25 H new ATOM 0 HD21 ASN A 23 5.080 -8.497 -7.671 1.00 75.14 H new ATOM 0 HD22 ASN A 23 4.807 -6.756 -7.785 1.00 75.14 H new ATOM 340 N ILE A 24 5.330 -3.959 -6.942 1.00 4.34 N ATOM 341 CA ILE A 24 4.158 -3.731 -6.111 1.00 51.51 C ATOM 342 C ILE A 24 3.524 -2.446 -6.597 1.00 32.45 C ATOM 343 O ILE A 24 4.050 -1.365 -6.326 1.00 22.35 O ATOM 344 CB ILE A 24 4.520 -3.664 -4.617 1.00 15.44 C ATOM 345 CG1 ILE A 24 5.461 -4.813 -4.215 1.00 72.41 C ATOM 346 CG2 ILE A 24 3.238 -3.722 -3.782 1.00 63.34 C ATOM 347 CD1 ILE A 24 6.940 -4.406 -4.289 1.00 72.03 C ATOM 0 H ILE A 24 6.191 -3.564 -6.565 1.00 4.34 H new ATOM 0 HA ILE A 24 3.457 -4.561 -6.199 1.00 51.51 H new ATOM 0 HB ILE A 24 5.042 -2.726 -4.431 1.00 15.44 H new ATOM 0 HG12 ILE A 24 5.225 -5.135 -3.201 1.00 72.41 H new ATOM 0 HG13 ILE A 24 5.288 -5.667 -4.869 1.00 72.41 H new ATOM 0 HG21 ILE A 24 3.491 -3.675 -2.723 1.00 63.34 H new ATOM 0 HG22 ILE A 24 2.597 -2.879 -4.040 1.00 63.34 H new ATOM 0 HG23 ILE A 24 2.712 -4.654 -3.988 1.00 63.34 H new ATOM 0 HD11 ILE A 24 7.565 -5.250 -3.996 1.00 72.03 H new ATOM 0 HD12 ILE A 24 7.185 -4.110 -5.309 1.00 72.03 H new ATOM 0 HD13 ILE A 24 7.121 -3.569 -3.614 1.00 72.03 H new ATOM 358 N LYS A 25 2.434 -2.572 -7.345 1.00 3.34 N ATOM 359 CA LYS A 25 1.626 -1.433 -7.708 1.00 31.14 C ATOM 360 C LYS A 25 0.886 -0.995 -6.456 1.00 34.21 C ATOM 361 O LYS A 25 0.415 -1.818 -5.664 1.00 23.44 O ATOM 362 CB LYS A 25 0.619 -1.822 -8.797 1.00 2.21 C ATOM 363 CG LYS A 25 0.785 -1.034 -10.094 1.00 3.43 C ATOM 364 CD LYS A 25 -0.295 -1.365 -11.116 1.00 40.40 C ATOM 365 CE LYS A 25 -1.681 -1.071 -10.545 1.00 20.31 C ATOM 366 NZ LYS A 25 -2.752 -1.229 -11.545 1.00 52.34 N ATOM 0 H LYS A 25 2.095 -3.462 -7.710 1.00 3.34 H new ATOM 0 HA LYS A 25 2.249 -0.628 -8.098 1.00 31.14 H new ATOM 0 HB2 LYS A 25 0.722 -2.886 -9.012 1.00 2.21 H new ATOM 0 HB3 LYS A 25 -0.391 -1.671 -8.417 1.00 2.21 H new ATOM 0 HG2 LYS A 25 0.758 0.033 -9.874 1.00 3.43 H new ATOM 0 HG3 LYS A 25 1.764 -1.247 -10.522 1.00 3.43 H new ATOM 0 HD2 LYS A 25 -0.137 -0.781 -12.022 1.00 40.40 H new ATOM 0 HD3 LYS A 25 -0.227 -2.416 -11.398 1.00 40.40 H new ATOM 0 HE2 LYS A 25 -1.873 -1.738 -9.705 1.00 20.31 H new ATOM 0 HE3 LYS A 25 -1.701 -0.053 -10.155 1.00 20.31 H new ATOM 0 HZ1 LYS A 25 -3.649 -1.440 -11.063 1.00 52.34 H new ATOM 0 HZ2 LYS A 25 -2.850 -0.349 -12.090 1.00 52.34 H new ATOM 0 HZ3 LYS A 25 -2.513 -2.010 -12.189 1.00 52.34 H new ATOM 376 N VAL A 26 0.666 0.303 -6.352 1.00 42.30 N ATOM 377 CA VAL A 26 -0.345 0.843 -5.479 1.00 34.33 C ATOM 378 C VAL A 26 -1.098 1.898 -6.280 1.00 63.43 C ATOM 379 O VAL A 26 -0.517 2.624 -7.091 1.00 35.44 O ATOM 380 CB VAL A 26 0.332 1.352 -4.196 1.00 64.21 C ATOM 381 CG1 VAL A 26 1.277 2.525 -4.441 1.00 34.31 C ATOM 382 CG2 VAL A 26 -0.690 1.694 -3.110 1.00 62.12 C ATOM 0 H VAL A 26 1.187 1.008 -6.873 1.00 42.30 H new ATOM 0 HA VAL A 26 -1.078 0.109 -5.143 1.00 34.33 H new ATOM 0 HB VAL A 26 0.945 0.524 -3.839 1.00 64.21 H new ATOM 0 HG11 VAL A 26 1.722 2.837 -3.496 1.00 34.31 H new ATOM 0 HG12 VAL A 26 2.064 2.220 -5.130 1.00 34.31 H new ATOM 0 HG13 VAL A 26 0.720 3.357 -4.872 1.00 34.31 H new ATOM 0 HG21 VAL A 26 -0.170 2.050 -2.220 1.00 62.12 H new ATOM 0 HG22 VAL A 26 -1.361 2.472 -3.474 1.00 62.12 H new ATOM 0 HG23 VAL A 26 -1.268 0.804 -2.861 1.00 62.12 H new ATOM 392 N THR A 27 -2.396 1.969 -6.036 1.00 23.25 N ATOM 393 CA THR A 27 -3.286 3.009 -6.511 1.00 23.45 C ATOM 394 C THR A 27 -3.850 3.646 -5.238 1.00 55.21 C ATOM 395 O THR A 27 -4.054 2.938 -4.249 1.00 11.13 O ATOM 396 CB THR A 27 -4.399 2.384 -7.369 1.00 74.41 C ATOM 397 OG1 THR A 27 -3.964 1.220 -8.054 1.00 11.22 O ATOM 398 CG2 THR A 27 -4.991 3.396 -8.350 1.00 24.15 C ATOM 0 H THR A 27 -2.878 1.268 -5.474 1.00 23.25 H new ATOM 0 HA THR A 27 -2.788 3.748 -7.138 1.00 23.45 H new ATOM 0 HB THR A 27 -5.185 2.081 -6.677 1.00 74.41 H new ATOM 0 HG1 THR A 27 -3.906 0.472 -7.424 1.00 11.22 H new ATOM 0 HG21 THR A 27 -5.774 2.917 -8.938 1.00 24.15 H new ATOM 0 HG22 THR A 27 -5.414 4.234 -7.797 1.00 24.15 H new ATOM 0 HG23 THR A 27 -4.208 3.759 -9.015 1.00 24.15 H new ATOM 406 N TRP A 28 -4.069 4.959 -5.216 1.00 54.22 N ATOM 407 CA TRP A 28 -4.504 5.688 -4.014 1.00 75.21 C ATOM 408 C TRP A 28 -5.567 6.733 -4.333 1.00 53.02 C ATOM 409 O TRP A 28 -5.825 7.637 -3.542 1.00 33.45 O ATOM 410 CB TRP A 28 -3.288 6.354 -3.367 1.00 0.05 C ATOM 411 CG TRP A 28 -2.554 7.355 -4.199 1.00 0.32 C ATOM 412 CD1 TRP A 28 -2.741 8.694 -4.219 1.00 22.12 C ATOM 413 CD2 TRP A 28 -1.456 7.093 -5.105 1.00 34.23 C ATOM 414 NE1 TRP A 28 -1.780 9.275 -5.024 1.00 3.13 N ATOM 415 CE2 TRP A 28 -0.904 8.335 -5.526 1.00 63.24 C ATOM 416 CE3 TRP A 28 -0.850 5.910 -5.557 1.00 11.34 C ATOM 417 CZ2 TRP A 28 0.265 8.396 -6.294 1.00 14.14 C ATOM 418 CZ3 TRP A 28 0.346 5.956 -6.284 1.00 20.24 C ATOM 419 CH2 TRP A 28 0.898 7.197 -6.660 1.00 63.20 C ATOM 0 H TRP A 28 -3.950 5.556 -6.034 1.00 54.22 H new ATOM 0 HA TRP A 28 -4.953 4.973 -3.325 1.00 75.21 H new ATOM 0 HB2 TRP A 28 -3.616 6.846 -2.451 1.00 0.05 H new ATOM 0 HB3 TRP A 28 -2.586 5.573 -3.075 1.00 0.05 H new ATOM 0 HD1 TRP A 28 -3.518 9.225 -3.690 1.00 22.12 H new ATOM 0 HE1 TRP A 28 -1.725 10.274 -5.222 1.00 3.13 H new ATOM 0 HE3 TRP A 28 -1.310 4.957 -5.342 1.00 11.34 H new ATOM 0 HZ2 TRP A 28 0.673 9.348 -6.600 1.00 14.14 H new ATOM 0 HZ3 TRP A 28 0.846 5.039 -6.557 1.00 20.24 H new ATOM 0 HH2 TRP A 28 1.813 7.226 -7.233 1.00 63.20 H new ATOM 429 N ASN A 29 -6.112 6.685 -5.539 1.00 52.31 N ATOM 430 CA ASN A 29 -6.993 7.696 -6.101 1.00 42.04 C ATOM 431 C ASN A 29 -7.531 7.144 -7.411 1.00 3.33 C ATOM 432 O ASN A 29 -7.197 6.029 -7.811 1.00 61.31 O ATOM 433 CB ASN A 29 -6.257 9.037 -6.323 1.00 73.22 C ATOM 434 CG ASN A 29 -6.887 10.166 -5.522 1.00 72.50 C ATOM 435 OD1 ASN A 29 -7.599 11.002 -6.056 1.00 54.03 O ATOM 436 ND2 ASN A 29 -6.681 10.178 -4.213 1.00 33.41 N ATOM 0 H ASN A 29 -5.945 5.908 -6.179 1.00 52.31 H new ATOM 0 HA ASN A 29 -7.807 7.910 -5.409 1.00 42.04 H new ATOM 0 HB2 ASN A 29 -5.211 8.929 -6.038 1.00 73.22 H new ATOM 0 HB3 ASN A 29 -6.274 9.290 -7.383 1.00 73.22 H new ATOM 0 HD21 ASN A 29 -7.120 10.894 -3.634 1.00 33.41 H new ATOM 0 HD22 ASN A 29 -6.083 9.472 -3.784 1.00 33.41 H new ATOM 442 N ASP A 30 -8.370 7.916 -8.078 1.00 52.24 N ATOM 443 CA ASP A 30 -8.937 7.593 -9.372 1.00 51.32 C ATOM 444 C ASP A 30 -7.975 8.091 -10.451 1.00 0.13 C ATOM 445 O ASP A 30 -8.063 9.237 -10.892 1.00 51.43 O ATOM 446 CB ASP A 30 -10.317 8.252 -9.446 1.00 43.31 C ATOM 447 CG ASP A 30 -11.140 7.773 -10.631 1.00 10.34 C ATOM 448 OD1 ASP A 30 -11.203 6.543 -10.837 1.00 51.31 O ATOM 449 OD2 ASP A 30 -11.815 8.610 -11.272 1.00 11.44 O ATOM 0 H ASP A 30 -8.686 8.817 -7.719 1.00 52.24 H new ATOM 0 HA ASP A 30 -9.067 6.522 -9.524 1.00 51.32 H new ATOM 0 HB2 ASP A 30 -10.862 8.046 -8.525 1.00 43.31 H new ATOM 0 HB3 ASP A 30 -10.195 9.333 -9.509 1.00 43.31 H new ATOM 453 N GLY A 31 -6.973 7.283 -10.798 1.00 0.02 N ATOM 454 CA GLY A 31 -6.017 7.606 -11.860 1.00 1.44 C ATOM 455 C GLY A 31 -4.665 8.083 -11.332 1.00 62.24 C ATOM 456 O GLY A 31 -4.033 8.963 -11.932 1.00 44.11 O ATOM 0 H GLY A 31 -6.800 6.383 -10.350 1.00 0.02 H new ATOM 0 HA2 GLY A 31 -5.865 6.725 -12.483 1.00 1.44 H new ATOM 0 HA3 GLY A 31 -6.443 8.379 -12.500 1.00 1.44 H new ATOM 460 N LYS A 32 -4.230 7.561 -10.184 1.00 31.14 N ATOM 461 CA LYS A 32 -2.941 7.845 -9.578 1.00 2.24 C ATOM 462 C LYS A 32 -2.322 6.541 -9.111 1.00 23.34 C ATOM 463 O LYS A 32 -2.846 5.910 -8.190 1.00 51.00 O ATOM 464 CB LYS A 32 -3.114 8.849 -8.426 1.00 54.20 C ATOM 465 CG LYS A 32 -2.543 10.223 -8.780 1.00 74.10 C ATOM 466 CD LYS A 32 -1.018 10.233 -8.938 1.00 62.53 C ATOM 467 CE LYS A 32 -0.517 11.076 -10.120 1.00 23.25 C ATOM 468 NZ LYS A 32 -0.926 12.493 -10.057 1.00 74.52 N ATOM 0 H LYS A 32 -4.790 6.907 -9.637 1.00 31.14 H new ATOM 0 HA LYS A 32 -2.269 8.302 -10.304 1.00 2.24 H new ATOM 0 HB2 LYS A 32 -4.172 8.946 -8.185 1.00 54.20 H new ATOM 0 HB3 LYS A 32 -2.617 8.468 -7.534 1.00 54.20 H new ATOM 0 HG2 LYS A 32 -2.998 10.568 -9.708 1.00 74.10 H new ATOM 0 HG3 LYS A 32 -2.824 10.935 -8.004 1.00 74.10 H new ATOM 0 HD2 LYS A 32 -0.571 10.612 -8.019 1.00 62.53 H new ATOM 0 HD3 LYS A 32 -0.669 9.208 -9.063 1.00 62.53 H new ATOM 0 HE2 LYS A 32 0.571 11.023 -10.157 1.00 23.25 H new ATOM 0 HE3 LYS A 32 -0.889 10.641 -11.048 1.00 23.25 H new ATOM 0 HZ1 LYS A 32 -0.101 13.101 -10.236 1.00 74.52 H new ATOM 0 HZ2 LYS A 32 -1.654 12.677 -10.777 1.00 74.52 H new ATOM 0 HZ3 LYS A 32 -1.311 12.701 -9.114 1.00 74.52 H new ATOM 478 N GLU A 33 -1.232 6.151 -9.767 1.00 51.40 N ATOM 479 CA GLU A 33 -0.583 4.862 -9.611 1.00 11.35 C ATOM 480 C GLU A 33 0.929 5.045 -9.641 1.00 75.43 C ATOM 481 O GLU A 33 1.461 5.807 -10.460 1.00 13.24 O ATOM 482 CB GLU A 33 -0.998 3.956 -10.779 1.00 64.32 C ATOM 483 CG GLU A 33 -1.728 2.701 -10.337 1.00 1.05 C ATOM 484 CD GLU A 33 -2.566 2.171 -11.498 1.00 12.45 C ATOM 485 OE1 GLU A 33 -3.681 2.682 -11.729 1.00 72.14 O ATOM 486 OE2 GLU A 33 -2.077 1.267 -12.214 1.00 35.15 O ATOM 0 H GLU A 33 -0.763 6.750 -10.446 1.00 51.40 H new ATOM 0 HA GLU A 33 -0.877 4.415 -8.661 1.00 11.35 H new ATOM 0 HB2 GLU A 33 -1.638 4.520 -11.457 1.00 64.32 H new ATOM 0 HB3 GLU A 33 -0.109 3.671 -11.342 1.00 64.32 H new ATOM 0 HG2 GLU A 33 -1.013 1.945 -10.014 1.00 1.05 H new ATOM 0 HG3 GLU A 33 -2.367 2.920 -9.482 1.00 1.05 H new ATOM 491 N GLN A 34 1.630 4.294 -8.802 1.00 1.24 N ATOM 492 CA GLN A 34 3.079 4.140 -8.838 1.00 34.55 C ATOM 493 C GLN A 34 3.417 2.734 -8.373 1.00 71.12 C ATOM 494 O GLN A 34 2.541 2.002 -7.899 1.00 72.42 O ATOM 495 CB GLN A 34 3.793 5.241 -8.033 1.00 20.13 C ATOM 496 CG GLN A 34 3.799 5.086 -6.498 1.00 24.22 C ATOM 497 CD GLN A 34 5.181 4.689 -5.988 1.00 73.43 C ATOM 498 OE1 GLN A 34 6.155 5.405 -6.185 1.00 71.32 O ATOM 499 NE2 GLN A 34 5.316 3.529 -5.376 1.00 3.24 N ATOM 0 H GLN A 34 1.192 3.758 -8.053 1.00 1.24 H new ATOM 0 HA GLN A 34 3.446 4.265 -9.857 1.00 34.55 H new ATOM 0 HB2 GLN A 34 4.827 5.294 -8.373 1.00 20.13 H new ATOM 0 HB3 GLN A 34 3.328 6.196 -8.276 1.00 20.13 H new ATOM 0 HG2 GLN A 34 3.493 6.024 -6.034 1.00 24.22 H new ATOM 0 HG3 GLN A 34 3.069 4.332 -6.203 1.00 24.22 H new ATOM 0 HE21 GLN A 34 4.500 2.939 -5.216 1.00 3.24 H new ATOM 0 HE22 GLN A 34 6.237 3.222 -5.063 1.00 3.24 H new ATOM 506 N THR A 35 4.679 2.349 -8.506 1.00 35.12 N ATOM 507 CA THR A 35 5.104 1.002 -8.193 1.00 35.25 C ATOM 508 C THR A 35 6.338 1.090 -7.301 1.00 34.13 C ATOM 509 O THR A 35 7.166 1.993 -7.465 1.00 71.42 O ATOM 510 CB THR A 35 5.324 0.221 -9.499 1.00 75.31 C ATOM 511 OG1 THR A 35 6.431 0.775 -10.182 1.00 35.22 O ATOM 512 CG2 THR A 35 4.090 0.248 -10.409 1.00 14.44 C ATOM 0 H THR A 35 5.428 2.960 -8.832 1.00 35.12 H new ATOM 0 HA THR A 35 4.346 0.448 -7.639 1.00 35.25 H new ATOM 0 HB THR A 35 5.511 -0.821 -9.241 1.00 75.31 H new ATOM 0 HG1 THR A 35 6.581 0.283 -11.016 1.00 35.22 H new ATOM 0 HG21 THR A 35 4.296 -0.317 -11.318 1.00 14.44 H new ATOM 0 HG22 THR A 35 3.244 -0.199 -9.888 1.00 14.44 H new ATOM 0 HG23 THR A 35 3.852 1.279 -10.669 1.00 14.44 H new ATOM 520 N VAL A 36 6.470 0.169 -6.354 1.00 20.13 N ATOM 521 CA VAL A 36 7.705 0.011 -5.607 1.00 63.21 C ATOM 522 C VAL A 36 8.647 -0.794 -6.499 1.00 60.21 C ATOM 523 O VAL A 36 8.225 -1.783 -7.113 1.00 3.35 O ATOM 524 CB VAL A 36 7.427 -0.677 -4.261 1.00 15.03 C ATOM 525 CG1 VAL A 36 8.726 -0.995 -3.513 1.00 11.25 C ATOM 526 CG2 VAL A 36 6.530 0.193 -3.362 1.00 32.14 C ATOM 0 H VAL A 36 5.731 -0.481 -6.087 1.00 20.13 H new ATOM 0 HA VAL A 36 8.163 0.969 -5.360 1.00 63.21 H new ATOM 0 HB VAL A 36 6.911 -1.610 -4.488 1.00 15.03 H new ATOM 0 HG11 VAL A 36 8.491 -1.481 -2.566 1.00 11.25 H new ATOM 0 HG12 VAL A 36 9.341 -1.660 -4.119 1.00 11.25 H new ATOM 0 HG13 VAL A 36 9.271 -0.071 -3.321 1.00 11.25 H new ATOM 0 HG21 VAL A 36 6.352 -0.322 -2.418 1.00 32.14 H new ATOM 0 HG22 VAL A 36 7.023 1.146 -3.169 1.00 32.14 H new ATOM 0 HG23 VAL A 36 5.578 0.372 -3.862 1.00 32.14 H new ATOM 536 N ASN A 37 9.916 -0.383 -6.521 1.00 42.42 N ATOM 537 CA ASN A 37 11.028 -1.051 -7.184 1.00 15.34 C ATOM 538 C ASN A 37 11.087 -2.492 -6.688 1.00 73.31 C ATOM 539 O ASN A 37 10.646 -3.398 -7.386 1.00 72.21 O ATOM 540 CB ASN A 37 12.326 -0.258 -6.926 1.00 53.42 C ATOM 541 CG ASN A 37 13.587 -1.113 -6.935 1.00 1.45 C ATOM 542 OD1 ASN A 37 14.309 -1.149 -5.949 1.00 24.15 O ATOM 543 ND2 ASN A 37 13.844 -1.878 -7.978 1.00 51.52 N ATOM 0 H ASN A 37 10.207 0.473 -6.049 1.00 42.42 H new ATOM 0 HA ASN A 37 10.895 -1.083 -8.265 1.00 15.34 H new ATOM 0 HB2 ASN A 37 12.421 0.520 -7.684 1.00 53.42 H new ATOM 0 HB3 ASN A 37 12.247 0.245 -5.962 1.00 53.42 H new ATOM 0 HD21 ASN A 37 14.649 -2.504 -7.965 1.00 51.52 H new ATOM 0 HD22 ASN A 37 13.238 -1.843 -8.798 1.00 51.52 H new ATOM 549 N THR A 38 11.581 -2.709 -5.477 1.00 0.35 N ATOM 550 CA THR A 38 11.563 -3.971 -4.768 1.00 74.04 C ATOM 551 C THR A 38 11.345 -3.603 -3.297 1.00 41.11 C ATOM 552 O THR A 38 11.691 -2.492 -2.882 1.00 52.14 O ATOM 553 CB THR A 38 12.874 -4.736 -5.067 1.00 22.31 C ATOM 554 OG1 THR A 38 13.143 -4.798 -6.463 1.00 51.22 O ATOM 555 CG2 THR A 38 12.901 -6.174 -4.550 1.00 20.43 C ATOM 0 H THR A 38 12.028 -1.967 -4.938 1.00 0.35 H new ATOM 0 HA THR A 38 10.770 -4.653 -5.074 1.00 74.04 H new ATOM 0 HB THR A 38 13.630 -4.158 -4.536 1.00 22.31 H new ATOM 0 HG1 THR A 38 13.979 -5.287 -6.614 1.00 51.22 H new ATOM 0 HG21 THR A 38 13.856 -6.634 -4.804 1.00 20.43 H new ATOM 0 HG22 THR A 38 12.774 -6.174 -3.467 1.00 20.43 H new ATOM 0 HG23 THR A 38 12.092 -6.741 -5.010 1.00 20.43 H new ATOM 563 N LEU A 39 10.710 -4.491 -2.533 1.00 34.14 N ATOM 564 CA LEU A 39 10.495 -4.334 -1.106 1.00 35.13 C ATOM 565 C LEU A 39 11.027 -5.606 -0.463 1.00 31.43 C ATOM 566 O LEU A 39 10.437 -6.679 -0.631 1.00 0.33 O ATOM 567 CB LEU A 39 9.016 -4.087 -0.752 1.00 33.33 C ATOM 568 CG LEU A 39 8.758 -3.414 0.600 1.00 22.31 C ATOM 569 CD1 LEU A 39 9.672 -3.920 1.680 1.00 3.13 C ATOM 570 CD2 LEU A 39 8.977 -1.899 0.583 1.00 63.22 C ATOM 0 H LEU A 39 10.324 -5.359 -2.904 1.00 34.14 H new ATOM 0 HA LEU A 39 11.015 -3.451 -0.734 1.00 35.13 H new ATOM 0 HB2 LEU A 39 8.573 -3.470 -1.534 1.00 33.33 H new ATOM 0 HB3 LEU A 39 8.494 -5.044 -0.766 1.00 33.33 H new ATOM 0 HG LEU A 39 7.714 -3.657 0.798 1.00 22.31 H new ATOM 0 HD11 LEU A 39 9.446 -3.410 2.616 1.00 3.13 H new ATOM 0 HD12 LEU A 39 9.526 -4.993 1.807 1.00 3.13 H new ATOM 0 HD13 LEU A 39 10.708 -3.725 1.401 1.00 3.13 H new ATOM 0 HD21 LEU A 39 8.776 -1.491 1.574 1.00 63.22 H new ATOM 0 HD22 LEU A 39 10.009 -1.684 0.304 1.00 63.22 H new ATOM 0 HD23 LEU A 39 8.303 -1.442 -0.141 1.00 63.22 H new ATOM 581 N GLY A 40 12.131 -5.437 0.258 1.00 11.51 N ATOM 582 CA GLY A 40 12.906 -6.471 0.910 1.00 2.55 C ATOM 583 C GLY A 40 12.153 -7.258 1.980 1.00 14.15 C ATOM 584 O GLY A 40 10.976 -7.044 2.275 1.00 73.04 O ATOM 0 H GLY A 40 12.529 -4.510 0.408 1.00 11.51 H new ATOM 0 HA2 GLY A 40 13.266 -7.168 0.153 1.00 2.55 H new ATOM 0 HA3 GLY A 40 13.784 -6.014 1.366 1.00 2.55 H new ATOM 588 N SER A 41 12.856 -8.206 2.583 1.00 35.11 N ATOM 589 CA SER A 41 12.392 -8.997 3.709 1.00 72.32 C ATOM 590 C SER A 41 12.209 -8.079 4.915 1.00 73.32 C ATOM 591 O SER A 41 13.188 -7.497 5.377 1.00 42.51 O ATOM 592 CB SER A 41 13.407 -10.111 4.013 1.00 31.33 C ATOM 593 OG SER A 41 14.627 -9.981 3.283 1.00 71.43 O ATOM 0 H SER A 41 13.801 -8.453 2.289 1.00 35.11 H new ATOM 0 HA SER A 41 11.436 -9.465 3.473 1.00 72.32 H new ATOM 0 HB2 SER A 41 13.629 -10.109 5.080 1.00 31.33 H new ATOM 0 HB3 SER A 41 12.956 -11.076 3.783 1.00 31.33 H new ATOM 0 HG SER A 41 15.075 -9.148 3.541 1.00 71.43 H new ATOM 598 N HIS A 42 10.977 -7.963 5.420 1.00 60.00 N ATOM 599 CA HIS A 42 10.656 -7.123 6.570 1.00 22.01 C ATOM 600 C HIS A 42 11.102 -5.659 6.384 1.00 61.01 C ATOM 601 O HIS A 42 11.375 -4.959 7.360 1.00 12.53 O ATOM 602 CB HIS A 42 11.078 -7.817 7.884 1.00 20.25 C ATOM 603 CG HIS A 42 9.942 -8.563 8.560 1.00 11.41 C ATOM 604 ND1 HIS A 42 9.679 -8.579 9.913 1.00 60.02 N ATOM 605 CD2 HIS A 42 8.954 -9.288 7.949 1.00 34.34 C ATOM 606 CE1 HIS A 42 8.571 -9.307 10.117 1.00 11.44 C ATOM 607 NE2 HIS A 42 8.072 -9.731 8.943 1.00 23.43 N ATOM 0 H HIS A 42 10.170 -8.455 5.036 1.00 60.00 H new ATOM 0 HA HIS A 42 9.574 -7.019 6.650 1.00 22.01 H new ATOM 0 HB2 HIS A 42 11.888 -8.515 7.674 1.00 20.25 H new ATOM 0 HB3 HIS A 42 11.472 -7.069 8.572 1.00 20.25 H new ATOM 0 HD2 HIS A 42 8.870 -9.483 6.890 1.00 34.34 H new ATOM 0 HE1 HIS A 42 8.142 -9.521 11.085 1.00 11.44 H new ATOM 0 HE2 HIS A 42 7.218 -10.270 8.803 1.00 23.43 H new ATOM 614 N ASP A 43 11.145 -5.170 5.138 1.00 20.02 N ATOM 615 CA ASP A 43 11.539 -3.791 4.848 1.00 75.41 C ATOM 616 C ASP A 43 10.297 -2.895 4.897 1.00 1.15 C ATOM 617 O ASP A 43 9.166 -3.345 5.136 1.00 0.33 O ATOM 618 CB ASP A 43 12.247 -3.708 3.487 1.00 40.54 C ATOM 619 CG ASP A 43 13.740 -3.415 3.516 1.00 43.11 C ATOM 620 OD1 ASP A 43 14.553 -4.297 3.878 1.00 4.34 O ATOM 621 OD2 ASP A 43 14.104 -2.326 3.028 1.00 75.24 O ATOM 0 H ASP A 43 10.909 -5.717 4.310 1.00 20.02 H new ATOM 0 HA ASP A 43 12.248 -3.443 5.599 1.00 75.41 H new ATOM 0 HB2 ASP A 43 12.095 -4.653 2.965 1.00 40.54 H new ATOM 0 HB3 ASP A 43 11.759 -2.934 2.895 1.00 40.54 H new ATOM 625 N SER A 44 10.502 -1.618 4.586 1.00 31.35 N ATOM 626 CA SER A 44 9.445 -0.660 4.331 1.00 51.22 C ATOM 627 C SER A 44 9.903 0.367 3.292 1.00 32.15 C ATOM 628 O SER A 44 11.095 0.436 2.965 1.00 51.34 O ATOM 629 CB SER A 44 9.033 0.000 5.652 1.00 21.35 C ATOM 630 OG SER A 44 10.160 0.455 6.395 1.00 44.11 O ATOM 0 H SER A 44 11.436 -1.216 4.504 1.00 31.35 H new ATOM 0 HA SER A 44 8.572 -1.166 3.919 1.00 51.22 H new ATOM 0 HB2 SER A 44 8.371 0.841 5.446 1.00 21.35 H new ATOM 0 HB3 SER A 44 8.467 -0.712 6.252 1.00 21.35 H new ATOM 0 HG SER A 44 10.019 0.272 7.347 1.00 44.11 H new ATOM 635 N ILE A 45 8.990 1.228 2.843 1.00 43.21 N ATOM 636 CA ILE A 45 9.294 2.490 2.178 1.00 42.03 C ATOM 637 C ILE A 45 8.102 3.419 2.381 1.00 60.52 C ATOM 638 O ILE A 45 6.981 2.928 2.494 1.00 71.51 O ATOM 639 CB ILE A 45 9.623 2.244 0.689 1.00 12.44 C ATOM 640 CG1 ILE A 45 10.233 3.503 0.049 1.00 24.44 C ATOM 641 CG2 ILE A 45 8.440 1.690 -0.125 1.00 43.10 C ATOM 642 CD1 ILE A 45 11.078 3.193 -1.188 1.00 0.35 C ATOM 0 H ILE A 45 7.988 1.059 2.936 1.00 43.21 H new ATOM 0 HA ILE A 45 10.179 2.963 2.605 1.00 42.03 H new ATOM 0 HB ILE A 45 10.372 1.453 0.665 1.00 12.44 H new ATOM 0 HG12 ILE A 45 9.432 4.188 -0.227 1.00 24.44 H new ATOM 0 HG13 ILE A 45 10.851 4.016 0.786 1.00 24.44 H new ATOM 0 HG21 ILE A 45 8.748 1.543 -1.160 1.00 43.10 H new ATOM 0 HG22 ILE A 45 8.122 0.737 0.298 1.00 43.10 H new ATOM 0 HG23 ILE A 45 7.611 2.397 -0.090 1.00 43.10 H new ATOM 0 HD11 ILE A 45 11.481 4.120 -1.595 1.00 0.35 H new ATOM 0 HD12 ILE A 45 11.899 2.531 -0.912 1.00 0.35 H new ATOM 0 HD13 ILE A 45 10.457 2.707 -1.940 1.00 0.35 H new ATOM 653 N ASP A 46 8.317 4.731 2.365 1.00 12.24 N ATOM 654 CA ASP A 46 7.261 5.728 2.189 1.00 74.50 C ATOM 655 C ASP A 46 7.573 6.558 0.964 1.00 22.45 C ATOM 656 O ASP A 46 8.740 6.735 0.611 1.00 52.21 O ATOM 657 CB ASP A 46 6.986 6.636 3.407 1.00 32.45 C ATOM 658 CG ASP A 46 8.197 7.261 4.092 1.00 12.02 C ATOM 659 OD1 ASP A 46 8.896 8.118 3.507 1.00 14.14 O ATOM 660 OD2 ASP A 46 8.424 6.941 5.280 1.00 14.11 O ATOM 0 H ASP A 46 9.245 5.140 2.476 1.00 12.24 H new ATOM 0 HA ASP A 46 6.335 5.166 2.067 1.00 74.50 H new ATOM 0 HB2 ASP A 46 6.325 7.441 3.087 1.00 32.45 H new ATOM 0 HB3 ASP A 46 6.441 6.052 4.149 1.00 32.45 H new ATOM 664 N PHE A 47 6.519 7.023 0.304 1.00 32.44 N ATOM 665 CA PHE A 47 6.600 7.903 -0.853 1.00 1.41 C ATOM 666 C PHE A 47 5.438 8.894 -0.807 1.00 64.40 C ATOM 667 O PHE A 47 4.333 8.566 -0.357 1.00 62.41 O ATOM 668 CB PHE A 47 6.623 7.093 -2.166 1.00 75.12 C ATOM 669 CG PHE A 47 5.681 5.906 -2.213 1.00 44.40 C ATOM 670 CD1 PHE A 47 6.119 4.655 -1.734 1.00 0.33 C ATOM 671 CD2 PHE A 47 4.377 6.046 -2.720 1.00 72.50 C ATOM 672 CE1 PHE A 47 5.244 3.557 -1.719 1.00 21.13 C ATOM 673 CE2 PHE A 47 3.514 4.937 -2.733 1.00 0.14 C ATOM 674 CZ PHE A 47 3.935 3.704 -2.205 1.00 21.21 C ATOM 0 H PHE A 47 5.561 6.792 0.566 1.00 32.44 H new ATOM 0 HA PHE A 47 7.534 8.464 -0.822 1.00 1.41 H new ATOM 0 HB2 PHE A 47 6.378 7.762 -2.991 1.00 75.12 H new ATOM 0 HB3 PHE A 47 7.639 6.736 -2.336 1.00 75.12 H new ATOM 0 HD1 PHE A 47 7.132 4.540 -1.377 1.00 0.33 H new ATOM 0 HD2 PHE A 47 4.041 7.000 -3.097 1.00 72.50 H new ATOM 0 HE1 PHE A 47 5.576 2.604 -1.335 1.00 21.13 H new ATOM 0 HE2 PHE A 47 2.523 5.032 -3.151 1.00 0.14 H new ATOM 0 HZ PHE A 47 3.251 2.869 -2.173 1.00 21.21 H new ATOM 683 N SER A 48 5.684 10.112 -1.291 1.00 3.21 N ATOM 684 CA SER A 48 4.653 11.115 -1.434 1.00 12.11 C ATOM 685 C SER A 48 3.689 10.665 -2.520 1.00 15.11 C ATOM 686 O SER A 48 4.086 10.059 -3.524 1.00 71.33 O ATOM 687 CB SER A 48 5.276 12.463 -1.803 1.00 35.14 C ATOM 688 OG SER A 48 4.853 13.489 -0.934 1.00 52.03 O ATOM 0 H SER A 48 6.608 10.422 -1.592 1.00 3.21 H new ATOM 0 HA SER A 48 4.118 11.235 -0.492 1.00 12.11 H new ATOM 0 HB2 SER A 48 6.363 12.383 -1.770 1.00 35.14 H new ATOM 0 HB3 SER A 48 5.007 12.720 -2.827 1.00 35.14 H new ATOM 0 HG SER A 48 5.272 14.335 -1.198 1.00 52.03 H new ATOM 693 N SER A 49 2.432 11.038 -2.347 1.00 31.13 N ATOM 694 CA SER A 49 1.411 10.954 -3.370 1.00 33.14 C ATOM 695 C SER A 49 1.631 12.090 -4.386 1.00 44.41 C ATOM 696 O SER A 49 2.576 12.878 -4.295 1.00 41.33 O ATOM 697 CB SER A 49 0.048 11.046 -2.668 1.00 43.10 C ATOM 698 OG SER A 49 -0.171 12.355 -2.223 1.00 35.35 O ATOM 0 H SER A 49 2.087 11.418 -1.465 1.00 31.13 H new ATOM 0 HA SER A 49 1.454 10.015 -3.923 1.00 33.14 H new ATOM 0 HB2 SER A 49 -0.745 10.748 -3.354 1.00 43.10 H new ATOM 0 HB3 SER A 49 0.016 10.356 -1.825 1.00 43.10 H new ATOM 0 HG SER A 49 0.377 12.526 -1.429 1.00 35.35 H new ATOM 703 N ASP A 50 0.712 12.218 -5.335 1.00 13.05 N ATOM 704 CA ASP A 50 0.538 13.401 -6.168 1.00 14.02 C ATOM 705 C ASP A 50 -0.971 13.554 -6.305 1.00 20.25 C ATOM 706 O ASP A 50 -1.552 13.184 -7.326 1.00 73.30 O ATOM 707 CB ASP A 50 1.223 13.180 -7.513 1.00 35.11 C ATOM 708 CG ASP A 50 1.222 14.427 -8.404 1.00 60.12 C ATOM 709 OD1 ASP A 50 0.138 14.791 -8.910 1.00 24.53 O ATOM 710 OD2 ASP A 50 2.306 14.999 -8.657 1.00 20.55 O ATOM 0 H ASP A 50 0.046 11.477 -5.553 1.00 13.05 H new ATOM 0 HA ASP A 50 0.983 14.303 -5.747 1.00 14.02 H new ATOM 0 HB2 ASP A 50 2.252 12.865 -7.342 1.00 35.11 H new ATOM 0 HB3 ASP A 50 0.724 12.366 -8.038 1.00 35.11 H new ATOM 714 N ALA A 51 -1.637 13.885 -5.197 1.00 55.20 N ATOM 715 CA ALA A 51 -3.093 13.814 -5.122 1.00 74.20 C ATOM 716 C ALA A 51 -3.701 14.701 -4.029 1.00 42.32 C ATOM 717 O ALA A 51 -4.906 14.960 -4.046 1.00 15.33 O ATOM 718 CB ALA A 51 -3.467 12.343 -4.901 1.00 14.42 C ATOM 0 H ALA A 51 -1.188 14.205 -4.339 1.00 55.20 H new ATOM 0 HA ALA A 51 -3.506 14.198 -6.054 1.00 74.20 H new ATOM 0 HB1 ALA A 51 -4.551 12.249 -4.839 1.00 14.42 H new ATOM 0 HB2 ALA A 51 -3.097 11.745 -5.734 1.00 14.42 H new ATOM 0 HB3 ALA A 51 -3.019 11.989 -3.973 1.00 14.42 H new ATOM 724 N GLY A 52 -2.916 15.169 -3.057 1.00 3.10 N ATOM 725 CA GLY A 52 -3.387 16.064 -2.009 1.00 2.32 C ATOM 726 C GLY A 52 -4.184 15.361 -0.908 1.00 60.21 C ATOM 727 O GLY A 52 -4.060 15.742 0.256 1.00 40.03 O ATOM 0 H GLY A 52 -1.927 14.933 -2.978 1.00 3.10 H new ATOM 0 HA2 GLY A 52 -2.530 16.566 -1.560 1.00 2.32 H new ATOM 0 HA3 GLY A 52 -4.010 16.838 -2.458 1.00 2.32 H new ATOM 731 N SER A 53 -4.991 14.356 -1.248 1.00 74.53 N ATOM 732 CA SER A 53 -5.796 13.558 -0.336 1.00 43.33 C ATOM 733 C SER A 53 -5.898 12.124 -0.873 1.00 63.42 C ATOM 734 O SER A 53 -5.709 11.877 -2.068 1.00 75.40 O ATOM 735 CB SER A 53 -7.205 14.143 -0.237 1.00 0.21 C ATOM 736 OG SER A 53 -7.238 15.526 0.069 1.00 43.44 O ATOM 0 H SER A 53 -5.103 14.065 -2.219 1.00 74.53 H new ATOM 0 HA SER A 53 -5.327 13.562 0.648 1.00 43.33 H new ATOM 0 HB2 SER A 53 -7.722 13.979 -1.182 1.00 0.21 H new ATOM 0 HB3 SER A 53 -7.759 13.599 0.528 1.00 0.21 H new ATOM 0 HG SER A 53 -8.169 15.829 0.114 1.00 43.44 H new ATOM 741 N VAL A 54 -6.241 11.175 -0.007 1.00 75.20 N ATOM 742 CA VAL A 54 -6.625 9.811 -0.307 1.00 2.13 C ATOM 743 C VAL A 54 -7.618 9.318 0.748 1.00 63.50 C ATOM 744 O VAL A 54 -7.595 9.761 1.893 1.00 11.34 O ATOM 745 CB VAL A 54 -5.361 8.946 -0.518 1.00 23.51 C ATOM 746 CG1 VAL A 54 -4.199 9.129 0.459 1.00 12.13 C ATOM 747 CG2 VAL A 54 -5.687 7.444 -0.493 1.00 23.55 C ATOM 0 H VAL A 54 -6.257 11.360 0.996 1.00 75.20 H new ATOM 0 HA VAL A 54 -7.164 9.736 -1.251 1.00 2.13 H new ATOM 0 HB VAL A 54 -5.030 9.312 -1.490 1.00 23.51 H new ATOM 0 HG11 VAL A 54 -3.385 8.457 0.186 1.00 12.13 H new ATOM 0 HG12 VAL A 54 -3.848 10.160 0.418 1.00 12.13 H new ATOM 0 HG13 VAL A 54 -4.535 8.900 1.470 1.00 12.13 H new ATOM 0 HG21 VAL A 54 -4.773 6.871 -0.645 1.00 23.55 H new ATOM 0 HG22 VAL A 54 -6.124 7.182 0.471 1.00 23.55 H new ATOM 0 HG23 VAL A 54 -6.396 7.212 -1.287 1.00 23.55 H new ATOM 757 N TYR A 55 -8.494 8.396 0.332 1.00 64.13 N ATOM 758 CA TYR A 55 -9.415 7.640 1.174 1.00 13.12 C ATOM 759 C TYR A 55 -9.644 6.213 0.633 1.00 3.22 C ATOM 760 O TYR A 55 -10.597 5.542 1.025 1.00 11.33 O ATOM 761 CB TYR A 55 -10.732 8.420 1.343 1.00 72.53 C ATOM 762 CG TYR A 55 -11.316 9.101 0.111 1.00 54.33 C ATOM 763 CD1 TYR A 55 -11.372 8.447 -1.139 1.00 25.30 C ATOM 764 CD2 TYR A 55 -11.825 10.410 0.228 1.00 2.21 C ATOM 765 CE1 TYR A 55 -11.956 9.081 -2.246 1.00 44.23 C ATOM 766 CE2 TYR A 55 -12.403 11.055 -0.880 1.00 25.20 C ATOM 767 CZ TYR A 55 -12.470 10.387 -2.123 1.00 30.30 C ATOM 768 OH TYR A 55 -12.980 11.009 -3.214 1.00 12.10 O ATOM 0 H TYR A 55 -8.580 8.148 -0.654 1.00 64.13 H new ATOM 0 HA TYR A 55 -8.966 7.520 2.160 1.00 13.12 H new ATOM 0 HB2 TYR A 55 -11.482 7.731 1.732 1.00 72.53 H new ATOM 0 HB3 TYR A 55 -10.574 9.183 2.105 1.00 72.53 H new ATOM 0 HD1 TYR A 55 -10.963 7.453 -1.244 1.00 25.30 H new ATOM 0 HD2 TYR A 55 -11.771 10.922 1.177 1.00 2.21 H new ATOM 0 HE1 TYR A 55 -12.012 8.567 -3.194 1.00 44.23 H new ATOM 0 HE2 TYR A 55 -12.794 12.057 -0.781 1.00 25.20 H new ATOM 0 HH TYR A 55 -13.295 11.903 -2.964 1.00 12.10 H new ATOM 777 N LYS A 56 -8.824 5.728 -0.306 1.00 52.44 N ATOM 778 CA LYS A 56 -8.977 4.410 -0.928 1.00 10.03 C ATOM 779 C LYS A 56 -7.614 3.914 -1.391 1.00 4.24 C ATOM 780 O LYS A 56 -6.704 4.731 -1.537 1.00 13.02 O ATOM 781 CB LYS A 56 -9.985 4.489 -2.086 1.00 13.14 C ATOM 782 CG LYS A 56 -9.533 5.362 -3.270 1.00 25.33 C ATOM 783 CD LYS A 56 -10.650 5.433 -4.319 1.00 31.23 C ATOM 784 CE LYS A 56 -10.102 5.302 -5.743 1.00 73.10 C ATOM 785 NZ LYS A 56 -11.052 5.838 -6.734 1.00 3.43 N ATOM 0 H LYS A 56 -8.022 6.250 -0.660 1.00 52.44 H new ATOM 0 HA LYS A 56 -9.370 3.696 -0.205 1.00 10.03 H new ATOM 0 HB2 LYS A 56 -10.181 3.480 -2.449 1.00 13.14 H new ATOM 0 HB3 LYS A 56 -10.928 4.879 -1.703 1.00 13.14 H new ATOM 0 HG2 LYS A 56 -9.285 6.364 -2.921 1.00 25.33 H new ATOM 0 HG3 LYS A 56 -8.629 4.947 -3.716 1.00 25.33 H new ATOM 0 HD2 LYS A 56 -11.374 4.639 -4.134 1.00 31.23 H new ATOM 0 HD3 LYS A 56 -11.182 6.379 -4.220 1.00 31.23 H new ATOM 0 HE2 LYS A 56 -9.154 5.834 -5.820 1.00 73.10 H new ATOM 0 HE3 LYS A 56 -9.898 4.254 -5.961 1.00 73.10 H new ATOM 0 HZ1 LYS A 56 -10.653 5.735 -7.689 1.00 3.43 H new ATOM 0 HZ2 LYS A 56 -11.948 5.313 -6.675 1.00 3.43 H new ATOM 0 HZ3 LYS A 56 -11.227 6.844 -6.538 1.00 3.43 H new ATOM 795 N MET A 57 -7.435 2.606 -1.582 1.00 54.03 N ATOM 796 CA MET A 57 -6.125 2.061 -1.908 1.00 51.13 C ATOM 797 C MET A 57 -6.255 0.711 -2.616 1.00 52.31 C ATOM 798 O MET A 57 -6.453 -0.331 -1.983 1.00 21.44 O ATOM 799 CB MET A 57 -5.296 1.963 -0.616 1.00 33.33 C ATOM 800 CG MET A 57 -3.857 1.502 -0.859 1.00 33.23 C ATOM 801 SD MET A 57 -2.635 2.408 0.122 1.00 0.43 S ATOM 802 CE MET A 57 -2.576 3.936 -0.841 1.00 51.30 C ATOM 0 H MET A 57 -8.179 1.911 -1.516 1.00 54.03 H new ATOM 0 HA MET A 57 -5.609 2.723 -2.604 1.00 51.13 H new ATOM 0 HB2 MET A 57 -5.281 2.937 -0.126 1.00 33.33 H new ATOM 0 HB3 MET A 57 -5.783 1.269 0.069 1.00 33.33 H new ATOM 0 HG2 MET A 57 -3.780 0.439 -0.629 1.00 33.23 H new ATOM 0 HG3 MET A 57 -3.620 1.617 -1.917 1.00 33.23 H new ATOM 0 HE1 MET A 57 -2.479 4.787 -0.167 1.00 51.30 H new ATOM 0 HE2 MET A 57 -1.720 3.908 -1.516 1.00 51.30 H new ATOM 0 HE3 MET A 57 -3.493 4.036 -1.422 1.00 51.30 H new ATOM 810 N ASP A 58 -6.115 0.704 -3.939 1.00 32.25 N ATOM 811 CA ASP A 58 -6.119 -0.511 -4.747 1.00 51.14 C ATOM 812 C ASP A 58 -4.672 -0.968 -4.920 1.00 20.31 C ATOM 813 O ASP A 58 -3.971 -0.580 -5.857 1.00 21.12 O ATOM 814 CB ASP A 58 -6.864 -0.330 -6.080 1.00 1.05 C ATOM 815 CG ASP A 58 -8.379 -0.520 -5.968 1.00 25.32 C ATOM 816 OD1 ASP A 58 -9.003 -0.106 -4.980 1.00 42.03 O ATOM 817 OD2 ASP A 58 -8.978 -1.114 -6.902 1.00 30.15 O ATOM 0 H ASP A 58 -5.994 1.555 -4.488 1.00 32.25 H new ATOM 0 HA ASP A 58 -6.679 -1.294 -4.235 1.00 51.14 H new ATOM 0 HB2 ASP A 58 -6.659 0.668 -6.468 1.00 1.05 H new ATOM 0 HB3 ASP A 58 -6.470 -1.041 -6.806 1.00 1.05 H new ATOM 821 N VAL A 59 -4.214 -1.772 -3.963 1.00 13.24 N ATOM 822 CA VAL A 59 -2.931 -2.466 -4.002 1.00 64.50 C ATOM 823 C VAL A 59 -3.044 -3.676 -4.927 1.00 21.41 C ATOM 824 O VAL A 59 -4.068 -4.367 -4.900 1.00 11.41 O ATOM 825 CB VAL A 59 -2.553 -2.964 -2.591 1.00 55.13 C ATOM 826 CG1 VAL A 59 -1.091 -3.409 -2.603 1.00 44.31 C ATOM 827 CG2 VAL A 59 -2.763 -1.915 -1.490 1.00 60.22 C ATOM 0 H VAL A 59 -4.743 -1.964 -3.112 1.00 13.24 H new ATOM 0 HA VAL A 59 -2.168 -1.777 -4.363 1.00 64.50 H new ATOM 0 HB VAL A 59 -3.220 -3.793 -2.353 1.00 55.13 H new ATOM 0 HG11 VAL A 59 -0.810 -3.764 -1.611 1.00 44.31 H new ATOM 0 HG12 VAL A 59 -0.962 -4.214 -3.326 1.00 44.31 H new ATOM 0 HG13 VAL A 59 -0.457 -2.567 -2.880 1.00 44.31 H new ATOM 0 HG21 VAL A 59 -2.476 -2.336 -0.526 1.00 60.22 H new ATOM 0 HG22 VAL A 59 -2.149 -1.039 -1.700 1.00 60.22 H new ATOM 0 HG23 VAL A 59 -3.813 -1.624 -1.461 1.00 60.22 H new ATOM 837 N THR A 60 -1.979 -3.983 -5.668 1.00 11.24 N ATOM 838 CA THR A 60 -1.879 -5.180 -6.481 1.00 33.11 C ATOM 839 C THR A 60 -0.386 -5.417 -6.702 1.00 71.44 C ATOM 840 O THR A 60 0.342 -4.514 -7.109 1.00 32.31 O ATOM 841 CB THR A 60 -2.734 -5.026 -7.768 1.00 0.13 C ATOM 842 OG1 THR A 60 -2.390 -5.921 -8.819 1.00 55.31 O ATOM 843 CG2 THR A 60 -2.721 -3.620 -8.349 1.00 22.24 C ATOM 0 H THR A 60 -1.150 -3.391 -5.716 1.00 11.24 H new ATOM 0 HA THR A 60 -2.292 -6.069 -6.004 1.00 33.11 H new ATOM 0 HB THR A 60 -3.732 -5.270 -7.404 1.00 0.13 H new ATOM 0 HG1 THR A 60 -2.974 -5.761 -9.589 1.00 55.31 H new ATOM 0 HG21 THR A 60 -3.340 -3.591 -9.246 1.00 22.24 H new ATOM 0 HG22 THR A 60 -3.115 -2.919 -7.613 1.00 22.24 H new ATOM 0 HG23 THR A 60 -1.699 -3.341 -8.605 1.00 22.24 H new ATOM 851 N GLY A 61 0.097 -6.615 -6.392 1.00 55.41 N ATOM 852 CA GLY A 61 1.472 -6.986 -6.688 1.00 21.05 C ATOM 853 C GLY A 61 1.619 -8.490 -6.851 1.00 3.11 C ATOM 854 O GLY A 61 0.624 -9.224 -6.868 1.00 53.32 O ATOM 0 H GLY A 61 -0.447 -7.347 -5.934 1.00 55.41 H new ATOM 0 HA2 GLY A 61 1.797 -6.486 -7.601 1.00 21.05 H new ATOM 0 HA3 GLY A 61 2.124 -6.640 -5.886 1.00 21.05 H new ATOM 858 N THR A 62 2.873 -8.919 -6.979 1.00 40.41 N ATOM 859 CA THR A 62 3.300 -10.296 -7.183 1.00 63.10 C ATOM 860 C THR A 62 4.538 -10.559 -6.321 1.00 35.45 C ATOM 861 O THR A 62 5.408 -9.685 -6.226 1.00 2.42 O ATOM 862 CB THR A 62 3.600 -10.570 -8.670 1.00 2.32 C ATOM 863 OG1 THR A 62 2.775 -9.808 -9.534 1.00 53.40 O ATOM 864 CG2 THR A 62 3.443 -12.058 -8.972 1.00 23.31 C ATOM 0 H THR A 62 3.662 -8.274 -6.940 1.00 40.41 H new ATOM 0 HA THR A 62 2.497 -10.971 -6.887 1.00 63.10 H new ATOM 0 HB THR A 62 4.631 -10.266 -8.854 1.00 2.32 H new ATOM 0 HG1 THR A 62 3.001 -10.012 -10.466 1.00 53.40 H new ATOM 0 HG21 THR A 62 3.657 -12.240 -10.025 1.00 23.31 H new ATOM 0 HG22 THR A 62 4.138 -12.629 -8.356 1.00 23.31 H new ATOM 0 HG23 THR A 62 2.422 -12.368 -8.751 1.00 23.31 H new ATOM 872 N THR A 63 4.616 -11.703 -5.650 1.00 13.13 N ATOM 873 CA THR A 63 5.732 -12.084 -4.797 1.00 24.44 C ATOM 874 C THR A 63 6.925 -12.530 -5.631 1.00 44.40 C ATOM 875 O THR A 63 6.839 -12.675 -6.853 1.00 71.34 O ATOM 876 CB THR A 63 5.279 -13.154 -3.789 1.00 42.44 C ATOM 877 OG1 THR A 63 5.189 -14.415 -4.414 1.00 42.54 O ATOM 878 CG2 THR A 63 3.952 -12.812 -3.092 1.00 1.13 C ATOM 0 H THR A 63 3.882 -12.410 -5.687 1.00 13.13 H new ATOM 0 HA THR A 63 6.063 -11.217 -4.226 1.00 24.44 H new ATOM 0 HB THR A 63 6.042 -13.183 -3.011 1.00 42.44 H new ATOM 0 HG1 THR A 63 5.059 -15.109 -3.734 1.00 42.54 H new ATOM 0 HG21 THR A 63 3.691 -13.608 -2.395 1.00 1.13 H new ATOM 0 HG22 THR A 63 4.058 -11.874 -2.548 1.00 1.13 H new ATOM 0 HG23 THR A 63 3.164 -12.711 -3.839 1.00 1.13 H new ATOM 886 N GLN A 64 8.054 -12.766 -4.960 1.00 73.13 N ATOM 887 CA GLN A 64 9.221 -13.438 -5.491 1.00 0.41 C ATOM 888 C GLN A 64 8.770 -14.682 -6.257 1.00 20.25 C ATOM 889 O GLN A 64 9.110 -14.782 -7.430 1.00 22.22 O ATOM 890 CB GLN A 64 10.206 -13.699 -4.342 1.00 64.43 C ATOM 891 CG GLN A 64 11.441 -14.512 -4.754 1.00 54.14 C ATOM 892 CD GLN A 64 11.179 -16.010 -4.742 1.00 53.51 C ATOM 893 OE1 GLN A 64 11.112 -16.664 -5.775 1.00 24.42 O ATOM 894 NE2 GLN A 64 10.979 -16.573 -3.568 1.00 11.14 N ATOM 0 H GLN A 64 8.176 -12.477 -3.989 1.00 73.13 H new ATOM 0 HA GLN A 64 9.762 -12.827 -6.213 1.00 0.41 H new ATOM 0 HB2 GLN A 64 10.533 -12.743 -3.932 1.00 64.43 H new ATOM 0 HB3 GLN A 64 9.685 -14.227 -3.543 1.00 64.43 H new ATOM 0 HG2 GLN A 64 11.756 -14.209 -5.753 1.00 54.14 H new ATOM 0 HG3 GLN A 64 12.265 -14.284 -4.077 1.00 54.14 H new ATOM 0 HE21 GLN A 64 11.039 -16.013 -2.717 1.00 11.14 H new ATOM 0 HE22 GLN A 64 10.765 -17.568 -3.510 1.00 11.14 H new ATOM 901 N SER A 65 7.944 -15.529 -5.636 1.00 35.11 N ATOM 902 CA SER A 65 7.474 -16.786 -6.204 1.00 54.24 C ATOM 903 C SER A 65 6.171 -16.606 -6.998 1.00 75.31 C ATOM 904 O SER A 65 5.305 -17.481 -7.006 1.00 0.24 O ATOM 905 CB SER A 65 7.388 -17.857 -5.107 1.00 62.44 C ATOM 906 OG SER A 65 7.943 -19.066 -5.601 1.00 51.50 O ATOM 0 H SER A 65 7.577 -15.351 -4.701 1.00 35.11 H new ATOM 0 HA SER A 65 8.200 -17.138 -6.937 1.00 54.24 H new ATOM 0 HB2 SER A 65 7.927 -17.530 -4.218 1.00 62.44 H new ATOM 0 HB3 SER A 65 6.350 -18.012 -4.812 1.00 62.44 H new ATOM 0 HG SER A 65 7.894 -19.756 -4.907 1.00 51.50 H new ATOM 911 N GLY A 66 6.017 -15.472 -7.689 1.00 0.34 N ATOM 912 CA GLY A 66 5.016 -15.291 -8.735 1.00 3.51 C ATOM 913 C GLY A 66 3.565 -15.282 -8.259 1.00 3.13 C ATOM 914 O GLY A 66 2.661 -15.208 -9.086 1.00 22.34 O ATOM 0 H GLY A 66 6.594 -14.645 -7.532 1.00 0.34 H new ATOM 0 HA2 GLY A 66 5.218 -14.351 -9.249 1.00 3.51 H new ATOM 0 HA3 GLY A 66 5.135 -16.088 -9.470 1.00 3.51 H new ATOM 918 N GLU A 67 3.306 -15.316 -6.961 1.00 24.05 N ATOM 919 CA GLU A 67 1.977 -15.336 -6.387 1.00 4.21 C ATOM 920 C GLU A 67 1.453 -13.917 -6.299 1.00 13.44 C ATOM 921 O GLU A 67 2.181 -13.008 -5.907 1.00 64.43 O ATOM 922 CB GLU A 67 2.094 -16.000 -5.006 1.00 44.31 C ATOM 923 CG GLU A 67 2.033 -17.530 -5.096 1.00 24.03 C ATOM 924 CD GLU A 67 2.390 -18.192 -3.757 1.00 24.05 C ATOM 925 OE1 GLU A 67 3.309 -17.693 -3.070 1.00 54.10 O ATOM 926 OE2 GLU A 67 1.751 -19.185 -3.340 1.00 32.13 O ATOM 0 H GLU A 67 4.044 -15.331 -6.257 1.00 24.05 H new ATOM 0 HA GLU A 67 1.271 -15.900 -6.997 1.00 4.21 H new ATOM 0 HB2 GLU A 67 3.033 -15.702 -4.539 1.00 44.31 H new ATOM 0 HB3 GLU A 67 1.290 -15.642 -4.363 1.00 44.31 H new ATOM 0 HG2 GLU A 67 1.032 -17.837 -5.398 1.00 24.03 H new ATOM 0 HG3 GLU A 67 2.720 -17.877 -5.868 1.00 24.03 H new ATOM 931 N LYS A 68 0.212 -13.677 -6.706 1.00 3.52 N ATOM 932 CA LYS A 68 -0.286 -12.349 -6.875 1.00 42.24 C ATOM 933 C LYS A 68 -1.358 -12.100 -5.840 1.00 31.03 C ATOM 934 O LYS A 68 -2.270 -12.908 -5.650 1.00 63.20 O ATOM 935 CB LYS A 68 -0.774 -12.161 -8.308 1.00 14.44 C ATOM 936 CG LYS A 68 -2.276 -12.305 -8.624 1.00 40.10 C ATOM 937 CD LYS A 68 -2.678 -11.701 -9.984 1.00 4.15 C ATOM 938 CE LYS A 68 -4.060 -11.022 -9.955 1.00 13.23 C ATOM 939 NZ LYS A 68 -5.136 -11.901 -9.448 1.00 44.53 N ATOM 0 H LYS A 68 -0.464 -14.409 -6.924 1.00 3.52 H new ATOM 0 HA LYS A 68 0.499 -11.609 -6.718 1.00 42.24 H new ATOM 0 HB2 LYS A 68 -0.467 -11.166 -8.630 1.00 14.44 H new ATOM 0 HB3 LYS A 68 -0.239 -12.877 -8.932 1.00 14.44 H new ATOM 0 HG2 LYS A 68 -2.542 -13.362 -8.612 1.00 40.10 H new ATOM 0 HG3 LYS A 68 -2.853 -11.822 -7.836 1.00 40.10 H new ATOM 0 HD2 LYS A 68 -1.927 -10.972 -10.288 1.00 4.15 H new ATOM 0 HD3 LYS A 68 -2.681 -12.488 -10.738 1.00 4.15 H new ATOM 0 HE2 LYS A 68 -4.005 -10.130 -9.331 1.00 13.23 H new ATOM 0 HE3 LYS A 68 -4.315 -10.691 -10.962 1.00 13.23 H new ATOM 0 HZ1 LYS A 68 -6.051 -11.414 -9.533 1.00 44.53 H new ATOM 0 HZ2 LYS A 68 -5.158 -12.779 -10.004 1.00 44.53 H new ATOM 0 HZ3 LYS A 68 -4.957 -12.128 -8.449 1.00 44.53 H new ATOM 949 N PHE A 69 -1.280 -10.921 -5.267 1.00 44.54 N ATOM 950 CA PHE A 69 -2.048 -10.464 -4.133 1.00 44.14 C ATOM 951 C PHE A 69 -2.733 -9.163 -4.523 1.00 62.41 C ATOM 952 O PHE A 69 -2.171 -8.396 -5.321 1.00 20.02 O ATOM 953 CB PHE A 69 -1.101 -10.290 -2.942 1.00 60.21 C ATOM 954 CG PHE A 69 0.125 -9.422 -3.198 1.00 2.44 C ATOM 955 CD1 PHE A 69 1.323 -10.001 -3.667 1.00 41.43 C ATOM 956 CD2 PHE A 69 0.094 -8.043 -2.908 1.00 31.14 C ATOM 957 CE1 PHE A 69 2.479 -9.210 -3.803 1.00 64.03 C ATOM 958 CE2 PHE A 69 1.252 -7.255 -3.053 1.00 23.05 C ATOM 959 CZ PHE A 69 2.452 -7.841 -3.490 1.00 75.34 C ATOM 0 H PHE A 69 -0.634 -10.208 -5.605 1.00 44.54 H new ATOM 0 HA PHE A 69 -2.817 -11.180 -3.843 1.00 44.14 H new ATOM 0 HB2 PHE A 69 -1.663 -9.859 -2.114 1.00 60.21 H new ATOM 0 HB3 PHE A 69 -0.765 -11.276 -2.620 1.00 60.21 H new ATOM 0 HD1 PHE A 69 1.353 -11.050 -3.921 1.00 41.43 H new ATOM 0 HD2 PHE A 69 -0.825 -7.587 -2.572 1.00 31.14 H new ATOM 0 HE1 PHE A 69 3.397 -9.660 -4.152 1.00 64.03 H new ATOM 0 HE2 PHE A 69 1.218 -6.199 -2.828 1.00 23.05 H new ATOM 0 HZ PHE A 69 3.347 -7.243 -3.584 1.00 75.34 H new ATOM 968 N THR A 70 -3.919 -8.896 -3.983 1.00 34.14 N ATOM 969 CA THR A 70 -4.611 -7.625 -4.180 1.00 34.01 C ATOM 970 C THR A 70 -5.397 -7.199 -2.948 1.00 25.21 C ATOM 971 O THR A 70 -5.947 -8.037 -2.240 1.00 21.11 O ATOM 972 CB THR A 70 -5.568 -7.674 -5.378 1.00 43.12 C ATOM 973 OG1 THR A 70 -6.456 -8.776 -5.363 1.00 30.34 O ATOM 974 CG2 THR A 70 -4.847 -7.772 -6.713 1.00 71.43 C ATOM 0 H THR A 70 -4.428 -9.556 -3.395 1.00 34.14 H new ATOM 0 HA THR A 70 -3.827 -6.893 -4.372 1.00 34.01 H new ATOM 0 HB THR A 70 -6.113 -6.735 -5.278 1.00 43.12 H new ATOM 0 HG1 THR A 70 -7.035 -8.741 -6.153 1.00 30.34 H new ATOM 0 HG21 THR A 70 -5.579 -7.803 -7.520 1.00 71.43 H new ATOM 0 HG22 THR A 70 -4.201 -6.904 -6.842 1.00 71.43 H new ATOM 0 HG23 THR A 70 -4.244 -8.680 -6.735 1.00 71.43 H new ATOM 982 N GLY A 71 -5.489 -5.884 -2.737 1.00 54.31 N ATOM 983 CA GLY A 71 -6.237 -5.307 -1.626 1.00 34.04 C ATOM 984 C GLY A 71 -7.603 -4.820 -2.072 1.00 30.02 C ATOM 985 O GLY A 71 -8.588 -5.540 -1.990 1.00 3.24 O ATOM 0 H GLY A 71 -5.044 -5.189 -3.337 1.00 54.31 H new ATOM 0 HA2 GLY A 71 -6.354 -6.051 -0.838 1.00 34.04 H new ATOM 0 HA3 GLY A 71 -5.675 -4.477 -1.199 1.00 34.04 H new ATOM 989 N HIS A 72 -7.638 -3.607 -2.622 1.00 50.40 N ATOM 990 CA HIS A 72 -8.819 -2.865 -3.051 1.00 43.22 C ATOM 991 C HIS A 72 -9.635 -2.348 -1.860 1.00 72.50 C ATOM 992 O HIS A 72 -10.775 -2.746 -1.623 1.00 70.30 O ATOM 993 CB HIS A 72 -9.689 -3.636 -4.063 1.00 10.34 C ATOM 994 CG HIS A 72 -8.967 -4.344 -5.182 1.00 12.51 C ATOM 995 ND1 HIS A 72 -8.554 -3.809 -6.384 1.00 33.02 N ATOM 996 CD2 HIS A 72 -8.758 -5.693 -5.234 1.00 70.00 C ATOM 997 CE1 HIS A 72 -8.106 -4.821 -7.142 1.00 1.21 C ATOM 998 NE2 HIS A 72 -8.244 -5.996 -6.500 1.00 65.01 N ATOM 0 H HIS A 72 -6.780 -3.081 -2.791 1.00 50.40 H new ATOM 0 HA HIS A 72 -8.446 -1.993 -3.589 1.00 43.22 H new ATOM 0 HB2 HIS A 72 -10.273 -4.375 -3.515 1.00 10.34 H new ATOM 0 HB3 HIS A 72 -10.397 -2.935 -4.506 1.00 10.34 H new ATOM 0 HD1 HIS A 72 -8.584 -2.824 -6.648 1.00 33.02 H new ATOM 0 HD2 HIS A 72 -8.954 -6.399 -4.441 1.00 70.00 H new ATOM 0 HE1 HIS A 72 -7.691 -4.708 -8.133 1.00 1.21 H new ATOM 1005 N PHE A 73 -9.042 -1.406 -1.123 1.00 41.31 N ATOM 1006 CA PHE A 73 -9.663 -0.800 0.044 1.00 45.33 C ATOM 1007 C PHE A 73 -10.336 0.507 -0.335 1.00 63.12 C ATOM 1008 O PHE A 73 -9.920 1.177 -1.282 1.00 21.25 O ATOM 1009 CB PHE A 73 -8.599 -0.539 1.096 1.00 12.41 C ATOM 1010 CG PHE A 73 -7.819 -1.778 1.453 1.00 44.33 C ATOM 1011 CD1 PHE A 73 -8.418 -2.806 2.204 1.00 44.30 C ATOM 1012 CD2 PHE A 73 -6.494 -1.905 1.009 1.00 71.43 C ATOM 1013 CE1 PHE A 73 -7.676 -3.955 2.530 1.00 33.32 C ATOM 1014 CE2 PHE A 73 -5.750 -3.034 1.364 1.00 41.12 C ATOM 1015 CZ PHE A 73 -6.341 -4.065 2.115 1.00 12.14 C ATOM 0 H PHE A 73 -8.110 -1.044 -1.326 1.00 41.31 H new ATOM 0 HA PHE A 73 -10.418 -1.479 0.440 1.00 45.33 H new ATOM 0 HB2 PHE A 73 -7.913 0.225 0.731 1.00 12.41 H new ATOM 0 HB3 PHE A 73 -9.071 -0.141 1.994 1.00 12.41 H new ATOM 0 HD1 PHE A 73 -9.444 -2.713 2.529 1.00 44.30 H new ATOM 0 HD2 PHE A 73 -6.051 -1.134 0.396 1.00 71.43 H new ATOM 0 HE1 PHE A 73 -8.133 -4.751 3.099 1.00 33.32 H new ATOM 0 HE2 PHE A 73 -4.717 -3.115 1.060 1.00 41.12 H new ATOM 0 HZ PHE A 73 -5.766 -4.942 2.373 1.00 12.14 H new ATOM 1024 N LYS A 74 -11.360 0.882 0.421 1.00 34.14 N ATOM 1025 CA LYS A 74 -12.198 2.060 0.228 1.00 54.44 C ATOM 1026 C LYS A 74 -12.588 2.614 1.602 1.00 65.44 C ATOM 1027 O LYS A 74 -12.434 1.918 2.611 1.00 51.24 O ATOM 1028 CB LYS A 74 -13.450 1.670 -0.590 1.00 52.33 C ATOM 1029 CG LYS A 74 -13.187 1.445 -2.093 1.00 53.21 C ATOM 1030 CD LYS A 74 -12.840 -0.007 -2.466 1.00 45.24 C ATOM 1031 CE LYS A 74 -11.840 -0.094 -3.634 1.00 25.54 C ATOM 1032 NZ LYS A 74 -12.449 0.198 -4.948 1.00 52.11 N ATOM 0 H LYS A 74 -11.646 0.339 1.236 1.00 34.14 H new ATOM 0 HA LYS A 74 -11.658 2.830 -0.323 1.00 54.44 H new ATOM 0 HB2 LYS A 74 -13.875 0.759 -0.168 1.00 52.33 H new ATOM 0 HB3 LYS A 74 -14.200 2.453 -0.478 1.00 52.33 H new ATOM 0 HG2 LYS A 74 -14.070 1.750 -2.654 1.00 53.21 H new ATOM 0 HG3 LYS A 74 -12.370 2.094 -2.408 1.00 53.21 H new ATOM 0 HD2 LYS A 74 -12.421 -0.512 -1.595 1.00 45.24 H new ATOM 0 HD3 LYS A 74 -13.753 -0.538 -2.734 1.00 45.24 H new ATOM 0 HE2 LYS A 74 -11.023 0.605 -3.457 1.00 25.54 H new ATOM 0 HE3 LYS A 74 -11.405 -1.093 -3.657 1.00 25.54 H new ATOM 0 HZ1 LYS A 74 -11.725 0.123 -5.691 1.00 52.11 H new ATOM 0 HZ2 LYS A 74 -13.211 -0.484 -5.137 1.00 52.11 H new ATOM 0 HZ3 LYS A 74 -12.841 1.161 -4.943 1.00 52.11 H new ATOM 1042 N GLY A 75 -13.117 3.834 1.655 1.00 3.11 N ATOM 1043 CA GLY A 75 -13.716 4.389 2.867 1.00 2.23 C ATOM 1044 C GLY A 75 -12.708 4.670 3.981 1.00 53.40 C ATOM 1045 O GLY A 75 -13.087 4.691 5.155 1.00 33.41 O ATOM 0 H GLY A 75 -13.143 4.468 0.856 1.00 3.11 H new ATOM 0 HA2 GLY A 75 -14.232 5.315 2.615 1.00 2.23 H new ATOM 0 HA3 GLY A 75 -14.470 3.695 3.239 1.00 2.23 H new ATOM 1049 N LEU A 76 -11.435 4.845 3.631 1.00 25.34 N ATOM 1050 CA LEU A 76 -10.350 5.121 4.562 1.00 45.04 C ATOM 1051 C LEU A 76 -10.444 6.567 5.056 1.00 53.31 C ATOM 1052 O LEU A 76 -11.288 7.352 4.603 1.00 24.13 O ATOM 1053 CB LEU A 76 -8.979 4.838 3.911 1.00 64.31 C ATOM 1054 CG LEU A 76 -8.845 3.487 3.180 1.00 72.44 C ATOM 1055 CD1 LEU A 76 -7.452 3.370 2.548 1.00 2.24 C ATOM 1056 CD2 LEU A 76 -9.079 2.309 4.125 1.00 11.25 C ATOM 0 H LEU A 76 -11.124 4.796 2.661 1.00 25.34 H new ATOM 0 HA LEU A 76 -10.445 4.456 5.421 1.00 45.04 H new ATOM 0 HB2 LEU A 76 -8.765 5.636 3.200 1.00 64.31 H new ATOM 0 HB3 LEU A 76 -8.214 4.887 4.686 1.00 64.31 H new ATOM 0 HG LEU A 76 -9.608 3.454 2.402 1.00 72.44 H new ATOM 0 HD11 LEU A 76 -7.365 2.413 2.034 1.00 2.24 H new ATOM 0 HD12 LEU A 76 -7.307 4.180 1.834 1.00 2.24 H new ATOM 0 HD13 LEU A 76 -6.692 3.433 3.327 1.00 2.24 H new ATOM 0 HD21 LEU A 76 -8.976 1.374 3.574 1.00 11.25 H new ATOM 0 HD22 LEU A 76 -8.345 2.338 4.931 1.00 11.25 H new ATOM 0 HD23 LEU A 76 -10.083 2.374 4.546 1.00 11.25 H new ATOM 1067 N VAL A 77 -9.569 6.921 5.993 1.00 32.15 N ATOM 1068 CA VAL A 77 -9.628 8.161 6.763 1.00 13.24 C ATOM 1069 C VAL A 77 -8.208 8.768 6.819 1.00 30.50 C ATOM 1070 O VAL A 77 -7.260 8.148 6.325 1.00 43.02 O ATOM 1071 CB VAL A 77 -10.246 7.841 8.155 1.00 72.34 C ATOM 1072 CG1 VAL A 77 -10.789 9.109 8.822 1.00 54.24 C ATOM 1073 CG2 VAL A 77 -11.419 6.840 8.105 1.00 50.02 C ATOM 0 H VAL A 77 -8.774 6.334 6.246 1.00 32.15 H new ATOM 0 HA VAL A 77 -10.268 8.914 6.304 1.00 13.24 H new ATOM 0 HB VAL A 77 -9.423 7.400 8.718 1.00 72.34 H new ATOM 0 HG11 VAL A 77 -11.215 8.856 9.793 1.00 54.24 H new ATOM 0 HG12 VAL A 77 -9.978 9.825 8.957 1.00 54.24 H new ATOM 0 HG13 VAL A 77 -11.561 9.550 8.191 1.00 54.24 H new ATOM 0 HG21 VAL A 77 -11.795 6.669 9.114 1.00 50.02 H new ATOM 0 HG22 VAL A 77 -12.218 7.246 7.484 1.00 50.02 H new ATOM 0 HG23 VAL A 77 -11.074 5.897 7.682 1.00 50.02 H new ATOM 1083 N GLY A 78 -8.020 9.950 7.406 1.00 13.24 N ATOM 1084 CA GLY A 78 -6.702 10.527 7.673 1.00 21.50 C ATOM 1085 C GLY A 78 -6.094 11.189 6.440 1.00 0.10 C ATOM 1086 O GLY A 78 -6.753 11.304 5.399 1.00 74.14 O ATOM 0 H GLY A 78 -8.791 10.543 7.714 1.00 13.24 H new ATOM 0 HA2 GLY A 78 -6.786 11.263 8.472 1.00 21.50 H new ATOM 0 HA3 GLY A 78 -6.032 9.745 8.029 1.00 21.50 H new ATOM 1090 N LYS A 79 -4.837 11.637 6.548 1.00 0.01 N ATOM 1091 CA LYS A 79 -4.073 12.292 5.478 1.00 1.04 C ATOM 1092 C LYS A 79 -2.757 11.543 5.214 1.00 63.31 C ATOM 1093 O LYS A 79 -1.732 12.152 4.895 1.00 34.54 O ATOM 1094 CB LYS A 79 -3.884 13.782 5.828 1.00 75.34 C ATOM 1095 CG LYS A 79 -4.218 14.719 4.664 1.00 55.44 C ATOM 1096 CD LYS A 79 -3.699 16.144 4.939 1.00 71.22 C ATOM 1097 CE LYS A 79 -2.471 16.494 4.096 1.00 43.45 C ATOM 1098 NZ LYS A 79 -2.853 16.781 2.699 1.00 2.24 N ATOM 0 H LYS A 79 -4.305 11.550 7.414 1.00 0.01 H new ATOM 0 HA LYS A 79 -4.623 12.252 4.538 1.00 1.04 H new ATOM 0 HB2 LYS A 79 -4.516 14.032 6.681 1.00 75.34 H new ATOM 0 HB3 LYS A 79 -2.852 13.949 6.136 1.00 75.34 H new ATOM 0 HG2 LYS A 79 -3.773 14.337 3.745 1.00 55.44 H new ATOM 0 HG3 LYS A 79 -5.297 14.744 4.510 1.00 55.44 H new ATOM 0 HD2 LYS A 79 -4.493 16.862 4.734 1.00 71.22 H new ATOM 0 HD3 LYS A 79 -3.449 16.238 5.996 1.00 71.22 H new ATOM 0 HE2 LYS A 79 -1.966 17.360 4.524 1.00 43.45 H new ATOM 0 HE3 LYS A 79 -1.761 15.667 4.120 1.00 43.45 H new ATOM 0 HZ1 LYS A 79 -2.077 17.285 2.224 1.00 2.24 H new ATOM 0 HZ2 LYS A 79 -3.042 15.888 2.200 1.00 2.24 H new ATOM 0 HZ3 LYS A 79 -3.709 17.372 2.688 1.00 2.24 H new ATOM 1108 N ASP A 80 -2.742 10.232 5.426 1.00 40.14 N ATOM 1109 CA ASP A 80 -1.629 9.328 5.137 1.00 75.11 C ATOM 1110 C ASP A 80 -2.200 7.924 5.004 1.00 42.12 C ATOM 1111 O ASP A 80 -3.254 7.621 5.584 1.00 52.24 O ATOM 1112 CB ASP A 80 -0.627 9.323 6.293 1.00 62.40 C ATOM 1113 CG ASP A 80 0.642 8.500 6.060 1.00 21.25 C ATOM 1114 OD1 ASP A 80 0.989 8.207 4.902 1.00 42.10 O ATOM 1115 OD2 ASP A 80 1.240 8.075 7.075 1.00 43.11 O ATOM 0 H ASP A 80 -3.545 9.744 5.824 1.00 40.14 H new ATOM 0 HA ASP A 80 -1.123 9.652 4.227 1.00 75.11 H new ATOM 0 HB2 ASP A 80 -0.338 10.352 6.505 1.00 62.40 H new ATOM 0 HB3 ASP A 80 -1.128 8.943 7.183 1.00 62.40 H new ATOM 1119 N THR A 81 -1.477 7.037 4.340 1.00 42.32 N ATOM 1120 CA THR A 81 -1.899 5.666 4.098 1.00 22.45 C ATOM 1121 C THR A 81 -0.783 4.691 4.464 1.00 32.32 C ATOM 1122 O THR A 81 0.404 5.016 4.414 1.00 12.34 O ATOM 1123 CB THR A 81 -2.381 5.492 2.641 1.00 24.52 C ATOM 1124 OG1 THR A 81 -2.437 6.706 1.916 1.00 23.11 O ATOM 1125 CG2 THR A 81 -3.790 4.899 2.608 1.00 64.32 C ATOM 0 H THR A 81 -0.562 7.254 3.946 1.00 42.32 H new ATOM 0 HA THR A 81 -2.748 5.437 4.742 1.00 22.45 H new ATOM 0 HB THR A 81 -1.647 4.833 2.178 1.00 24.52 H new ATOM 0 HG1 THR A 81 -2.747 6.528 1.003 1.00 23.11 H new ATOM 0 HG21 THR A 81 -4.112 4.784 1.573 1.00 64.32 H new ATOM 0 HG22 THR A 81 -3.786 3.925 3.097 1.00 64.32 H new ATOM 0 HG23 THR A 81 -4.477 5.565 3.130 1.00 64.32 H new ATOM 1133 N ARG A 82 -1.152 3.451 4.776 1.00 54.02 N ATOM 1134 CA ARG A 82 -0.222 2.355 5.011 1.00 44.04 C ATOM 1135 C ARG A 82 -0.716 1.145 4.246 1.00 13.44 C ATOM 1136 O ARG A 82 -1.841 1.154 3.755 1.00 60.13 O ATOM 1137 CB ARG A 82 -0.087 2.040 6.510 1.00 11.25 C ATOM 1138 CG ARG A 82 0.255 3.262 7.373 1.00 41.22 C ATOM 1139 CD ARG A 82 0.846 2.838 8.721 1.00 14.41 C ATOM 1140 NE ARG A 82 0.368 3.648 9.855 1.00 2.31 N ATOM 1141 CZ ARG A 82 0.817 4.853 10.223 1.00 41.31 C ATOM 1142 NH1 ARG A 82 1.629 5.555 9.450 1.00 55.31 N ATOM 1143 NH2 ARG A 82 0.451 5.368 11.384 1.00 54.40 N ATOM 0 H ARG A 82 -2.129 3.176 4.874 1.00 54.02 H new ATOM 0 HA ARG A 82 0.771 2.640 4.662 1.00 44.04 H new ATOM 0 HB2 ARG A 82 -1.021 1.606 6.866 1.00 11.25 H new ATOM 0 HB3 ARG A 82 0.687 1.284 6.644 1.00 11.25 H new ATOM 0 HG2 ARG A 82 0.966 3.897 6.844 1.00 41.22 H new ATOM 0 HG3 ARG A 82 -0.643 3.858 7.537 1.00 41.22 H new ATOM 0 HD2 ARG A 82 0.600 1.792 8.903 1.00 14.41 H new ATOM 0 HD3 ARG A 82 1.933 2.906 8.669 1.00 14.41 H new ATOM 0 HE ARG A 82 -0.383 3.249 10.418 1.00 2.31 H new ATOM 0 HH11 ARG A 82 1.927 5.180 8.550 1.00 55.31 H new ATOM 0 HH12 ARG A 82 1.957 6.472 9.754 1.00 55.31 H new ATOM 0 HH21 ARG A 82 -0.174 4.847 11.999 1.00 54.40 H new ATOM 0 HH22 ARG A 82 0.793 6.287 11.665 1.00 54.40 H new ATOM 1154 N VAL A 83 0.116 0.115 4.162 1.00 3.42 N ATOM 1155 CA VAL A 83 -0.164 -1.145 3.499 1.00 52.04 C ATOM 1156 C VAL A 83 0.633 -2.196 4.287 1.00 4.04 C ATOM 1157 O VAL A 83 1.865 -2.198 4.213 1.00 35.45 O ATOM 1158 CB VAL A 83 0.253 -1.031 2.014 1.00 73.34 C ATOM 1159 CG1 VAL A 83 -0.019 -2.340 1.268 1.00 72.33 C ATOM 1160 CG2 VAL A 83 -0.444 0.093 1.224 1.00 32.44 C ATOM 0 H VAL A 83 1.048 0.140 4.575 1.00 3.42 H new ATOM 0 HA VAL A 83 -1.218 -1.422 3.489 1.00 52.04 H new ATOM 0 HB VAL A 83 1.316 -0.796 2.061 1.00 73.34 H new ATOM 0 HG11 VAL A 83 0.283 -2.234 0.226 1.00 72.33 H new ATOM 0 HG12 VAL A 83 0.549 -3.147 1.730 1.00 72.33 H new ATOM 0 HG13 VAL A 83 -1.083 -2.572 1.316 1.00 72.33 H new ATOM 0 HG21 VAL A 83 -0.085 0.091 0.195 1.00 32.44 H new ATOM 0 HG22 VAL A 83 -1.522 -0.070 1.233 1.00 32.44 H new ATOM 0 HG23 VAL A 83 -0.219 1.055 1.685 1.00 32.44 H new ATOM 1170 N PHE A 84 -0.043 -3.016 5.101 1.00 31.54 N ATOM 1171 CA PHE A 84 0.542 -4.118 5.869 1.00 14.55 C ATOM 1172 C PHE A 84 0.446 -5.372 5.010 1.00 71.33 C ATOM 1173 O PHE A 84 -0.648 -5.878 4.750 1.00 60.33 O ATOM 1174 CB PHE A 84 -0.182 -4.307 7.220 1.00 64.40 C ATOM 1175 CG PHE A 84 -0.005 -3.223 8.278 1.00 21.53 C ATOM 1176 CD1 PHE A 84 1.011 -2.254 8.174 1.00 34.55 C ATOM 1177 CD2 PHE A 84 -0.819 -3.228 9.428 1.00 61.24 C ATOM 1178 CE1 PHE A 84 1.178 -1.277 9.171 1.00 52.00 C ATOM 1179 CE2 PHE A 84 -0.640 -2.269 10.438 1.00 15.23 C ATOM 1180 CZ PHE A 84 0.348 -1.281 10.304 1.00 4.42 C ATOM 0 H PHE A 84 -1.048 -2.926 5.247 1.00 31.54 H new ATOM 0 HA PHE A 84 1.583 -3.902 6.108 1.00 14.55 H new ATOM 0 HB2 PHE A 84 -1.248 -4.407 7.018 1.00 64.40 H new ATOM 0 HB3 PHE A 84 0.151 -5.252 7.649 1.00 64.40 H new ATOM 0 HD1 PHE A 84 1.670 -2.261 7.318 1.00 34.55 H new ATOM 0 HD2 PHE A 84 -1.589 -3.978 9.534 1.00 61.24 H new ATOM 0 HE1 PHE A 84 1.944 -0.523 9.066 1.00 52.00 H new ATOM 0 HE2 PHE A 84 -1.264 -2.292 11.319 1.00 15.23 H new ATOM 0 HZ PHE A 84 0.469 -0.528 11.068 1.00 4.42 H new ATOM 1189 N ILE A 85 1.566 -5.805 4.448 1.00 62.32 N ATOM 1190 CA ILE A 85 1.671 -6.982 3.598 1.00 31.13 C ATOM 1191 C ILE A 85 1.887 -8.163 4.531 1.00 40.52 C ATOM 1192 O ILE A 85 2.928 -8.225 5.172 1.00 35.23 O ATOM 1193 CB ILE A 85 2.852 -6.806 2.630 1.00 51.54 C ATOM 1194 CG1 ILE A 85 2.745 -5.513 1.793 1.00 20.43 C ATOM 1195 CG2 ILE A 85 2.908 -8.011 1.705 1.00 62.33 C ATOM 1196 CD1 ILE A 85 3.894 -5.285 0.799 1.00 75.22 C ATOM 0 H ILE A 85 2.459 -5.329 4.576 1.00 62.32 H new ATOM 0 HA ILE A 85 0.778 -7.138 2.993 1.00 31.13 H new ATOM 0 HB ILE A 85 3.763 -6.727 3.223 1.00 51.54 H new ATOM 0 HG12 ILE A 85 1.806 -5.533 1.241 1.00 20.43 H new ATOM 0 HG13 ILE A 85 2.698 -4.662 2.472 1.00 20.43 H new ATOM 0 HG21 ILE A 85 3.742 -7.899 1.012 1.00 62.33 H new ATOM 0 HG22 ILE A 85 3.045 -8.917 2.295 1.00 62.33 H new ATOM 0 HG23 ILE A 85 1.977 -8.082 1.143 1.00 62.33 H new ATOM 0 HD11 ILE A 85 3.729 -4.353 0.259 1.00 75.22 H new ATOM 0 HD12 ILE A 85 4.838 -5.228 1.341 1.00 75.22 H new ATOM 0 HD13 ILE A 85 3.932 -6.112 0.090 1.00 75.22 H new ATOM 1207 N GLU A 86 0.940 -9.086 4.608 1.00 13.32 N ATOM 1208 CA GLU A 86 0.988 -10.247 5.493 1.00 52.21 C ATOM 1209 C GLU A 86 0.122 -11.364 4.896 1.00 71.00 C ATOM 1210 O GLU A 86 -0.419 -11.214 3.798 1.00 74.02 O ATOM 1211 CB GLU A 86 0.562 -9.836 6.912 1.00 74.42 C ATOM 1212 CG GLU A 86 -0.821 -9.170 6.976 1.00 2.51 C ATOM 1213 CD GLU A 86 -1.279 -8.867 8.405 1.00 71.43 C ATOM 1214 OE1 GLU A 86 -0.455 -8.906 9.355 1.00 21.24 O ATOM 1215 OE2 GLU A 86 -2.490 -8.585 8.578 1.00 63.10 O ATOM 0 H GLU A 86 0.092 -9.050 4.042 1.00 13.32 H new ATOM 0 HA GLU A 86 2.003 -10.635 5.577 1.00 52.21 H new ATOM 0 HB2 GLU A 86 0.559 -10.719 7.551 1.00 74.42 H new ATOM 0 HB3 GLU A 86 1.304 -9.150 7.320 1.00 74.42 H new ATOM 0 HG2 GLU A 86 -0.797 -8.242 6.405 1.00 2.51 H new ATOM 0 HG3 GLU A 86 -1.553 -9.820 6.497 1.00 2.51 H new ATOM 1220 N LEU A 87 0.050 -12.505 5.579 1.00 12.53 N ATOM 1221 CA LEU A 87 -0.731 -13.665 5.153 1.00 22.45 C ATOM 1222 C LEU A 87 -2.046 -13.760 5.933 1.00 12.12 C ATOM 1223 O LEU A 87 -2.129 -13.264 7.059 1.00 1.22 O ATOM 1224 CB LEU A 87 0.070 -14.958 5.376 1.00 71.13 C ATOM 1225 CG LEU A 87 1.521 -14.965 4.868 1.00 64.24 C ATOM 1226 CD1 LEU A 87 2.181 -16.291 5.258 1.00 63.23 C ATOM 1227 CD2 LEU A 87 1.558 -14.755 3.350 1.00 61.23 C ATOM 0 H LEU A 87 0.542 -12.652 6.460 1.00 12.53 H new ATOM 0 HA LEU A 87 -0.952 -13.542 4.093 1.00 22.45 H new ATOM 0 HB2 LEU A 87 0.082 -15.171 6.445 1.00 71.13 H new ATOM 0 HB3 LEU A 87 -0.464 -15.777 4.894 1.00 71.13 H new ATOM 0 HG LEU A 87 2.074 -14.145 5.327 1.00 64.24 H new ATOM 0 HD11 LEU A 87 3.211 -16.304 4.901 1.00 63.23 H new ATOM 0 HD12 LEU A 87 2.172 -16.397 6.343 1.00 63.23 H new ATOM 0 HD13 LEU A 87 1.631 -17.117 4.808 1.00 63.23 H new ATOM 0 HD21 LEU A 87 2.593 -14.763 3.007 1.00 61.23 H new ATOM 0 HD22 LEU A 87 1.007 -15.556 2.858 1.00 61.23 H new ATOM 0 HD23 LEU A 87 1.101 -13.796 3.104 1.00 61.23 H new ATOM 1238 N ASP A 88 -3.023 -14.501 5.402 1.00 32.15 N ATOM 1239 CA ASP A 88 -4.293 -14.874 6.050 1.00 50.44 C ATOM 1240 C ASP A 88 -4.742 -16.231 5.466 1.00 33.11 C ATOM 1241 O ASP A 88 -3.990 -16.849 4.713 1.00 25.15 O ATOM 1242 CB ASP A 88 -5.329 -13.748 5.832 1.00 5.15 C ATOM 1243 CG ASP A 88 -6.683 -13.930 6.532 1.00 13.44 C ATOM 1244 OD1 ASP A 88 -6.793 -14.690 7.528 1.00 74.10 O ATOM 1245 OD2 ASP A 88 -7.686 -13.356 6.064 1.00 1.31 O ATOM 0 H ASP A 88 -2.949 -14.879 4.458 1.00 32.15 H new ATOM 0 HA ASP A 88 -4.181 -14.990 7.128 1.00 50.44 H new ATOM 0 HB2 ASP A 88 -4.891 -12.809 6.171 1.00 5.15 H new ATOM 0 HB3 ASP A 88 -5.507 -13.649 4.761 1.00 5.15 H new ATOM 1249 N GLU A 89 -5.943 -16.705 5.801 1.00 33.33 N ATOM 1250 CA GLU A 89 -6.704 -17.808 5.211 1.00 23.32 C ATOM 1251 C GLU A 89 -6.072 -19.165 5.506 1.00 73.30 C ATOM 1252 O GLU A 89 -6.622 -19.941 6.287 1.00 22.33 O ATOM 1253 CB GLU A 89 -6.947 -17.604 3.705 1.00 54.50 C ATOM 1254 CG GLU A 89 -7.777 -16.345 3.415 1.00 23.05 C ATOM 1255 CD GLU A 89 -7.957 -16.036 1.932 1.00 71.01 C ATOM 1256 OE1 GLU A 89 -7.633 -16.891 1.061 1.00 13.11 O ATOM 1257 OE2 GLU A 89 -8.414 -14.906 1.651 1.00 63.41 O ATOM 0 H GLU A 89 -6.460 -16.282 6.572 1.00 33.33 H new ATOM 0 HA GLU A 89 -7.682 -17.804 5.693 1.00 23.32 H new ATOM 0 HB2 GLU A 89 -5.989 -17.531 3.191 1.00 54.50 H new ATOM 0 HB3 GLU A 89 -7.460 -18.476 3.300 1.00 54.50 H new ATOM 0 HG2 GLU A 89 -8.760 -16.460 3.872 1.00 23.05 H new ATOM 0 HG3 GLU A 89 -7.300 -15.491 3.896 1.00 23.05 H new ATOM 1262 N ASN A 90 -4.942 -19.477 4.883 1.00 12.45 N ATOM 1263 CA ASN A 90 -4.241 -20.754 5.011 1.00 12.23 C ATOM 1264 C ASN A 90 -2.724 -20.537 4.997 1.00 64.43 C ATOM 1265 O ASN A 90 -1.997 -21.496 4.725 1.00 63.11 O ATOM 1266 CB ASN A 90 -4.639 -21.720 3.880 1.00 45.32 C ATOM 1267 CG ASN A 90 -6.130 -21.853 3.668 1.00 22.21 C ATOM 1268 OD1 ASN A 90 -6.816 -22.611 4.350 1.00 25.13 O ATOM 1269 ND2 ASN A 90 -6.670 -21.157 2.685 1.00 1.43 N ATOM 0 H ASN A 90 -4.471 -18.828 4.253 1.00 12.45 H new ATOM 0 HA ASN A 90 -4.530 -21.198 5.964 1.00 12.23 H new ATOM 0 HB2 ASN A 90 -4.181 -21.381 2.951 1.00 45.32 H new ATOM 0 HB3 ASN A 90 -4.226 -22.705 4.098 1.00 45.32 H new ATOM 0 HD21 ASN A 90 -7.666 -21.245 2.485 1.00 1.43 H new ATOM 0 HD22 ASN A 90 -6.091 -20.531 2.125 1.00 1.43 H new ATOM 1275 N ALA A 91 -2.257 -19.308 5.238 1.00 31.05 N ATOM 1276 CA ALA A 91 -0.961 -18.763 4.826 1.00 23.05 C ATOM 1277 C ALA A 91 -0.976 -18.435 3.323 1.00 64.14 C ATOM 1278 O ALA A 91 0.012 -18.616 2.615 1.00 51.13 O ATOM 1279 CB ALA A 91 0.230 -19.628 5.280 1.00 31.31 C ATOM 0 H ALA A 91 -2.808 -18.626 5.758 1.00 31.05 H new ATOM 0 HA ALA A 91 -0.802 -17.821 5.351 1.00 23.05 H new ATOM 0 HB1 ALA A 91 1.161 -19.171 4.944 1.00 31.31 H new ATOM 0 HB2 ALA A 91 0.233 -19.701 6.368 1.00 31.31 H new ATOM 0 HB3 ALA A 91 0.140 -20.626 4.850 1.00 31.31 H new ATOM 1285 N ASP A 92 -2.122 -17.974 2.820 1.00 1.42 N ATOM 1286 CA ASP A 92 -2.250 -17.396 1.482 1.00 71.01 C ATOM 1287 C ASP A 92 -1.798 -15.938 1.572 1.00 12.54 C ATOM 1288 O ASP A 92 -1.934 -15.309 2.624 1.00 71.00 O ATOM 1289 CB ASP A 92 -3.711 -17.374 1.020 1.00 23.15 C ATOM 1290 CG ASP A 92 -4.303 -18.711 0.595 1.00 31.42 C ATOM 1291 OD1 ASP A 92 -4.809 -19.468 1.445 1.00 51.23 O ATOM 1292 OD2 ASP A 92 -4.401 -18.928 -0.638 1.00 14.53 O ATOM 0 H ASP A 92 -3.000 -17.992 3.339 1.00 1.42 H new ATOM 0 HA ASP A 92 -1.659 -17.990 0.785 1.00 71.01 H new ATOM 0 HB2 ASP A 92 -4.320 -16.972 1.830 1.00 23.15 H new ATOM 0 HB3 ASP A 92 -3.795 -16.681 0.183 1.00 23.15 H new ATOM 1296 N VAL A 93 -1.322 -15.360 0.468 1.00 64.00 N ATOM 1297 CA VAL A 93 -0.895 -13.968 0.438 1.00 12.21 C ATOM 1298 C VAL A 93 -2.120 -13.062 0.271 1.00 41.50 C ATOM 1299 O VAL A 93 -2.756 -13.079 -0.790 1.00 50.24 O ATOM 1300 CB VAL A 93 0.162 -13.749 -0.662 1.00 62.03 C ATOM 1301 CG1 VAL A 93 0.761 -12.357 -0.495 1.00 42.14 C ATOM 1302 CG2 VAL A 93 1.311 -14.766 -0.562 1.00 21.25 C ATOM 0 H VAL A 93 -1.224 -15.844 -0.424 1.00 64.00 H new ATOM 0 HA VAL A 93 -0.417 -13.706 1.382 1.00 12.21 H new ATOM 0 HB VAL A 93 -0.331 -13.868 -1.627 1.00 62.03 H new ATOM 0 HG11 VAL A 93 1.511 -12.189 -1.268 1.00 42.14 H new ATOM 0 HG12 VAL A 93 -0.027 -11.609 -0.585 1.00 42.14 H new ATOM 0 HG13 VAL A 93 1.227 -12.277 0.487 1.00 42.14 H new ATOM 0 HG21 VAL A 93 2.034 -14.577 -1.355 1.00 21.25 H new ATOM 0 HG22 VAL A 93 1.801 -14.667 0.407 1.00 21.25 H new ATOM 0 HG23 VAL A 93 0.913 -15.776 -0.667 1.00 21.25 H new ATOM 1312 N GLN A 94 -2.425 -12.263 1.298 1.00 21.42 N ATOM 1313 CA GLN A 94 -3.493 -11.264 1.288 1.00 13.53 C ATOM 1314 C GLN A 94 -2.898 -9.868 1.472 1.00 72.31 C ATOM 1315 O GLN A 94 -1.691 -9.672 1.335 1.00 52.13 O ATOM 1316 CB GLN A 94 -4.584 -11.592 2.329 1.00 44.31 C ATOM 1317 CG GLN A 94 -5.214 -12.983 2.197 1.00 11.22 C ATOM 1318 CD GLN A 94 -5.528 -13.410 0.770 1.00 14.52 C ATOM 1319 OE1 GLN A 94 -5.960 -12.635 -0.082 1.00 74.00 O ATOM 1320 NE2 GLN A 94 -5.269 -14.666 0.482 1.00 63.10 N ATOM 0 H GLN A 94 -1.920 -12.296 2.184 1.00 21.42 H new ATOM 0 HA GLN A 94 -3.992 -11.285 0.319 1.00 13.53 H new ATOM 0 HB2 GLN A 94 -4.153 -11.499 3.326 1.00 44.31 H new ATOM 0 HB3 GLN A 94 -5.373 -10.844 2.252 1.00 44.31 H new ATOM 0 HG2 GLN A 94 -4.539 -13.715 2.640 1.00 11.22 H new ATOM 0 HG3 GLN A 94 -6.135 -13.006 2.779 1.00 11.22 H new ATOM 0 HE21 GLN A 94 -4.911 -15.291 1.204 1.00 63.10 H new ATOM 0 HE22 GLN A 94 -5.426 -15.015 -0.463 1.00 63.10 H new ATOM 1327 N VAL A 95 -3.742 -8.873 1.721 1.00 14.15 N ATOM 1328 CA VAL A 95 -3.361 -7.487 1.910 1.00 34.34 C ATOM 1329 C VAL A 95 -4.128 -7.016 3.144 1.00 42.33 C ATOM 1330 O VAL A 95 -5.293 -7.374 3.326 1.00 54.41 O ATOM 1331 CB VAL A 95 -3.733 -6.706 0.632 1.00 71.00 C ATOM 1332 CG1 VAL A 95 -3.313 -5.230 0.648 1.00 31.05 C ATOM 1333 CG2 VAL A 95 -3.105 -7.351 -0.616 1.00 54.21 C ATOM 0 H VAL A 95 -4.748 -9.020 1.799 1.00 14.15 H new ATOM 0 HA VAL A 95 -2.293 -7.337 2.070 1.00 34.34 H new ATOM 0 HB VAL A 95 -4.822 -6.749 0.600 1.00 71.00 H new ATOM 0 HG11 VAL A 95 -3.612 -4.756 -0.287 1.00 31.05 H new ATOM 0 HG12 VAL A 95 -3.797 -4.723 1.483 1.00 31.05 H new ATOM 0 HG13 VAL A 95 -2.231 -5.161 0.759 1.00 31.05 H new ATOM 0 HG21 VAL A 95 -3.385 -6.779 -1.501 1.00 54.21 H new ATOM 0 HG22 VAL A 95 -2.020 -7.357 -0.516 1.00 54.21 H new ATOM 0 HG23 VAL A 95 -3.465 -8.375 -0.717 1.00 54.21 H new ATOM 1343 N PHE A 96 -3.503 -6.195 3.983 1.00 45.20 N ATOM 1344 CA PHE A 96 -4.132 -5.634 5.169 1.00 41.40 C ATOM 1345 C PHE A 96 -3.720 -4.179 5.344 1.00 73.52 C ATOM 1346 O PHE A 96 -2.807 -3.676 4.676 1.00 1.05 O ATOM 1347 CB PHE A 96 -3.718 -6.466 6.386 1.00 1.34 C ATOM 1348 CG PHE A 96 -4.630 -6.294 7.584 1.00 33.14 C ATOM 1349 CD1 PHE A 96 -5.898 -6.901 7.584 1.00 4.52 C ATOM 1350 CD2 PHE A 96 -4.226 -5.532 8.694 1.00 52.22 C ATOM 1351 CE1 PHE A 96 -6.739 -6.786 8.699 1.00 10.25 C ATOM 1352 CE2 PHE A 96 -5.069 -5.421 9.811 1.00 73.21 C ATOM 1353 CZ PHE A 96 -6.324 -6.050 9.819 1.00 25.03 C ATOM 0 H PHE A 96 -2.535 -5.899 3.855 1.00 45.20 H new ATOM 0 HA PHE A 96 -5.216 -5.664 5.064 1.00 41.40 H new ATOM 0 HB2 PHE A 96 -3.698 -7.519 6.105 1.00 1.34 H new ATOM 0 HB3 PHE A 96 -2.702 -6.193 6.672 1.00 1.34 H new ATOM 0 HD1 PHE A 96 -6.226 -7.459 6.720 1.00 4.52 H new ATOM 0 HD2 PHE A 96 -3.268 -5.033 8.687 1.00 52.22 H new ATOM 0 HE1 PHE A 96 -7.707 -7.264 8.696 1.00 10.25 H new ATOM 0 HE2 PHE A 96 -4.750 -4.848 10.669 1.00 73.21 H new ATOM 0 HZ PHE A 96 -6.967 -5.968 10.683 1.00 25.03 H new ATOM 1362 N ILE A 97 -4.382 -3.496 6.276 1.00 24.52 N ATOM 1363 CA ILE A 97 -4.112 -2.119 6.649 1.00 43.12 C ATOM 1364 C ILE A 97 -4.501 -1.853 8.103 1.00 31.12 C ATOM 1365 O ILE A 97 -5.442 -2.466 8.619 1.00 24.12 O ATOM 1366 CB ILE A 97 -4.865 -1.131 5.723 1.00 13.41 C ATOM 1367 CG1 ILE A 97 -6.276 -1.609 5.322 1.00 61.33 C ATOM 1368 CG2 ILE A 97 -4.028 -0.816 4.482 1.00 32.11 C ATOM 1369 CD1 ILE A 97 -7.012 -0.577 4.467 1.00 23.45 C ATOM 0 H ILE A 97 -5.149 -3.907 6.809 1.00 24.52 H new ATOM 0 HA ILE A 97 -3.039 -1.961 6.537 1.00 43.12 H new ATOM 0 HB ILE A 97 -5.011 -0.221 6.304 1.00 13.41 H new ATOM 0 HG12 ILE A 97 -6.198 -2.546 4.771 1.00 61.33 H new ATOM 0 HG13 ILE A 97 -6.857 -1.815 6.221 1.00 61.33 H new ATOM 0 HG21 ILE A 97 -4.572 -0.121 3.843 1.00 32.11 H new ATOM 0 HG22 ILE A 97 -3.083 -0.366 4.785 1.00 32.11 H new ATOM 0 HG23 ILE A 97 -3.832 -1.737 3.932 1.00 32.11 H new ATOM 0 HD11 ILE A 97 -8.000 -0.957 4.209 1.00 23.45 H new ATOM 0 HD12 ILE A 97 -7.115 0.352 5.027 1.00 23.45 H new ATOM 0 HD13 ILE A 97 -6.446 -0.390 3.555 1.00 23.45 H new ATOM 1380 N PRO A 98 -3.828 -0.890 8.751 1.00 34.13 N ATOM 1381 CA PRO A 98 -4.302 -0.297 9.979 1.00 23.42 C ATOM 1382 C PRO A 98 -5.482 0.619 9.654 1.00 70.30 C ATOM 1383 O PRO A 98 -5.309 1.619 8.954 1.00 1.22 O ATOM 1384 CB PRO A 98 -3.109 0.452 10.566 1.00 43.10 C ATOM 1385 CG PRO A 98 -2.307 0.864 9.335 1.00 55.30 C ATOM 1386 CD PRO A 98 -2.603 -0.236 8.313 1.00 14.41 C ATOM 0 HA PRO A 98 -4.664 -1.024 10.706 1.00 23.42 H new ATOM 0 HB2 PRO A 98 -3.425 1.318 11.147 1.00 43.10 H new ATOM 0 HB3 PRO A 98 -2.525 -0.183 11.232 1.00 43.10 H new ATOM 0 HG2 PRO A 98 -2.615 1.843 8.968 1.00 55.30 H new ATOM 0 HG3 PRO A 98 -1.241 0.927 9.556 1.00 55.30 H new ATOM 0 HD2 PRO A 98 -2.724 0.185 7.315 1.00 14.41 H new ATOM 0 HD3 PRO A 98 -1.780 -0.949 8.261 1.00 14.41 H new ATOM 1391 N GLN A 99 -6.675 0.282 10.133 1.00 24.21 N ATOM 1392 CA GLN A 99 -7.845 1.148 10.171 1.00 24.31 C ATOM 1393 C GLN A 99 -8.510 0.963 11.539 1.00 33.25 C ATOM 1394 O GLN A 99 -8.111 0.085 12.307 1.00 51.03 O ATOM 1395 CB GLN A 99 -8.811 0.800 9.024 1.00 25.31 C ATOM 1396 CG GLN A 99 -8.381 1.317 7.643 1.00 12.24 C ATOM 1397 CD GLN A 99 -8.247 2.845 7.581 1.00 33.54 C ATOM 1398 OE1 GLN A 99 -9.230 3.582 7.525 1.00 24.13 O ATOM 1399 NE2 GLN A 99 -7.030 3.358 7.587 1.00 41.41 N ATOM 0 H GLN A 99 -6.859 -0.643 10.522 1.00 24.21 H new ATOM 0 HA GLN A 99 -7.559 2.191 10.036 1.00 24.31 H new ATOM 0 HB2 GLN A 99 -8.918 -0.284 8.974 1.00 25.31 H new ATOM 0 HB3 GLN A 99 -9.794 1.207 9.259 1.00 25.31 H new ATOM 0 HG2 GLN A 99 -7.426 0.864 7.374 1.00 12.24 H new ATOM 0 HG3 GLN A 99 -9.108 0.993 6.899 1.00 12.24 H new ATOM 0 HE21 GLN A 99 -6.218 2.743 7.634 1.00 41.41 H new ATOM 0 HE22 GLN A 99 -6.903 4.369 7.545 1.00 41.41 H new ATOM 1406 N GLY A 100 -9.508 1.784 11.857 1.00 21.41 N ATOM 1407 CA GLY A 100 -10.394 1.591 12.989 1.00 54.22 C ATOM 1408 C GLY A 100 -10.632 2.930 13.656 1.00 51.33 C ATOM 1409 O GLY A 100 -11.722 3.494 13.541 1.00 23.35 O ATOM 0 H GLY A 100 -9.724 2.622 11.317 1.00 21.41 H new ATOM 0 HA2 GLY A 100 -11.339 1.160 12.659 1.00 54.22 H new ATOM 0 HA3 GLY A 100 -9.954 0.889 13.697 1.00 54.22 H new ATOM 1413 N GLU A 101 -9.615 3.414 14.373 1.00 64.53 N ATOM 1414 CA GLU A 101 -9.645 4.630 15.180 1.00 70.53 C ATOM 1415 C GLU A 101 -8.233 5.214 15.131 1.00 62.34 C ATOM 1416 O GLU A 101 -7.451 5.079 16.072 1.00 2.23 O ATOM 1417 CB GLU A 101 -10.112 4.389 16.642 1.00 73.32 C ATOM 1418 CG GLU A 101 -11.157 3.289 16.854 1.00 32.54 C ATOM 1419 CD GLU A 101 -10.585 1.878 16.669 1.00 21.55 C ATOM 1420 OE1 GLU A 101 -9.359 1.651 16.832 1.00 13.03 O ATOM 1421 OE2 GLU A 101 -11.364 0.973 16.305 1.00 25.55 O ATOM 0 H GLU A 101 -8.709 2.946 14.406 1.00 64.53 H new ATOM 0 HA GLU A 101 -10.381 5.323 14.773 1.00 70.53 H new ATOM 0 HB2 GLU A 101 -9.236 4.148 17.244 1.00 73.32 H new ATOM 0 HB3 GLU A 101 -10.518 5.324 17.029 1.00 73.32 H new ATOM 0 HG2 GLU A 101 -11.572 3.378 17.858 1.00 32.54 H new ATOM 0 HG3 GLU A 101 -11.980 3.437 16.154 1.00 32.54 H new ATOM 1426 N ILE A 102 -7.852 5.757 13.978 1.00 61.41 N ATOM 1427 CA ILE A 102 -6.580 6.438 13.766 1.00 12.21 C ATOM 1428 C ILE A 102 -6.801 7.804 13.130 1.00 72.24 C ATOM 1429 O ILE A 102 -5.904 8.347 12.478 1.00 10.44 O ATOM 1430 CB ILE A 102 -5.599 5.555 12.970 1.00 62.54 C ATOM 1431 CG1 ILE A 102 -5.917 5.278 11.482 1.00 31.25 C ATOM 1432 CG2 ILE A 102 -5.334 4.258 13.730 1.00 65.30 C ATOM 1433 CD1 ILE A 102 -7.317 4.747 11.157 1.00 11.31 C ATOM 0 H ILE A 102 -8.437 5.734 13.143 1.00 61.41 H new ATOM 0 HA ILE A 102 -6.112 6.614 14.735 1.00 12.21 H new ATOM 0 HB ILE A 102 -4.700 6.168 12.900 1.00 62.54 H new ATOM 0 HG12 ILE A 102 -5.768 6.204 10.926 1.00 31.25 H new ATOM 0 HG13 ILE A 102 -5.187 4.560 11.108 1.00 31.25 H new ATOM 0 HG21 ILE A 102 -4.640 3.639 13.162 1.00 65.30 H new ATOM 0 HG22 ILE A 102 -4.901 4.489 14.703 1.00 65.30 H new ATOM 0 HG23 ILE A 102 -6.271 3.719 13.868 1.00 65.30 H new ATOM 0 HD11 ILE A 102 -7.408 4.596 10.081 1.00 11.31 H new ATOM 0 HD12 ILE A 102 -7.475 3.799 11.671 1.00 11.31 H new ATOM 0 HD13 ILE A 102 -8.065 5.468 11.487 1.00 11.31 H new ATOM 1444 N ASP A 103 -8.020 8.332 13.226 1.00 5.14 N ATOM 1445 CA ASP A 103 -8.309 9.695 12.819 1.00 25.13 C ATOM 1446 C ASP A 103 -8.082 10.632 13.991 1.00 72.51 C ATOM 1447 O ASP A 103 -7.525 11.727 13.764 1.00 53.31 O ATOM 1448 CB ASP A 103 -9.735 9.831 12.292 1.00 64.33 C ATOM 1449 CG ASP A 103 -9.971 11.242 11.738 1.00 22.21 C ATOM 1450 OD1 ASP A 103 -9.343 11.586 10.702 1.00 5.04 O ATOM 1451 OD2 ASP A 103 -10.800 11.984 12.296 1.00 70.13 O ATOM 0 H ASP A 103 -8.828 7.825 13.587 1.00 5.14 H new ATOM 0 HA ASP A 103 -7.635 9.963 12.005 1.00 25.13 H new ATOM 0 HB2 ASP A 103 -9.912 9.093 11.510 1.00 64.33 H new ATOM 0 HB3 ASP A 103 -10.446 9.624 13.092 1.00 64.33 H new TER 1455 ASP A 103