USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 60 SER OG : rot 60:sc= 1.06 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -168:sc= 1.26 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.881 X(o=-0.88,f=-0.42) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 37 TYR OH : rot -30:sc= -1.04 USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.28) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 1.17 (180deg=-0.647) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.085) USER MOD Single : A 65 CYS SG : rot 82:sc= -6.39! USER MOD Single : A 66 THR OG1 : rot 71:sc= 0.352 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.0641 (180deg=-0.35) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 1.1 K(o=1.1,f=-0.086) USER MOD Single : B 122 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.029) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.758 -8.669 2.923 1.00 60.50 N ATOM 2 CA ASN A 10 -10.402 -8.156 3.020 1.00 35.10 C ATOM 3 C ASN A 10 -9.882 -7.725 1.653 1.00 0.54 C ATOM 4 O ASN A 10 -9.158 -6.735 1.537 1.00 10.20 O ATOM 5 CB ASN A 10 -9.475 -9.217 3.619 1.00 4.25 C ATOM 6 CG ASN A 10 -9.826 -9.546 5.056 1.00 12.00 C ATOM 7 OD1 ASN A 10 -10.659 -8.881 5.672 1.00 14.50 O ATOM 8 ND2 ASN A 10 -9.189 -10.576 5.600 1.00 41.10 N ATOM 0 HA ASN A 10 -10.417 -7.284 3.674 1.00 35.10 H new ATOM 0 HB2 ASN A 10 -9.530 -10.124 3.018 1.00 4.25 H new ATOM 0 HB3 ASN A 10 -8.445 -8.864 3.571 1.00 4.25 H new ATOM 0 HD21 ASN A 10 -9.383 -10.844 6.565 1.00 41.10 H new ATOM 0 HD22 ASN A 10 -8.506 -11.100 5.053 1.00 41.10 H new ATOM 15 N LEU A 11 -10.250 -8.470 0.624 1.00 51.30 N ATOM 16 CA LEU A 11 -9.821 -8.163 -0.735 1.00 13.40 C ATOM 17 C LEU A 11 -10.530 -6.919 -1.263 1.00 11.30 C ATOM 18 O LEU A 11 -9.957 -6.144 -2.028 1.00 14.10 O ATOM 19 CB LEU A 11 -10.100 -9.352 -1.660 1.00 13.20 C ATOM 20 CG LEU A 11 -9.081 -9.550 -2.782 1.00 20.20 C ATOM 21 CD1 LEU A 11 -9.054 -11.008 -3.227 1.00 60.00 C ATOM 22 CD2 LEU A 11 -9.403 -8.642 -3.960 1.00 23.30 C ATOM 0 H LEU A 11 -10.846 -9.294 0.702 1.00 51.30 H new ATOM 0 HA LEU A 11 -8.749 -7.968 -0.715 1.00 13.40 H new ATOM 0 HB2 LEU A 11 -10.137 -10.260 -1.058 1.00 13.20 H new ATOM 0 HB3 LEU A 11 -11.087 -9.224 -2.104 1.00 13.20 H new ATOM 0 HG LEU A 11 -8.094 -9.286 -2.401 1.00 20.20 H new ATOM 0 HD11 LEU A 11 -8.323 -11.131 -4.026 1.00 60.00 H new ATOM 0 HD12 LEU A 11 -8.779 -11.641 -2.383 1.00 60.00 H new ATOM 0 HD13 LEU A 11 -10.041 -11.296 -3.590 1.00 60.00 H new ATOM 0 HD21 LEU A 11 -8.668 -8.796 -4.750 1.00 23.30 H new ATOM 0 HD22 LEU A 11 -10.397 -8.877 -4.339 1.00 23.30 H new ATOM 0 HD23 LEU A 11 -9.375 -7.602 -3.636 1.00 23.30 H new ATOM 34 N GLN A 12 -11.784 -6.739 -0.852 1.00 24.30 N ATOM 35 CA GLN A 12 -12.570 -5.588 -1.281 1.00 24.10 C ATOM 36 C GLN A 12 -11.963 -4.289 -0.763 1.00 62.40 C ATOM 37 O GLN A 12 -11.786 -3.332 -1.516 1.00 44.40 O ATOM 38 CB GLN A 12 -14.013 -5.719 -0.791 1.00 12.40 C ATOM 39 CG GLN A 12 -15.003 -4.899 -1.598 1.00 41.20 C ATOM 40 CD GLN A 12 -15.797 -5.745 -2.578 1.00 54.40 C ATOM 41 OE1 GLN A 12 -15.235 -6.555 -3.317 1.00 35.30 O ATOM 42 NE2 GLN A 12 -17.115 -5.563 -2.592 1.00 25.20 N ATOM 0 H GLN A 12 -12.275 -7.375 -0.224 1.00 24.30 H new ATOM 0 HA GLN A 12 -12.563 -5.562 -2.371 1.00 24.10 H new ATOM 0 HB2 GLN A 12 -14.307 -6.768 -0.828 1.00 12.40 H new ATOM 0 HB3 GLN A 12 -14.063 -5.410 0.253 1.00 12.40 H new ATOM 0 HG2 GLN A 12 -15.690 -4.394 -0.919 1.00 41.20 H new ATOM 0 HG3 GLN A 12 -14.467 -4.123 -2.144 1.00 41.20 H new ATOM 0 HE21 GLN A 12 -17.543 -4.882 -1.964 1.00 25.20 H new ATOM 0 HE22 GLN A 12 -17.698 -6.104 -3.231 1.00 25.20 H new ATOM 51 N LYS A 13 -11.647 -4.264 0.527 1.00 10.10 N ATOM 52 CA LYS A 13 -11.059 -3.083 1.146 1.00 40.40 C ATOM 53 C LYS A 13 -9.682 -2.788 0.557 1.00 12.20 C ATOM 54 O LYS A 13 -9.270 -1.631 0.466 1.00 41.10 O ATOM 55 CB LYS A 13 -10.948 -3.275 2.659 1.00 51.00 C ATOM 56 CG LYS A 13 -12.182 -2.821 3.421 1.00 61.10 C ATOM 57 CD LYS A 13 -13.346 -3.776 3.218 1.00 33.20 C ATOM 58 CE LYS A 13 -14.683 -3.067 3.366 1.00 23.30 C ATOM 59 NZ LYS A 13 -14.905 -2.587 4.757 1.00 45.40 N ATOM 0 H LYS A 13 -11.788 -5.048 1.164 1.00 10.10 H new ATOM 0 HA LYS A 13 -11.712 -2.234 0.942 1.00 40.40 H new ATOM 0 HB2 LYS A 13 -10.767 -4.329 2.871 1.00 51.00 H new ATOM 0 HB3 LYS A 13 -10.082 -2.723 3.024 1.00 51.00 H new ATOM 0 HG2 LYS A 13 -11.949 -2.751 4.483 1.00 61.10 H new ATOM 0 HG3 LYS A 13 -12.468 -1.822 3.091 1.00 61.10 H new ATOM 0 HD2 LYS A 13 -13.280 -4.226 2.228 1.00 33.20 H new ATOM 0 HD3 LYS A 13 -13.282 -4.588 3.942 1.00 33.20 H new ATOM 0 HE2 LYS A 13 -14.724 -2.222 2.679 1.00 23.30 H new ATOM 0 HE3 LYS A 13 -15.487 -3.746 3.083 1.00 23.30 H new ATOM 0 HZ1 LYS A 13 -15.827 -2.109 4.816 1.00 45.40 H new ATOM 0 HZ2 LYS A 13 -14.892 -3.396 5.410 1.00 45.40 H new ATOM 0 HZ3 LYS A 13 -14.152 -1.919 5.018 1.00 45.40 H new ATOM 73 N ALA A 14 -8.977 -3.841 0.159 1.00 11.50 N ATOM 74 CA ALA A 14 -7.647 -3.695 -0.420 1.00 35.40 C ATOM 75 C ALA A 14 -7.692 -2.856 -1.692 1.00 45.40 C ATOM 76 O ALA A 14 -6.896 -1.934 -1.869 1.00 65.40 O ATOM 77 CB ALA A 14 -7.045 -5.062 -0.708 1.00 13.10 C ATOM 0 H ALA A 14 -9.304 -4.805 0.227 1.00 11.50 H new ATOM 0 HA ALA A 14 -7.017 -3.177 0.303 1.00 35.40 H new ATOM 0 HB1 ALA A 14 -6.052 -4.939 -1.140 1.00 13.10 H new ATOM 0 HB2 ALA A 14 -6.969 -5.629 0.220 1.00 13.10 H new ATOM 0 HB3 ALA A 14 -7.682 -5.599 -1.410 1.00 13.10 H new ATOM 83 N ILE A 15 -8.628 -3.183 -2.577 1.00 34.10 N ATOM 84 CA ILE A 15 -8.776 -2.459 -3.834 1.00 1.23 C ATOM 85 C ILE A 15 -9.423 -1.096 -3.610 1.00 52.40 C ATOM 86 O ILE A 15 -9.020 -0.101 -4.213 1.00 31.40 O ATOM 87 CB ILE A 15 -9.619 -3.253 -4.842 1.00 11.50 C ATOM 88 CG1 ILE A 15 -9.122 -4.697 -4.941 1.00 34.10 C ATOM 89 CG2 ILE A 15 -9.588 -2.583 -6.208 1.00 51.10 C ATOM 90 CD1 ILE A 15 -7.689 -4.806 -5.425 1.00 23.20 C ATOM 0 H ILE A 15 -9.295 -3.944 -2.447 1.00 34.10 H new ATOM 0 HA ILE A 15 -7.774 -2.321 -4.239 1.00 1.23 H new ATOM 0 HB ILE A 15 -10.650 -3.269 -4.489 1.00 11.50 H new ATOM 0 HG12 ILE A 15 -9.205 -5.170 -3.963 1.00 34.10 H new ATOM 0 HG13 ILE A 15 -9.771 -5.252 -5.619 1.00 34.10 H new ATOM 0 HG21 ILE A 15 -10.191 -3.159 -6.910 1.00 51.10 H new ATOM 0 HG22 ILE A 15 -9.991 -1.574 -6.127 1.00 51.10 H new ATOM 0 HG23 ILE A 15 -8.560 -2.535 -6.567 1.00 51.10 H new ATOM 0 HD11 ILE A 15 -7.400 -5.856 -5.472 1.00 23.20 H new ATOM 0 HD12 ILE A 15 -7.605 -4.361 -6.417 1.00 23.20 H new ATOM 0 HD13 ILE A 15 -7.031 -4.279 -4.734 1.00 23.20 H new ATOM 102 N ASP A 16 -10.426 -1.059 -2.740 1.00 12.30 N ATOM 103 CA ASP A 16 -11.128 0.183 -2.436 1.00 63.40 C ATOM 104 C ASP A 16 -10.180 1.207 -1.819 1.00 13.30 C ATOM 105 O ASP A 16 -10.289 2.404 -2.082 1.00 40.30 O ATOM 106 CB ASP A 16 -12.295 -0.087 -1.484 1.00 24.40 C ATOM 107 CG ASP A 16 -13.584 -0.381 -2.220 1.00 24.10 C ATOM 108 OD1 ASP A 16 -13.522 -1.020 -3.292 1.00 75.30 O ATOM 109 OD2 ASP A 16 -14.656 0.026 -1.726 1.00 50.20 O ATOM 0 H ASP A 16 -10.771 -1.874 -2.233 1.00 12.30 H new ATOM 0 HA ASP A 16 -11.516 0.590 -3.370 1.00 63.40 H new ATOM 0 HB2 ASP A 16 -12.047 -0.931 -0.840 1.00 24.40 H new ATOM 0 HB3 ASP A 16 -12.439 0.777 -0.836 1.00 24.40 H new ATOM 114 N LEU A 17 -9.251 0.727 -0.999 1.00 20.00 N ATOM 115 CA LEU A 17 -8.284 1.601 -0.346 1.00 53.20 C ATOM 116 C LEU A 17 -7.181 2.012 -1.314 1.00 41.00 C ATOM 117 O LEU A 17 -6.836 3.190 -1.415 1.00 55.40 O ATOM 118 CB LEU A 17 -7.676 0.902 0.872 1.00 22.30 C ATOM 119 CG LEU A 17 -8.538 0.933 2.134 1.00 74.30 C ATOM 120 CD1 LEU A 17 -8.115 -0.166 3.096 1.00 41.30 C ATOM 121 CD2 LEU A 17 -8.452 2.295 2.805 1.00 0.43 C ATOM 0 H LEU A 17 -9.148 -0.262 -0.771 1.00 20.00 H new ATOM 0 HA LEU A 17 -8.807 2.499 -0.018 1.00 53.20 H new ATOM 0 HB2 LEU A 17 -7.476 -0.138 0.613 1.00 22.30 H new ATOM 0 HB3 LEU A 17 -6.715 1.365 1.095 1.00 22.30 H new ATOM 0 HG LEU A 17 -9.575 0.757 1.848 1.00 74.30 H new ATOM 0 HD11 LEU A 17 -8.740 -0.129 3.989 1.00 41.30 H new ATOM 0 HD12 LEU A 17 -8.230 -1.136 2.613 1.00 41.30 H new ATOM 0 HD13 LEU A 17 -7.072 -0.022 3.377 1.00 41.30 H new ATOM 0 HD21 LEU A 17 -9.072 2.299 3.702 1.00 0.43 H new ATOM 0 HD22 LEU A 17 -7.417 2.501 3.078 1.00 0.43 H new ATOM 0 HD23 LEU A 17 -8.805 3.063 2.117 1.00 0.43 H new ATOM 133 N ALA A 18 -6.630 1.035 -2.027 1.00 1.23 N ATOM 134 CA ALA A 18 -5.565 1.295 -2.988 1.00 51.30 C ATOM 135 C ALA A 18 -6.032 2.256 -4.076 1.00 51.20 C ATOM 136 O ALA A 18 -5.285 3.137 -4.501 1.00 71.30 O ATOM 137 CB ALA A 18 -5.082 -0.009 -3.604 1.00 15.20 C ATOM 0 H ALA A 18 -6.904 0.055 -1.957 1.00 1.23 H new ATOM 0 HA ALA A 18 -4.735 1.763 -2.458 1.00 51.30 H new ATOM 0 HB1 ALA A 18 -4.287 0.199 -4.320 1.00 15.20 H new ATOM 0 HB2 ALA A 18 -4.702 -0.663 -2.819 1.00 15.20 H new ATOM 0 HB3 ALA A 18 -5.911 -0.499 -4.115 1.00 15.20 H new ATOM 143 N SER A 19 -7.271 2.078 -4.522 1.00 45.00 N ATOM 144 CA SER A 19 -7.837 2.930 -5.562 1.00 21.10 C ATOM 145 C SER A 19 -8.062 4.346 -5.044 1.00 53.30 C ATOM 146 O SER A 19 -7.689 5.323 -5.693 1.00 55.30 O ATOM 147 CB SER A 19 -9.157 2.344 -6.068 1.00 42.00 C ATOM 148 OG SER A 19 -9.793 3.227 -6.976 1.00 14.40 O ATOM 0 H SER A 19 -7.902 1.353 -4.180 1.00 45.00 H new ATOM 0 HA SER A 19 -7.126 2.974 -6.387 1.00 21.10 H new ATOM 0 HB2 SER A 19 -8.970 1.388 -6.557 1.00 42.00 H new ATOM 0 HB3 SER A 19 -9.818 2.147 -5.224 1.00 42.00 H new ATOM 0 HG SER A 19 -10.633 2.829 -7.286 1.00 14.40 H new ATOM 154 N LYS A 20 -8.673 4.450 -3.868 1.00 63.50 N ATOM 155 CA LYS A 20 -8.948 5.748 -3.261 1.00 54.10 C ATOM 156 C LYS A 20 -7.650 6.476 -2.923 1.00 12.20 C ATOM 157 O LYS A 20 -7.589 7.704 -2.961 1.00 14.40 O ATOM 158 CB LYS A 20 -9.793 5.574 -1.998 1.00 43.50 C ATOM 159 CG LYS A 20 -10.695 6.762 -1.701 1.00 2.14 C ATOM 160 CD LYS A 20 -11.395 6.608 -0.362 1.00 72.10 C ATOM 161 CE LYS A 20 -12.812 7.158 -0.407 1.00 44.10 C ATOM 162 NZ LYS A 20 -13.523 6.970 0.886 1.00 63.20 N ATOM 0 H LYS A 20 -8.987 3.652 -3.316 1.00 63.50 H new ATOM 0 HA LYS A 20 -9.503 6.349 -3.981 1.00 54.10 H new ATOM 0 HB2 LYS A 20 -10.407 4.679 -2.102 1.00 43.50 H new ATOM 0 HB3 LYS A 20 -9.131 5.409 -1.148 1.00 43.50 H new ATOM 0 HG2 LYS A 20 -10.104 7.678 -1.701 1.00 2.14 H new ATOM 0 HG3 LYS A 20 -11.438 6.863 -2.492 1.00 2.14 H new ATOM 0 HD2 LYS A 20 -11.421 5.555 -0.083 1.00 72.10 H new ATOM 0 HD3 LYS A 20 -10.826 7.128 0.409 1.00 72.10 H new ATOM 0 HE2 LYS A 20 -12.781 8.219 -0.653 1.00 44.10 H new ATOM 0 HE3 LYS A 20 -13.368 6.662 -1.202 1.00 44.10 H new ATOM 0 HZ1 LYS A 20 -14.485 7.358 0.813 1.00 63.20 H new ATOM 0 HZ2 LYS A 20 -13.575 5.956 1.109 1.00 63.20 H new ATOM 0 HZ3 LYS A 20 -13.007 7.464 1.641 1.00 63.20 H new ATOM 176 N ALA A 21 -6.616 5.708 -2.593 1.00 12.10 N ATOM 177 CA ALA A 21 -5.321 6.280 -2.249 1.00 14.30 C ATOM 178 C ALA A 21 -4.720 7.031 -3.433 1.00 75.20 C ATOM 179 O ALA A 21 -4.215 8.144 -3.283 1.00 62.20 O ATOM 180 CB ALA A 21 -4.371 5.189 -1.777 1.00 13.00 C ATOM 0 H ALA A 21 -6.651 4.689 -2.557 1.00 12.10 H new ATOM 0 HA ALA A 21 -5.470 6.993 -1.438 1.00 14.30 H new ATOM 0 HB1 ALA A 21 -3.407 5.630 -1.523 1.00 13.00 H new ATOM 0 HB2 ALA A 21 -4.788 4.699 -0.898 1.00 13.00 H new ATOM 0 HB3 ALA A 21 -4.236 4.455 -2.572 1.00 13.00 H new ATOM 186 N ALA A 22 -4.779 6.416 -4.609 1.00 33.10 N ATOM 187 CA ALA A 22 -4.241 7.026 -5.818 1.00 5.22 C ATOM 188 C ALA A 22 -5.104 8.199 -6.272 1.00 4.50 C ATOM 189 O ALA A 22 -4.604 9.159 -6.858 1.00 73.10 O ATOM 190 CB ALA A 22 -4.130 5.991 -6.927 1.00 55.00 C ATOM 0 H ALA A 22 -5.194 5.495 -4.750 1.00 33.10 H new ATOM 0 HA ALA A 22 -3.246 7.407 -5.590 1.00 5.22 H new ATOM 0 HB1 ALA A 22 -3.727 6.461 -7.824 1.00 55.00 H new ATOM 0 HB2 ALA A 22 -3.467 5.187 -6.609 1.00 55.00 H new ATOM 0 HB3 ALA A 22 -5.117 5.583 -7.144 1.00 55.00 H new ATOM 196 N GLN A 23 -6.402 8.113 -5.999 1.00 31.10 N ATOM 197 CA GLN A 23 -7.334 9.167 -6.379 1.00 24.20 C ATOM 198 C GLN A 23 -7.014 10.467 -5.648 1.00 64.40 C ATOM 199 O GLN A 23 -6.987 11.539 -6.252 1.00 33.20 O ATOM 200 CB GLN A 23 -8.772 8.739 -6.076 1.00 33.10 C ATOM 201 CG GLN A 23 -9.821 9.621 -6.733 1.00 11.20 C ATOM 202 CD GLN A 23 -11.075 9.761 -5.893 1.00 73.50 C ATOM 203 OE1 GLN A 23 -12.118 9.193 -6.215 1.00 14.20 O ATOM 204 NE2 GLN A 23 -10.978 10.521 -4.809 1.00 11.50 N ATOM 0 H GLN A 23 -6.832 7.324 -5.516 1.00 31.10 H new ATOM 0 HA GLN A 23 -7.231 9.339 -7.450 1.00 24.20 H new ATOM 0 HB2 GLN A 23 -8.914 7.711 -6.409 1.00 33.10 H new ATOM 0 HB3 GLN A 23 -8.925 8.749 -4.997 1.00 33.10 H new ATOM 0 HG2 GLN A 23 -9.398 10.609 -6.914 1.00 11.20 H new ATOM 0 HG3 GLN A 23 -10.084 9.204 -7.705 1.00 11.20 H new ATOM 0 HE21 GLN A 23 -10.093 10.973 -4.581 1.00 11.50 H new ATOM 0 HE22 GLN A 23 -11.789 10.653 -4.204 1.00 11.50 H new ATOM 213 N GLU A 24 -6.773 10.364 -4.345 1.00 55.10 N ATOM 214 CA GLU A 24 -6.454 11.531 -3.532 1.00 63.10 C ATOM 215 C GLU A 24 -5.087 12.097 -3.902 1.00 75.20 C ATOM 216 O GLU A 24 -4.857 13.303 -3.810 1.00 55.20 O ATOM 217 CB GLU A 24 -6.483 11.168 -2.046 1.00 21.10 C ATOM 218 CG GLU A 24 -7.885 11.092 -1.466 1.00 32.20 C ATOM 219 CD GLU A 24 -8.668 12.376 -1.658 1.00 4.12 C ATOM 220 OE1 GLU A 24 -9.210 12.580 -2.766 1.00 44.40 O ATOM 221 OE2 GLU A 24 -8.739 13.177 -0.704 1.00 72.20 O ATOM 0 H GLU A 24 -6.793 9.484 -3.830 1.00 55.10 H new ATOM 0 HA GLU A 24 -7.208 12.294 -3.728 1.00 63.10 H new ATOM 0 HB2 GLU A 24 -5.988 10.207 -1.906 1.00 21.10 H new ATOM 0 HB3 GLU A 24 -5.908 11.907 -1.489 1.00 21.10 H new ATOM 0 HG2 GLU A 24 -8.424 10.269 -1.935 1.00 32.20 H new ATOM 0 HG3 GLU A 24 -7.822 10.866 -0.402 1.00 32.20 H new ATOM 228 N ASP A 25 -4.182 11.218 -4.323 1.00 12.00 N ATOM 229 CA ASP A 25 -2.838 11.630 -4.709 1.00 33.40 C ATOM 230 C ASP A 25 -2.885 12.640 -5.851 1.00 31.30 C ATOM 231 O ASP A 25 -2.193 13.657 -5.822 1.00 74.30 O ATOM 232 CB ASP A 25 -2.008 10.413 -5.121 1.00 62.30 C ATOM 233 CG ASP A 25 -0.539 10.748 -5.294 1.00 74.30 C ATOM 234 OD1 ASP A 25 -0.147 11.138 -6.415 1.00 71.30 O ATOM 235 OD2 ASP A 25 0.220 10.620 -4.311 1.00 3.10 O ATOM 0 H ASP A 25 -4.356 10.216 -4.405 1.00 12.00 H new ATOM 0 HA ASP A 25 -2.369 12.106 -3.848 1.00 33.40 H new ATOM 0 HB2 ASP A 25 -2.114 9.632 -4.368 1.00 62.30 H new ATOM 0 HB3 ASP A 25 -2.399 10.009 -6.055 1.00 62.30 H new ATOM 240 N LYS A 26 -3.706 12.351 -6.855 1.00 75.10 N ATOM 241 CA LYS A 26 -3.845 13.234 -8.007 1.00 61.10 C ATOM 242 C LYS A 26 -4.788 14.391 -7.694 1.00 33.30 C ATOM 243 O LYS A 26 -4.636 15.491 -8.225 1.00 60.20 O ATOM 244 CB LYS A 26 -4.362 12.452 -9.216 1.00 60.40 C ATOM 245 CG LYS A 26 -3.773 12.917 -10.538 1.00 64.50 C ATOM 246 CD LYS A 26 -4.605 12.440 -11.717 1.00 42.40 C ATOM 247 CE LYS A 26 -3.817 12.495 -13.011 1.00 15.50 C ATOM 248 NZ LYS A 26 -4.379 11.583 -14.046 1.00 15.20 N ATOM 0 H LYS A 26 -4.285 11.512 -6.894 1.00 75.10 H new ATOM 0 HA LYS A 26 -2.862 13.643 -8.241 1.00 61.10 H new ATOM 0 HB2 LYS A 26 -4.135 11.395 -9.078 1.00 60.40 H new ATOM 0 HB3 LYS A 26 -5.447 12.542 -9.260 1.00 60.40 H new ATOM 0 HG2 LYS A 26 -3.715 14.005 -10.549 1.00 64.50 H new ATOM 0 HG3 LYS A 26 -2.754 12.543 -10.635 1.00 64.50 H new ATOM 0 HD2 LYS A 26 -4.941 11.419 -11.537 1.00 42.40 H new ATOM 0 HD3 LYS A 26 -5.498 13.058 -11.807 1.00 42.40 H new ATOM 0 HE2 LYS A 26 -3.815 13.517 -13.391 1.00 15.50 H new ATOM 0 HE3 LYS A 26 -2.779 12.225 -12.815 1.00 15.50 H new ATOM 0 HZ1 LYS A 26 -3.811 11.651 -14.914 1.00 15.20 H new ATOM 0 HZ2 LYS A 26 -4.358 10.604 -13.695 1.00 15.20 H new ATOM 0 HZ3 LYS A 26 -5.361 11.856 -14.253 1.00 15.20 H new ATOM 262 N ALA A 27 -5.762 14.136 -6.827 1.00 23.40 N ATOM 263 CA ALA A 27 -6.730 15.156 -6.442 1.00 3.13 C ATOM 264 C ALA A 27 -6.041 16.348 -5.788 1.00 23.50 C ATOM 265 O ALA A 27 -6.097 17.467 -6.298 1.00 71.10 O ATOM 266 CB ALA A 27 -7.772 14.566 -5.503 1.00 72.20 C ATOM 0 H ALA A 27 -5.902 13.231 -6.377 1.00 23.40 H new ATOM 0 HA ALA A 27 -7.228 15.509 -7.345 1.00 3.13 H new ATOM 0 HB1 ALA A 27 -8.489 15.338 -5.223 1.00 72.20 H new ATOM 0 HB2 ALA A 27 -8.294 13.751 -6.005 1.00 72.20 H new ATOM 0 HB3 ALA A 27 -7.281 14.185 -4.607 1.00 72.20 H new ATOM 272 N GLY A 28 -5.389 16.101 -4.657 1.00 32.20 N ATOM 273 CA GLY A 28 -4.697 17.165 -3.952 1.00 32.00 C ATOM 274 C GLY A 28 -4.442 16.830 -2.497 1.00 51.10 C ATOM 275 O GLY A 28 -3.492 17.332 -1.895 1.00 65.40 O ATOM 0 H GLY A 28 -5.327 15.183 -4.216 1.00 32.20 H new ATOM 0 HA2 GLY A 28 -3.747 17.365 -4.447 1.00 32.00 H new ATOM 0 HA3 GLY A 28 -5.287 18.080 -4.012 1.00 32.00 H new ATOM 279 N ASN A 29 -5.292 15.981 -1.927 1.00 60.40 N ATOM 280 CA ASN A 29 -5.153 15.582 -0.532 1.00 35.10 C ATOM 281 C ASN A 29 -4.051 14.541 -0.370 1.00 41.40 C ATOM 282 O ASN A 29 -4.324 13.345 -0.263 1.00 60.30 O ATOM 283 CB ASN A 29 -6.477 15.027 -0.004 1.00 61.20 C ATOM 284 CG ASN A 29 -7.629 15.993 -0.201 1.00 52.40 C ATOM 285 OD1 ASN A 29 -7.759 16.979 0.524 1.00 62.10 O ATOM 286 ND2 ASN A 29 -8.473 15.714 -1.187 1.00 73.10 N ATOM 0 H ASN A 29 -6.084 15.557 -2.410 1.00 60.40 H new ATOM 0 HA ASN A 29 -4.881 16.465 0.046 1.00 35.10 H new ATOM 0 HB2 ASN A 29 -6.702 14.089 -0.511 1.00 61.20 H new ATOM 0 HB3 ASN A 29 -6.375 14.799 1.057 1.00 61.20 H new ATOM 0 HD21 ASN A 29 -9.267 16.328 -1.368 1.00 73.10 H new ATOM 0 HD22 ASN A 29 -8.327 14.886 -1.764 1.00 73.10 H new ATOM 293 N TYR A 30 -2.805 15.003 -0.352 1.00 15.30 N ATOM 294 CA TYR A 30 -1.661 14.110 -0.202 1.00 64.50 C ATOM 295 C TYR A 30 -1.734 13.353 1.120 1.00 13.10 C ATOM 296 O TYR A 30 -1.640 12.127 1.150 1.00 23.30 O ATOM 297 CB TYR A 30 -0.355 14.902 -0.279 1.00 13.50 C ATOM 298 CG TYR A 30 -0.211 15.707 -1.551 1.00 71.20 C ATOM 299 CD1 TYR A 30 -0.602 15.181 -2.777 1.00 63.10 C ATOM 300 CD2 TYR A 30 0.316 16.992 -1.527 1.00 71.30 C ATOM 301 CE1 TYR A 30 -0.471 15.911 -3.941 1.00 40.20 C ATOM 302 CE2 TYR A 30 0.449 17.729 -2.688 1.00 70.10 C ATOM 303 CZ TYR A 30 0.055 17.185 -3.891 1.00 14.10 C ATOM 304 OH TYR A 30 0.187 17.917 -5.050 1.00 54.40 O ATOM 0 H TYR A 30 -2.562 15.990 -0.439 1.00 15.30 H new ATOM 0 HA TYR A 30 -1.686 13.387 -1.017 1.00 64.50 H new ATOM 0 HB2 TYR A 30 -0.297 15.575 0.576 1.00 13.50 H new ATOM 0 HB3 TYR A 30 0.485 14.211 -0.199 1.00 13.50 H new ATOM 0 HD1 TYR A 30 -1.015 14.184 -2.819 1.00 63.10 H new ATOM 0 HD2 TYR A 30 0.627 17.422 -0.586 1.00 71.30 H new ATOM 0 HE1 TYR A 30 -0.779 15.487 -4.885 1.00 40.20 H new ATOM 0 HE2 TYR A 30 0.860 18.727 -2.653 1.00 70.10 H new ATOM 0 HH TYR A 30 0.573 18.793 -4.841 1.00 54.40 H new ATOM 314 N GLU A 31 -1.904 14.094 2.210 1.00 55.20 N ATOM 315 CA GLU A 31 -1.994 13.491 3.536 1.00 33.30 C ATOM 316 C GLU A 31 -3.128 12.473 3.591 1.00 22.40 C ATOM 317 O GLU A 31 -3.052 11.483 4.318 1.00 4.22 O ATOM 318 CB GLU A 31 -2.209 14.573 4.596 1.00 25.00 C ATOM 319 CG GLU A 31 -1.487 14.296 5.904 1.00 24.20 C ATOM 320 CD GLU A 31 -2.387 13.654 6.941 1.00 64.30 C ATOM 321 OE1 GLU A 31 -2.738 12.468 6.771 1.00 2.53 O ATOM 322 OE2 GLU A 31 -2.742 14.339 7.925 1.00 2.41 O ATOM 0 H GLU A 31 -1.982 15.111 2.202 1.00 55.20 H new ATOM 0 HA GLU A 31 -1.056 12.975 3.741 1.00 33.30 H new ATOM 0 HB2 GLU A 31 -1.871 15.530 4.200 1.00 25.00 H new ATOM 0 HB3 GLU A 31 -3.277 14.669 4.793 1.00 25.00 H new ATOM 0 HG2 GLU A 31 -0.635 13.643 5.713 1.00 24.20 H new ATOM 0 HG3 GLU A 31 -1.090 15.230 6.301 1.00 24.20 H new ATOM 329 N GLU A 32 -4.175 12.722 2.811 1.00 1.12 N ATOM 330 CA GLU A 32 -5.323 11.825 2.763 1.00 3.10 C ATOM 331 C GLU A 32 -4.966 10.535 2.033 1.00 51.30 C ATOM 332 O GLU A 32 -5.367 9.445 2.442 1.00 71.10 O ATOM 333 CB GLU A 32 -6.502 12.511 2.069 1.00 52.20 C ATOM 334 CG GLU A 32 -7.744 11.641 1.973 1.00 4.31 C ATOM 335 CD GLU A 32 -8.528 11.599 3.270 1.00 0.13 C ATOM 336 OE1 GLU A 32 -8.663 12.659 3.916 1.00 62.20 O ATOM 337 OE2 GLU A 32 -9.009 10.507 3.638 1.00 21.20 O ATOM 0 H GLU A 32 -4.252 13.538 2.204 1.00 1.12 H new ATOM 0 HA GLU A 32 -5.609 11.578 3.785 1.00 3.10 H new ATOM 0 HB2 GLU A 32 -6.750 13.424 2.610 1.00 52.20 H new ATOM 0 HB3 GLU A 32 -6.199 12.808 1.065 1.00 52.20 H new ATOM 0 HG2 GLU A 32 -8.386 12.017 1.177 1.00 4.31 H new ATOM 0 HG3 GLU A 32 -7.453 10.628 1.696 1.00 4.31 H new ATOM 344 N ALA A 33 -4.207 10.668 0.950 1.00 44.10 N ATOM 345 CA ALA A 33 -3.790 9.515 0.161 1.00 23.50 C ATOM 346 C ALA A 33 -2.740 8.698 0.906 1.00 43.30 C ATOM 347 O ALA A 33 -2.695 7.473 0.791 1.00 51.20 O ATOM 348 CB ALA A 33 -3.252 9.967 -1.188 1.00 41.10 C ATOM 0 H ALA A 33 -3.868 11.564 0.599 1.00 44.10 H new ATOM 0 HA ALA A 33 -4.660 8.880 -0.003 1.00 23.50 H new ATOM 0 HB1 ALA A 33 -2.944 9.096 -1.767 1.00 41.10 H new ATOM 0 HB2 ALA A 33 -4.031 10.505 -1.728 1.00 41.10 H new ATOM 0 HB3 ALA A 33 -2.395 10.624 -1.037 1.00 41.10 H new ATOM 354 N LEU A 34 -1.897 9.386 1.670 1.00 15.40 N ATOM 355 CA LEU A 34 -0.846 8.726 2.437 1.00 22.10 C ATOM 356 C LEU A 34 -1.437 7.717 3.415 1.00 30.10 C ATOM 357 O LEU A 34 -1.059 6.546 3.418 1.00 24.20 O ATOM 358 CB LEU A 34 -0.014 9.763 3.195 1.00 60.30 C ATOM 359 CG LEU A 34 1.105 9.187 4.063 1.00 21.00 C ATOM 360 CD1 LEU A 34 2.214 10.210 4.250 1.00 12.20 C ATOM 361 CD2 LEU A 34 0.557 8.739 5.408 1.00 22.40 C ATOM 0 H LEU A 34 -1.921 10.400 1.774 1.00 15.40 H new ATOM 0 HA LEU A 34 -0.201 8.191 1.739 1.00 22.10 H new ATOM 0 HB2 LEU A 34 0.425 10.452 2.473 1.00 60.30 H new ATOM 0 HB3 LEU A 34 -0.680 10.348 3.829 1.00 60.30 H new ATOM 0 HG LEU A 34 1.523 8.317 3.556 1.00 21.00 H new ATOM 0 HD11 LEU A 34 3.002 9.783 4.870 1.00 12.20 H new ATOM 0 HD12 LEU A 34 2.625 10.483 3.278 1.00 12.20 H new ATOM 0 HD13 LEU A 34 1.811 11.099 4.736 1.00 12.20 H new ATOM 0 HD21 LEU A 34 1.367 8.332 6.013 1.00 22.40 H new ATOM 0 HD22 LEU A 34 0.113 9.591 5.922 1.00 22.40 H new ATOM 0 HD23 LEU A 34 -0.202 7.972 5.254 1.00 22.40 H new ATOM 373 N GLN A 35 -2.367 8.179 4.245 1.00 42.40 N ATOM 374 CA GLN A 35 -3.010 7.317 5.229 1.00 4.44 C ATOM 375 C GLN A 35 -3.739 6.163 4.547 1.00 22.40 C ATOM 376 O GLN A 35 -3.640 5.013 4.976 1.00 61.40 O ATOM 377 CB GLN A 35 -3.992 8.123 6.080 1.00 53.50 C ATOM 378 CG GLN A 35 -3.322 8.936 7.176 1.00 32.40 C ATOM 379 CD GLN A 35 -4.317 9.715 8.014 1.00 50.20 C ATOM 380 OE1 GLN A 35 -5.229 10.350 7.486 1.00 42.20 O ATOM 381 NE2 GLN A 35 -4.144 9.671 9.330 1.00 73.10 N ATOM 0 H GLN A 35 -2.692 9.146 4.255 1.00 42.40 H new ATOM 0 HA GLN A 35 -2.235 6.904 5.875 1.00 4.44 H new ATOM 0 HB2 GLN A 35 -4.554 8.796 5.432 1.00 53.50 H new ATOM 0 HB3 GLN A 35 -4.712 7.441 6.533 1.00 53.50 H new ATOM 0 HG2 GLN A 35 -2.752 8.268 7.822 1.00 32.40 H new ATOM 0 HG3 GLN A 35 -2.610 9.628 6.726 1.00 32.40 H new ATOM 0 HE21 GLN A 35 -3.374 9.132 9.725 1.00 73.10 H new ATOM 0 HE22 GLN A 35 -4.781 10.177 9.945 1.00 73.10 H new ATOM 390 N LEU A 36 -4.469 6.478 3.482 1.00 31.10 N ATOM 391 CA LEU A 36 -5.214 5.467 2.741 1.00 54.20 C ATOM 392 C LEU A 36 -4.268 4.497 2.042 1.00 63.40 C ATOM 393 O LEU A 36 -4.588 3.323 1.863 1.00 13.50 O ATOM 394 CB LEU A 36 -6.132 6.133 1.713 1.00 72.30 C ATOM 395 CG LEU A 36 -7.290 6.939 2.304 1.00 51.10 C ATOM 396 CD1 LEU A 36 -7.837 7.919 1.277 1.00 4.14 C ATOM 397 CD2 LEU A 36 -8.389 6.009 2.797 1.00 40.50 C ATOM 0 H LEU A 36 -4.560 7.425 3.113 1.00 31.10 H new ATOM 0 HA LEU A 36 -5.821 4.905 3.451 1.00 54.20 H new ATOM 0 HB2 LEU A 36 -5.532 6.794 1.087 1.00 72.30 H new ATOM 0 HB3 LEU A 36 -6.542 5.362 1.061 1.00 72.30 H new ATOM 0 HG LEU A 36 -6.915 7.509 3.155 1.00 51.10 H new ATOM 0 HD11 LEU A 36 -8.660 8.484 1.715 1.00 4.14 H new ATOM 0 HD12 LEU A 36 -7.047 8.606 0.973 1.00 4.14 H new ATOM 0 HD13 LEU A 36 -8.196 7.371 0.406 1.00 4.14 H new ATOM 0 HD21 LEU A 36 -9.205 6.599 3.214 1.00 40.50 H new ATOM 0 HD22 LEU A 36 -8.762 5.412 1.964 1.00 40.50 H new ATOM 0 HD23 LEU A 36 -7.989 5.348 3.566 1.00 40.50 H new ATOM 409 N TYR A 37 -3.101 4.998 1.648 1.00 11.20 N ATOM 410 CA TYR A 37 -2.107 4.175 0.968 1.00 71.40 C ATOM 411 C TYR A 37 -1.675 3.006 1.847 1.00 61.40 C ATOM 412 O TYR A 37 -1.677 1.854 1.411 1.00 22.40 O ATOM 413 CB TYR A 37 -0.889 5.019 0.588 1.00 25.00 C ATOM 414 CG TYR A 37 -0.984 5.636 -0.789 1.00 63.30 C ATOM 415 CD1 TYR A 37 -1.389 4.880 -1.883 1.00 53.40 C ATOM 416 CD2 TYR A 37 -0.670 6.973 -0.996 1.00 70.50 C ATOM 417 CE1 TYR A 37 -1.478 5.440 -3.143 1.00 11.40 C ATOM 418 CE2 TYR A 37 -0.756 7.540 -2.254 1.00 53.50 C ATOM 419 CZ TYR A 37 -1.160 6.769 -3.324 1.00 12.20 C ATOM 420 OH TYR A 37 -1.247 7.330 -4.577 1.00 1.24 O ATOM 0 H TYR A 37 -2.821 5.969 1.788 1.00 11.20 H new ATOM 0 HA TYR A 37 -2.562 3.776 0.061 1.00 71.40 H new ATOM 0 HB2 TYR A 37 -0.764 5.813 1.324 1.00 25.00 H new ATOM 0 HB3 TYR A 37 0.004 4.395 0.636 1.00 25.00 H new ATOM 0 HD1 TYR A 37 -1.638 3.838 -1.746 1.00 53.40 H new ATOM 0 HD2 TYR A 37 -0.353 7.580 -0.160 1.00 70.50 H new ATOM 0 HE1 TYR A 37 -1.795 4.839 -3.982 1.00 11.40 H new ATOM 0 HE2 TYR A 37 -0.508 8.581 -2.398 1.00 53.50 H new ATOM 0 HH TYR A 37 -1.069 6.645 -5.255 1.00 1.24 H new ATOM 430 N GLN A 38 -1.306 3.309 3.087 1.00 40.20 N ATOM 431 CA GLN A 38 -0.871 2.284 4.028 1.00 64.50 C ATOM 432 C GLN A 38 -1.977 1.261 4.268 1.00 33.40 C ATOM 433 O GLN A 38 -1.723 0.059 4.328 1.00 72.40 O ATOM 434 CB GLN A 38 -0.455 2.922 5.354 1.00 43.20 C ATOM 435 CG GLN A 38 0.812 3.757 5.256 1.00 40.30 C ATOM 436 CD GLN A 38 0.989 4.689 6.439 1.00 30.30 C ATOM 437 OE1 GLN A 38 0.748 4.309 7.585 1.00 15.40 O ATOM 438 NE2 GLN A 38 1.410 5.918 6.167 1.00 70.40 N ATOM 0 H GLN A 38 -1.300 4.257 3.464 1.00 40.20 H new ATOM 0 HA GLN A 38 -0.013 1.770 3.595 1.00 64.50 H new ATOM 0 HB2 GLN A 38 -1.268 3.551 5.716 1.00 43.20 H new ATOM 0 HB3 GLN A 38 -0.306 2.136 6.095 1.00 43.20 H new ATOM 0 HG2 GLN A 38 1.675 3.095 5.188 1.00 40.30 H new ATOM 0 HG3 GLN A 38 0.786 4.343 4.337 1.00 40.30 H new ATOM 0 HE21 GLN A 38 1.598 6.191 5.202 1.00 70.40 H new ATOM 0 HE22 GLN A 38 1.546 6.590 6.923 1.00 70.40 H new ATOM 447 N HIS A 39 -3.207 1.748 4.403 1.00 32.20 N ATOM 448 CA HIS A 39 -4.352 0.877 4.635 1.00 54.30 C ATOM 449 C HIS A 39 -4.570 -0.063 3.453 1.00 2.03 C ATOM 450 O HIS A 39 -4.950 -1.220 3.630 1.00 41.30 O ATOM 451 CB HIS A 39 -5.612 1.710 4.878 1.00 0.32 C ATOM 452 CG HIS A 39 -5.753 2.182 6.292 1.00 33.00 C ATOM 453 ND1 HIS A 39 -6.929 2.080 7.006 1.00 30.10 N ATOM 454 CD2 HIS A 39 -4.858 2.762 7.127 1.00 51.50 C ATOM 455 CE1 HIS A 39 -6.750 2.578 8.217 1.00 54.20 C ATOM 456 NE2 HIS A 39 -5.503 2.997 8.316 1.00 74.30 N ATOM 0 H HIS A 39 -3.435 2.741 4.356 1.00 32.20 H new ATOM 0 HA HIS A 39 -4.146 0.276 5.520 1.00 54.30 H new ATOM 0 HB2 HIS A 39 -5.600 2.575 4.214 1.00 0.32 H new ATOM 0 HB3 HIS A 39 -6.487 1.117 4.613 1.00 0.32 H new ATOM 0 HD2 HIS A 39 -3.828 2.996 6.900 1.00 51.50 H new ATOM 0 HE1 HIS A 39 -7.498 2.633 8.994 1.00 54.20 H new ATOM 0 HE2 HIS A 39 -5.086 3.426 9.142 1.00 74.30 H new ATOM 465 N ALA A 40 -4.327 0.443 2.249 1.00 22.10 N ATOM 466 CA ALA A 40 -4.496 -0.350 1.039 1.00 74.20 C ATOM 467 C ALA A 40 -3.456 -1.463 0.961 1.00 41.00 C ATOM 468 O ALA A 40 -3.797 -2.638 0.826 1.00 71.40 O ATOM 469 CB ALA A 40 -4.411 0.540 -0.192 1.00 53.20 C ATOM 0 H ALA A 40 -4.012 1.399 2.086 1.00 22.10 H new ATOM 0 HA ALA A 40 -5.483 -0.812 1.073 1.00 74.20 H new ATOM 0 HB1 ALA A 40 -4.539 -0.066 -1.089 1.00 53.20 H new ATOM 0 HB2 ALA A 40 -5.196 1.296 -0.150 1.00 53.20 H new ATOM 0 HB3 ALA A 40 -3.437 1.029 -0.221 1.00 53.20 H new ATOM 475 N VAL A 41 -2.185 -1.084 1.049 1.00 33.10 N ATOM 476 CA VAL A 41 -1.094 -2.050 0.988 1.00 70.30 C ATOM 477 C VAL A 41 -1.204 -3.073 2.115 1.00 30.10 C ATOM 478 O VAL A 41 -0.832 -4.235 1.949 1.00 61.00 O ATOM 479 CB VAL A 41 0.277 -1.355 1.074 1.00 61.20 C ATOM 480 CG1 VAL A 41 1.399 -2.349 0.814 1.00 21.40 C ATOM 481 CG2 VAL A 41 0.348 -0.191 0.097 1.00 25.10 C ATOM 0 H VAL A 41 -1.885 -0.116 1.163 1.00 33.10 H new ATOM 0 HA VAL A 41 -1.175 -2.559 0.028 1.00 70.30 H new ATOM 0 HB VAL A 41 0.400 -0.961 2.083 1.00 61.20 H new ATOM 0 HG11 VAL A 41 2.360 -1.838 0.879 1.00 21.40 H new ATOM 0 HG12 VAL A 41 1.360 -3.145 1.558 1.00 21.40 H new ATOM 0 HG13 VAL A 41 1.282 -2.777 -0.182 1.00 21.40 H new ATOM 0 HG21 VAL A 41 1.324 0.288 0.172 1.00 25.10 H new ATOM 0 HG22 VAL A 41 0.201 -0.559 -0.919 1.00 25.10 H new ATOM 0 HG23 VAL A 41 -0.431 0.533 0.336 1.00 25.10 H new ATOM 491 N GLN A 42 -1.716 -2.632 3.259 1.00 33.30 N ATOM 492 CA GLN A 42 -1.875 -3.510 4.413 1.00 35.00 C ATOM 493 C GLN A 42 -2.812 -4.669 4.090 1.00 43.10 C ATOM 494 O GLN A 42 -2.528 -5.820 4.423 1.00 25.20 O ATOM 495 CB GLN A 42 -2.413 -2.722 5.608 1.00 11.20 C ATOM 496 CG GLN A 42 -1.324 -2.107 6.471 1.00 13.10 C ATOM 497 CD GLN A 42 -1.629 -2.205 7.954 1.00 75.10 C ATOM 498 OE1 GLN A 42 -2.014 -1.221 8.586 1.00 44.10 O ATOM 499 NE2 GLN A 42 -1.460 -3.396 8.515 1.00 74.40 N ATOM 0 H GLN A 42 -2.028 -1.673 3.412 1.00 33.30 H new ATOM 0 HA GLN A 42 -0.896 -3.918 4.666 1.00 35.00 H new ATOM 0 HB2 GLN A 42 -3.068 -1.930 5.245 1.00 11.20 H new ATOM 0 HB3 GLN A 42 -3.023 -3.383 6.224 1.00 11.20 H new ATOM 0 HG2 GLN A 42 -0.377 -2.606 6.265 1.00 13.10 H new ATOM 0 HG3 GLN A 42 -1.198 -1.059 6.198 1.00 13.10 H new ATOM 0 HE21 GLN A 42 -1.139 -4.184 7.952 1.00 74.40 H new ATOM 0 HE22 GLN A 42 -1.651 -3.523 9.509 1.00 74.40 H new ATOM 508 N TYR A 43 -3.929 -4.359 3.440 1.00 12.30 N ATOM 509 CA TYR A 43 -4.907 -5.374 3.073 1.00 43.40 C ATOM 510 C TYR A 43 -4.361 -6.285 1.978 1.00 64.00 C ATOM 511 O TYR A 43 -4.664 -7.478 1.941 1.00 52.00 O ATOM 512 CB TYR A 43 -6.207 -4.717 2.604 1.00 42.00 C ATOM 513 CG TYR A 43 -7.200 -4.478 3.718 1.00 73.20 C ATOM 514 CD1 TYR A 43 -7.916 -5.531 4.274 1.00 61.20 C ATOM 515 CD2 TYR A 43 -7.422 -3.199 4.215 1.00 54.10 C ATOM 516 CE1 TYR A 43 -8.826 -5.316 5.293 1.00 64.10 C ATOM 517 CE2 TYR A 43 -8.329 -2.977 5.233 1.00 14.20 C ATOM 518 CZ TYR A 43 -9.028 -4.037 5.769 1.00 45.40 C ATOM 519 OH TYR A 43 -9.933 -3.820 6.783 1.00 11.20 O ATOM 0 H TYR A 43 -4.179 -3.411 3.157 1.00 12.30 H new ATOM 0 HA TYR A 43 -5.113 -5.979 3.956 1.00 43.40 H new ATOM 0 HB2 TYR A 43 -5.972 -3.765 2.128 1.00 42.00 H new ATOM 0 HB3 TYR A 43 -6.670 -5.348 1.845 1.00 42.00 H new ATOM 0 HD1 TYR A 43 -7.759 -6.534 3.904 1.00 61.20 H new ATOM 0 HD2 TYR A 43 -6.876 -2.365 3.798 1.00 54.10 H new ATOM 0 HE1 TYR A 43 -9.376 -6.145 5.714 1.00 64.10 H new ATOM 0 HE2 TYR A 43 -8.490 -1.977 5.607 1.00 14.20 H new ATOM 0 HH TYR A 43 -9.956 -2.865 7.003 1.00 11.20 H new ATOM 529 N PHE A 44 -3.555 -5.715 1.090 1.00 4.42 N ATOM 530 CA PHE A 44 -2.964 -6.472 -0.006 1.00 12.50 C ATOM 531 C PHE A 44 -2.141 -7.644 0.521 1.00 21.30 C ATOM 532 O PHE A 44 -2.342 -8.788 0.114 1.00 41.20 O ATOM 533 CB PHE A 44 -2.086 -5.558 -0.862 1.00 33.10 C ATOM 534 CG PHE A 44 -2.768 -5.063 -2.105 1.00 62.10 C ATOM 535 CD1 PHE A 44 -3.454 -5.938 -2.931 1.00 43.20 C ATOM 536 CD2 PHE A 44 -2.722 -3.721 -2.447 1.00 13.20 C ATOM 537 CE1 PHE A 44 -4.082 -5.485 -4.076 1.00 75.40 C ATOM 538 CE2 PHE A 44 -3.349 -3.262 -3.591 1.00 13.50 C ATOM 539 CZ PHE A 44 -4.029 -4.145 -4.406 1.00 31.10 C ATOM 0 H PHE A 44 -3.296 -4.729 1.108 1.00 4.42 H new ATOM 0 HA PHE A 44 -3.772 -6.870 -0.620 1.00 12.50 H new ATOM 0 HB2 PHE A 44 -1.774 -4.702 -0.263 1.00 33.10 H new ATOM 0 HB3 PHE A 44 -1.181 -6.097 -1.144 1.00 33.10 H new ATOM 0 HD1 PHE A 44 -3.499 -6.987 -2.677 1.00 43.20 H new ATOM 0 HD2 PHE A 44 -2.191 -3.026 -1.813 1.00 13.20 H new ATOM 0 HE1 PHE A 44 -4.613 -6.178 -4.712 1.00 75.40 H new ATOM 0 HE2 PHE A 44 -3.307 -2.214 -3.847 1.00 13.50 H new ATOM 0 HZ PHE A 44 -4.519 -3.788 -5.300 1.00 31.10 H new ATOM 549 N LEU A 45 -1.216 -7.350 1.428 1.00 40.10 N ATOM 550 CA LEU A 45 -0.363 -8.378 2.011 1.00 1.34 C ATOM 551 C LEU A 45 -1.185 -9.370 2.828 1.00 3.53 C ATOM 552 O LEU A 45 -0.839 -10.544 2.927 1.00 62.40 O ATOM 553 CB LEU A 45 0.712 -7.740 2.895 1.00 11.00 C ATOM 554 CG LEU A 45 1.987 -7.319 2.162 1.00 4.31 C ATOM 555 CD1 LEU A 45 2.753 -8.542 1.681 1.00 24.00 C ATOM 556 CD2 LEU A 45 1.653 -6.403 0.994 1.00 30.00 C ATOM 0 H LEU A 45 -1.038 -6.408 1.775 1.00 40.10 H new ATOM 0 HA LEU A 45 0.119 -8.917 1.196 1.00 1.34 H new ATOM 0 HB2 LEU A 45 0.286 -6.864 3.384 1.00 11.00 H new ATOM 0 HB3 LEU A 45 0.979 -8.445 3.682 1.00 11.00 H new ATOM 0 HG LEU A 45 2.620 -6.769 2.859 1.00 4.31 H new ATOM 0 HD11 LEU A 45 3.657 -8.224 1.162 1.00 24.00 H new ATOM 0 HD12 LEU A 45 3.024 -9.161 2.536 1.00 24.00 H new ATOM 0 HD13 LEU A 45 2.127 -9.119 1.000 1.00 24.00 H new ATOM 0 HD21 LEU A 45 2.572 -6.114 0.484 1.00 30.00 H new ATOM 0 HD22 LEU A 45 1.000 -6.927 0.296 1.00 30.00 H new ATOM 0 HD23 LEU A 45 1.147 -5.511 1.364 1.00 30.00 H new ATOM 568 N HIS A 46 -2.277 -8.886 3.412 1.00 70.10 N ATOM 569 CA HIS A 46 -3.148 -9.731 4.220 1.00 13.00 C ATOM 570 C HIS A 46 -3.708 -10.886 3.395 1.00 54.30 C ATOM 571 O HIS A 46 -3.566 -12.044 3.762 1.00 32.50 O ATOM 572 CB HIS A 46 -4.296 -8.903 4.803 1.00 44.40 C ATOM 573 CG HIS A 46 -4.940 -9.534 5.998 1.00 32.10 C ATOM 574 ND1 HIS A 46 -4.551 -9.266 7.294 1.00 14.50 N ATOM 575 CD2 HIS A 46 -5.956 -10.426 6.090 1.00 2.25 C ATOM 576 CE1 HIS A 46 -5.297 -9.966 8.130 1.00 31.10 C ATOM 577 NE2 HIS A 46 -6.157 -10.677 7.425 1.00 43.50 N ATOM 0 H HIS A 46 -2.579 -7.914 3.341 1.00 70.10 H new ATOM 0 HA HIS A 46 -2.555 -10.146 5.035 1.00 13.00 H new ATOM 0 HB2 HIS A 46 -3.919 -7.919 5.081 1.00 44.40 H new ATOM 0 HB3 HIS A 46 -5.051 -8.749 4.032 1.00 44.40 H new ATOM 0 HD2 HIS A 46 -6.505 -10.859 5.267 1.00 2.25 H new ATOM 0 HE1 HIS A 46 -5.217 -9.958 9.207 1.00 31.10 H new ATOM 0 HE2 HIS A 46 -6.858 -11.311 7.810 1.00 43.50 H new ATOM 586 N VAL A 47 -4.347 -10.553 2.278 1.00 34.20 N ATOM 587 CA VAL A 47 -4.927 -11.564 1.401 1.00 3.35 C ATOM 588 C VAL A 47 -3.855 -12.486 0.842 1.00 62.40 C ATOM 589 O VAL A 47 -4.110 -13.660 0.580 1.00 74.20 O ATOM 590 CB VAL A 47 -5.693 -10.920 0.231 1.00 54.10 C ATOM 591 CG1 VAL A 47 -6.947 -10.219 0.733 1.00 43.40 C ATOM 592 CG2 VAL A 47 -4.798 -9.950 -0.524 1.00 43.00 C ATOM 0 H VAL A 47 -4.476 -9.593 1.959 1.00 34.20 H new ATOM 0 HA VAL A 47 -5.623 -12.145 2.006 1.00 3.35 H new ATOM 0 HB VAL A 47 -5.997 -11.709 -0.457 1.00 54.10 H new ATOM 0 HG11 VAL A 47 -7.475 -9.770 -0.109 1.00 43.40 H new ATOM 0 HG12 VAL A 47 -7.597 -10.943 1.224 1.00 43.40 H new ATOM 0 HG13 VAL A 47 -6.669 -9.441 1.444 1.00 43.40 H new ATOM 0 HG21 VAL A 47 -5.357 -9.505 -1.347 1.00 43.00 H new ATOM 0 HG22 VAL A 47 -4.461 -9.165 0.152 1.00 43.00 H new ATOM 0 HG23 VAL A 47 -3.934 -10.484 -0.919 1.00 43.00 H new ATOM 602 N VAL A 48 -2.654 -11.946 0.662 1.00 70.30 N ATOM 603 CA VAL A 48 -1.540 -12.727 0.134 1.00 51.20 C ATOM 604 C VAL A 48 -1.042 -13.740 1.162 1.00 13.50 C ATOM 605 O VAL A 48 -0.643 -14.853 0.812 1.00 53.20 O ATOM 606 CB VAL A 48 -0.365 -11.824 -0.286 1.00 51.50 C ATOM 607 CG1 VAL A 48 0.724 -12.638 -0.968 1.00 41.00 C ATOM 608 CG2 VAL A 48 -0.851 -10.707 -1.195 1.00 11.10 C ATOM 0 H VAL A 48 -2.427 -10.974 0.873 1.00 70.30 H new ATOM 0 HA VAL A 48 -1.915 -13.254 -0.743 1.00 51.20 H new ATOM 0 HB VAL A 48 0.060 -11.376 0.612 1.00 51.50 H new ATOM 0 HG11 VAL A 48 1.544 -11.980 -1.256 1.00 41.00 H new ATOM 0 HG12 VAL A 48 1.094 -13.399 -0.281 1.00 41.00 H new ATOM 0 HG13 VAL A 48 0.316 -13.119 -1.857 1.00 41.00 H new ATOM 0 HG21 VAL A 48 -0.008 -10.079 -1.482 1.00 11.10 H new ATOM 0 HG22 VAL A 48 -1.304 -11.136 -2.088 1.00 11.10 H new ATOM 0 HG23 VAL A 48 -1.590 -10.104 -0.667 1.00 11.10 H new ATOM 618 N LYS A 49 -1.071 -13.344 2.432 1.00 23.40 N ATOM 619 CA LYS A 49 -0.621 -14.222 3.511 1.00 72.10 C ATOM 620 C LYS A 49 -1.574 -15.400 3.691 1.00 73.50 C ATOM 621 O LYS A 49 -1.163 -16.489 4.073 1.00 25.30 O ATOM 622 CB LYS A 49 -0.512 -13.430 4.818 1.00 52.30 C ATOM 623 CG LYS A 49 0.757 -12.603 4.921 1.00 23.40 C ATOM 624 CD LYS A 49 0.590 -11.455 5.910 1.00 3.01 C ATOM 625 CE LYS A 49 1.332 -10.211 5.451 1.00 34.20 C ATOM 626 NZ LYS A 49 2.672 -10.095 6.088 1.00 13.00 N ATOM 0 H LYS A 49 -1.399 -12.428 2.739 1.00 23.40 H new ATOM 0 HA LYS A 49 0.360 -14.616 3.246 1.00 72.10 H new ATOM 0 HB2 LYS A 49 -1.375 -12.770 4.906 1.00 52.30 H new ATOM 0 HB3 LYS A 49 -0.554 -14.123 5.658 1.00 52.30 H new ATOM 0 HG2 LYS A 49 1.584 -13.239 5.235 1.00 23.40 H new ATOM 0 HG3 LYS A 49 1.016 -12.206 3.939 1.00 23.40 H new ATOM 0 HD2 LYS A 49 -0.469 -11.226 6.027 1.00 3.01 H new ATOM 0 HD3 LYS A 49 0.960 -11.760 6.889 1.00 3.01 H new ATOM 0 HE2 LYS A 49 1.447 -10.236 4.367 1.00 34.20 H new ATOM 0 HE3 LYS A 49 0.740 -9.327 5.688 1.00 34.20 H new ATOM 0 HZ1 LYS A 49 2.903 -9.091 6.229 1.00 13.00 H new ATOM 0 HZ2 LYS A 49 2.663 -10.581 7.007 1.00 13.00 H new ATOM 0 HZ3 LYS A 49 3.388 -10.532 5.473 1.00 13.00 H new ATOM 640 N TYR A 50 -2.855 -15.160 3.413 1.00 64.10 N ATOM 641 CA TYR A 50 -3.868 -16.202 3.544 1.00 54.20 C ATOM 642 C TYR A 50 -4.351 -16.670 2.174 1.00 65.10 C ATOM 643 O TYR A 50 -4.003 -17.747 1.713 1.00 52.40 O ATOM 644 CB TYR A 50 -5.049 -15.692 4.372 1.00 21.00 C ATOM 645 CG TYR A 50 -4.699 -15.421 5.817 1.00 13.30 C ATOM 646 CD1 TYR A 50 -3.776 -14.435 6.154 1.00 0.15 C ATOM 647 CD2 TYR A 50 -5.301 -16.131 6.845 1.00 1.43 C ATOM 648 CE1 TYR A 50 -3.453 -14.185 7.474 1.00 35.40 C ATOM 649 CE2 TYR A 50 -4.985 -15.884 8.167 1.00 5.33 C ATOM 650 CZ TYR A 50 -4.060 -14.911 8.477 1.00 43.30 C ATOM 651 OH TYR A 50 -3.746 -14.655 9.791 1.00 15.20 O ATOM 0 H TYR A 50 -3.213 -14.258 3.098 1.00 64.10 H new ATOM 0 HA TYR A 50 -3.416 -17.052 4.056 1.00 54.20 H new ATOM 0 HB2 TYR A 50 -5.430 -14.776 3.921 1.00 21.00 H new ATOM 0 HB3 TYR A 50 -5.854 -16.426 4.333 1.00 21.00 H new ATOM 0 HD1 TYR A 50 -3.306 -13.857 5.372 1.00 0.15 H new ATOM 0 HD2 TYR A 50 -6.030 -16.891 6.608 1.00 1.43 H new ATOM 0 HE1 TYR A 50 -2.728 -13.424 7.719 1.00 35.40 H new ATOM 0 HE2 TYR A 50 -5.461 -16.451 8.954 1.00 5.33 H new ATOM 0 HH TYR A 50 -4.261 -15.252 10.373 1.00 15.20 H new ATOM 661 N GLU A 51 -5.166 -15.832 1.528 1.00 42.20 N ATOM 662 CA GLU A 51 -5.691 -16.159 0.216 1.00 3.51 C ATOM 663 C GLU A 51 -4.647 -15.927 -0.870 1.00 34.10 C ATOM 664 O GLU A 51 -4.642 -14.884 -1.529 1.00 54.10 O ATOM 665 CB GLU A 51 -6.944 -15.314 -0.077 1.00 51.40 C ATOM 666 CG GLU A 51 -7.832 -15.896 -1.160 1.00 61.20 C ATOM 667 CD GLU A 51 -9.055 -16.600 -0.600 1.00 51.40 C ATOM 668 OE1 GLU A 51 -10.064 -15.921 -0.352 1.00 42.30 O ATOM 669 OE2 GLU A 51 -8.993 -17.831 -0.403 1.00 21.40 O ATOM 0 H GLU A 51 -5.470 -14.930 1.895 1.00 42.20 H new ATOM 0 HA GLU A 51 -5.957 -17.216 0.214 1.00 3.51 H new ATOM 0 HB2 GLU A 51 -7.524 -15.211 0.840 1.00 51.40 H new ATOM 0 HB3 GLU A 51 -6.634 -14.312 -0.373 1.00 51.40 H new ATOM 0 HG2 GLU A 51 -8.152 -15.098 -1.829 1.00 61.20 H new ATOM 0 HG3 GLU A 51 -7.254 -16.601 -1.758 1.00 61.20 H new ATOM 676 N ALA A 52 -3.763 -16.898 -1.048 1.00 60.30 N ATOM 677 CA ALA A 52 -2.714 -16.804 -2.055 1.00 12.10 C ATOM 678 C ALA A 52 -2.938 -17.797 -3.182 1.00 72.30 C ATOM 679 O ALA A 52 -2.633 -18.990 -3.045 1.00 11.30 O ATOM 680 CB ALA A 52 -1.355 -17.024 -1.416 1.00 21.30 C ATOM 0 H ALA A 52 -3.751 -17.763 -0.507 1.00 60.30 H new ATOM 0 HA ALA A 52 -2.746 -15.803 -2.484 1.00 12.10 H new ATOM 0 HB1 ALA A 52 -0.579 -16.952 -2.178 1.00 21.30 H new ATOM 0 HB2 ALA A 52 -1.185 -16.266 -0.652 1.00 21.30 H new ATOM 0 HB3 ALA A 52 -1.324 -18.013 -0.959 1.00 21.30 H new ATOM 686 N GLN A 53 -3.466 -17.319 -4.300 1.00 65.20 N ATOM 687 CA GLN A 53 -3.732 -18.167 -5.455 1.00 3.35 C ATOM 688 C GLN A 53 -3.187 -17.535 -6.732 1.00 44.10 C ATOM 689 O GLN A 53 -3.377 -16.349 -6.981 1.00 71.50 O ATOM 690 CB GLN A 53 -5.238 -18.410 -5.599 1.00 34.10 C ATOM 691 CG GLN A 53 -5.600 -19.318 -6.763 1.00 73.30 C ATOM 692 CD GLN A 53 -7.058 -19.218 -7.149 1.00 44.30 C ATOM 693 OE1 GLN A 53 -7.545 -18.142 -7.504 1.00 72.10 O ATOM 694 NE2 GLN A 53 -7.765 -20.337 -7.081 1.00 24.30 N ATOM 0 H GLN A 53 -3.721 -16.340 -4.433 1.00 65.20 H new ATOM 0 HA GLN A 53 -3.228 -19.120 -5.297 1.00 3.35 H new ATOM 0 HB2 GLN A 53 -5.617 -18.849 -4.676 1.00 34.10 H new ATOM 0 HB3 GLN A 53 -5.742 -17.452 -5.727 1.00 34.10 H new ATOM 0 HG2 GLN A 53 -4.982 -19.062 -7.624 1.00 73.30 H new ATOM 0 HG3 GLN A 53 -5.368 -20.350 -6.499 1.00 73.30 H new ATOM 0 HE21 GLN A 53 -7.319 -21.204 -6.782 1.00 24.30 H new ATOM 0 HE22 GLN A 53 -8.755 -20.331 -7.328 1.00 24.30 H new ATOM 703 N GLY A 54 -2.497 -18.343 -7.534 1.00 22.30 N ATOM 704 CA GLY A 54 -1.933 -17.845 -8.776 1.00 22.50 C ATOM 705 C GLY A 54 -0.742 -16.924 -8.542 1.00 4.02 C ATOM 706 O GLY A 54 -0.837 -15.959 -7.793 1.00 22.40 O ATOM 0 H GLY A 54 -2.319 -19.330 -7.346 1.00 22.30 H new ATOM 0 HA2 GLY A 54 -1.622 -18.687 -9.395 1.00 22.50 H new ATOM 0 HA3 GLY A 54 -2.701 -17.308 -9.332 1.00 22.50 H new ATOM 710 N ASP A 55 0.374 -17.242 -9.196 1.00 31.40 N ATOM 711 CA ASP A 55 1.585 -16.430 -9.057 1.00 31.20 C ATOM 712 C ASP A 55 1.356 -15.024 -9.578 1.00 63.20 C ATOM 713 O ASP A 55 1.951 -14.067 -9.079 1.00 42.40 O ATOM 714 CB ASP A 55 2.747 -17.089 -9.814 1.00 34.10 C ATOM 715 CG ASP A 55 2.876 -18.570 -9.505 1.00 54.30 C ATOM 716 OD1 ASP A 55 2.721 -18.936 -8.323 1.00 15.10 O ATOM 717 OD2 ASP A 55 3.131 -19.346 -10.443 1.00 34.30 O ATOM 0 H ASP A 55 0.467 -18.044 -9.819 1.00 31.40 H new ATOM 0 HA ASP A 55 1.836 -16.366 -7.998 1.00 31.20 H new ATOM 0 HB2 ASP A 55 2.600 -16.956 -10.886 1.00 34.10 H new ATOM 0 HB3 ASP A 55 3.678 -16.585 -9.555 1.00 34.10 H new ATOM 722 N LYS A 56 0.493 -14.894 -10.578 1.00 74.10 N ATOM 723 CA LYS A 56 0.188 -13.586 -11.162 1.00 73.30 C ATOM 724 C LYS A 56 -0.403 -12.645 -10.117 1.00 51.40 C ATOM 725 O LYS A 56 -0.134 -11.449 -10.129 1.00 60.50 O ATOM 726 CB LYS A 56 -0.787 -13.747 -12.329 1.00 22.20 C ATOM 727 CG LYS A 56 -0.214 -14.527 -13.505 1.00 62.30 C ATOM 728 CD LYS A 56 -1.131 -14.460 -14.714 1.00 53.50 C ATOM 729 CE LYS A 56 -0.903 -15.652 -15.639 1.00 52.20 C ATOM 730 NZ LYS A 56 -1.689 -15.524 -16.904 1.00 53.10 N ATOM 0 H LYS A 56 -0.009 -15.674 -11.003 1.00 74.10 H new ATOM 0 HA LYS A 56 1.118 -13.151 -11.527 1.00 73.30 H new ATOM 0 HB2 LYS A 56 -1.685 -14.252 -11.973 1.00 22.20 H new ATOM 0 HB3 LYS A 56 -1.092 -12.759 -12.674 1.00 22.20 H new ATOM 0 HG2 LYS A 56 0.765 -14.126 -13.767 1.00 62.30 H new ATOM 0 HG3 LYS A 56 -0.066 -15.567 -13.216 1.00 62.30 H new ATOM 0 HD2 LYS A 56 -2.170 -14.443 -14.386 1.00 53.50 H new ATOM 0 HD3 LYS A 56 -0.953 -13.533 -15.259 1.00 53.50 H new ATOM 0 HE2 LYS A 56 0.158 -15.732 -15.876 1.00 52.20 H new ATOM 0 HE3 LYS A 56 -1.185 -16.571 -15.126 1.00 52.20 H new ATOM 0 HZ1 LYS A 56 -1.510 -16.351 -17.509 1.00 53.10 H new ATOM 0 HZ2 LYS A 56 -2.703 -15.472 -16.679 1.00 53.10 H new ATOM 0 HZ3 LYS A 56 -1.401 -14.660 -17.406 1.00 53.10 H new ATOM 744 N ALA A 57 -1.200 -13.203 -9.212 1.00 34.10 N ATOM 745 CA ALA A 57 -1.824 -12.413 -8.158 1.00 32.50 C ATOM 746 C ALA A 57 -0.780 -11.777 -7.258 1.00 33.00 C ATOM 747 O ALA A 57 -0.812 -10.573 -7.008 1.00 15.10 O ATOM 748 CB ALA A 57 -2.771 -13.275 -7.340 1.00 41.00 C ATOM 0 H ALA A 57 -1.428 -14.197 -9.187 1.00 34.10 H new ATOM 0 HA ALA A 57 -2.395 -11.613 -8.631 1.00 32.50 H new ATOM 0 HB1 ALA A 57 -3.229 -12.670 -6.557 1.00 41.00 H new ATOM 0 HB2 ALA A 57 -3.549 -13.678 -7.989 1.00 41.00 H new ATOM 0 HB3 ALA A 57 -2.216 -14.096 -6.886 1.00 41.00 H new ATOM 754 N LYS A 58 0.148 -12.591 -6.770 1.00 23.20 N ATOM 755 CA LYS A 58 1.208 -12.106 -5.893 1.00 42.20 C ATOM 756 C LYS A 58 2.063 -11.058 -6.602 1.00 1.24 C ATOM 757 O LYS A 58 2.531 -10.101 -5.983 1.00 32.20 O ATOM 758 CB LYS A 58 2.086 -13.271 -5.425 1.00 1.54 C ATOM 759 CG LYS A 58 1.519 -14.008 -4.226 1.00 22.30 C ATOM 760 CD LYS A 58 2.361 -15.234 -3.882 1.00 75.20 C ATOM 761 CE LYS A 58 1.584 -16.210 -3.018 1.00 4.12 C ATOM 762 NZ LYS A 58 2.425 -17.375 -2.608 1.00 10.40 N ATOM 0 H LYS A 58 0.189 -13.591 -6.967 1.00 23.20 H new ATOM 0 HA LYS A 58 0.743 -11.641 -5.024 1.00 42.20 H new ATOM 0 HB2 LYS A 58 2.213 -13.974 -6.248 1.00 1.54 H new ATOM 0 HB3 LYS A 58 3.077 -12.892 -5.174 1.00 1.54 H new ATOM 0 HG2 LYS A 58 1.482 -13.337 -3.368 1.00 22.30 H new ATOM 0 HG3 LYS A 58 0.494 -14.315 -4.436 1.00 22.30 H new ATOM 0 HD2 LYS A 58 2.678 -15.730 -4.800 1.00 75.20 H new ATOM 0 HD3 LYS A 58 3.265 -14.922 -3.359 1.00 75.20 H new ATOM 0 HE2 LYS A 58 1.216 -15.697 -2.130 1.00 4.12 H new ATOM 0 HE3 LYS A 58 0.711 -16.566 -3.565 1.00 4.12 H new ATOM 0 HZ1 LYS A 58 1.861 -18.020 -2.019 1.00 10.40 H new ATOM 0 HZ2 LYS A 58 2.756 -17.879 -3.455 1.00 10.40 H new ATOM 0 HZ3 LYS A 58 3.245 -17.037 -2.064 1.00 10.40 H new ATOM 776 N GLN A 59 2.263 -11.249 -7.902 1.00 34.30 N ATOM 777 CA GLN A 59 3.063 -10.323 -8.694 1.00 3.10 C ATOM 778 C GLN A 59 2.356 -8.982 -8.839 1.00 10.20 C ATOM 779 O GLN A 59 2.998 -7.935 -8.923 1.00 43.20 O ATOM 780 CB GLN A 59 3.346 -10.914 -10.076 1.00 75.10 C ATOM 781 CG GLN A 59 4.437 -10.178 -10.840 1.00 63.00 C ATOM 782 CD GLN A 59 5.810 -10.383 -10.235 1.00 12.20 C ATOM 783 OE1 GLN A 59 6.539 -11.300 -10.622 1.00 13.20 O ATOM 784 NE2 GLN A 59 6.172 -9.534 -9.282 1.00 70.30 N ATOM 0 H GLN A 59 1.883 -12.036 -8.428 1.00 34.30 H new ATOM 0 HA GLN A 59 4.008 -10.162 -8.174 1.00 3.10 H new ATOM 0 HB2 GLN A 59 3.634 -11.959 -9.963 1.00 75.10 H new ATOM 0 HB3 GLN A 59 2.428 -10.898 -10.664 1.00 75.10 H new ATOM 0 HG2 GLN A 59 4.445 -10.520 -11.875 1.00 63.00 H new ATOM 0 HG3 GLN A 59 4.207 -9.113 -10.858 1.00 63.00 H new ATOM 0 HE21 GLN A 59 5.537 -8.790 -8.993 1.00 70.30 H new ATOM 0 HE22 GLN A 59 7.086 -9.625 -8.838 1.00 70.30 H new ATOM 793 N SER A 60 1.027 -9.019 -8.871 1.00 15.30 N ATOM 794 CA SER A 60 0.232 -7.804 -9.005 1.00 22.20 C ATOM 795 C SER A 60 0.202 -7.024 -7.695 1.00 63.20 C ATOM 796 O SER A 60 0.538 -5.840 -7.659 1.00 13.40 O ATOM 797 CB SER A 60 -1.195 -8.150 -9.438 1.00 43.10 C ATOM 798 OG SER A 60 -1.704 -7.180 -10.337 1.00 35.30 O ATOM 0 H SER A 60 0.479 -9.877 -8.806 1.00 15.30 H new ATOM 0 HA SER A 60 0.696 -7.179 -9.768 1.00 22.20 H new ATOM 0 HB2 SER A 60 -1.207 -9.131 -9.912 1.00 43.10 H new ATOM 0 HB3 SER A 60 -1.840 -8.212 -8.561 1.00 43.10 H new ATOM 0 HG SER A 60 -1.134 -7.141 -11.133 1.00 35.30 H new ATOM 804 N ILE A 61 -0.201 -7.695 -6.621 1.00 65.30 N ATOM 805 CA ILE A 61 -0.273 -7.063 -5.309 1.00 44.20 C ATOM 806 C ILE A 61 1.090 -6.539 -4.875 1.00 54.10 C ATOM 807 O ILE A 61 1.191 -5.474 -4.264 1.00 61.50 O ATOM 808 CB ILE A 61 -0.796 -8.045 -4.242 1.00 41.40 C ATOM 809 CG1 ILE A 61 0.055 -9.316 -4.225 1.00 43.20 C ATOM 810 CG2 ILE A 61 -2.256 -8.381 -4.502 1.00 40.30 C ATOM 811 CD1 ILE A 61 1.115 -9.320 -3.144 1.00 53.20 C ATOM 0 H ILE A 61 -0.482 -8.675 -6.633 1.00 65.30 H new ATOM 0 HA ILE A 61 -0.968 -6.228 -5.398 1.00 44.20 H new ATOM 0 HB ILE A 61 -0.722 -7.569 -3.264 1.00 41.40 H new ATOM 0 HG12 ILE A 61 -0.597 -10.178 -4.086 1.00 43.20 H new ATOM 0 HG13 ILE A 61 0.537 -9.434 -5.196 1.00 43.20 H new ATOM 0 HG21 ILE A 61 -2.611 -9.075 -3.740 1.00 40.30 H new ATOM 0 HG22 ILE A 61 -2.851 -7.469 -4.467 1.00 40.30 H new ATOM 0 HG23 ILE A 61 -2.354 -8.840 -5.486 1.00 40.30 H new ATOM 0 HD11 ILE A 61 1.680 -10.251 -3.192 1.00 53.20 H new ATOM 0 HD12 ILE A 61 1.791 -8.478 -3.294 1.00 53.20 H new ATOM 0 HD13 ILE A 61 0.639 -9.234 -2.167 1.00 53.20 H new ATOM 823 N ARG A 62 2.138 -7.292 -5.194 1.00 60.50 N ATOM 824 CA ARG A 62 3.497 -6.901 -4.837 1.00 73.20 C ATOM 825 C ARG A 62 3.910 -5.633 -5.576 1.00 44.30 C ATOM 826 O ARG A 62 4.346 -4.658 -4.963 1.00 24.00 O ATOM 827 CB ARG A 62 4.474 -8.028 -5.156 1.00 35.10 C ATOM 828 CG ARG A 62 4.599 -9.054 -4.042 1.00 44.50 C ATOM 829 CD ARG A 62 6.037 -9.513 -3.867 1.00 73.00 C ATOM 830 NE ARG A 62 6.374 -10.615 -4.767 1.00 13.40 N ATOM 831 CZ ARG A 62 7.620 -10.968 -5.076 1.00 54.30 C ATOM 832 NH1 ARG A 62 8.651 -10.309 -4.560 1.00 0.53 N ATOM 833 NH2 ARG A 62 7.837 -11.979 -5.903 1.00 22.30 N ATOM 0 H ARG A 62 2.072 -8.176 -5.699 1.00 60.50 H new ATOM 0 HA ARG A 62 3.520 -6.701 -3.766 1.00 73.20 H new ATOM 0 HB2 ARG A 62 4.152 -8.531 -6.068 1.00 35.10 H new ATOM 0 HB3 ARG A 62 5.456 -7.601 -5.358 1.00 35.10 H new ATOM 0 HG2 ARG A 62 4.237 -8.625 -3.108 1.00 44.50 H new ATOM 0 HG3 ARG A 62 3.966 -9.913 -4.264 1.00 44.50 H new ATOM 0 HD2 ARG A 62 6.710 -8.676 -4.052 1.00 73.00 H new ATOM 0 HD3 ARG A 62 6.194 -9.827 -2.835 1.00 73.00 H new ATOM 0 HE ARG A 62 5.608 -11.145 -5.183 1.00 13.40 H new ATOM 0 HH11 ARG A 62 8.490 -9.528 -3.924 1.00 0.53 H new ATOM 0 HH12 ARG A 62 9.604 -10.584 -4.800 1.00 0.53 H new ATOM 0 HH21 ARG A 62 7.049 -12.488 -6.304 1.00 22.30 H new ATOM 0 HH22 ARG A 62 8.792 -12.249 -6.139 1.00 22.30 H new ATOM 847 N ALA A 63 3.771 -5.652 -6.897 1.00 24.10 N ATOM 848 CA ALA A 63 4.130 -4.503 -7.721 1.00 45.20 C ATOM 849 C ALA A 63 3.319 -3.272 -7.329 1.00 33.20 C ATOM 850 O ALA A 63 3.803 -2.145 -7.415 1.00 51.20 O ATOM 851 CB ALA A 63 3.924 -4.825 -9.194 1.00 71.10 C ATOM 0 H ALA A 63 3.412 -6.450 -7.421 1.00 24.10 H new ATOM 0 HA ALA A 63 5.184 -4.281 -7.552 1.00 45.20 H new ATOM 0 HB1 ALA A 63 4.196 -3.959 -9.797 1.00 71.10 H new ATOM 0 HB2 ALA A 63 4.551 -5.672 -9.472 1.00 71.10 H new ATOM 0 HB3 ALA A 63 2.878 -5.075 -9.369 1.00 71.10 H new ATOM 857 N LYS A 64 2.082 -3.498 -6.896 1.00 55.40 N ATOM 858 CA LYS A 64 1.204 -2.407 -6.490 1.00 43.50 C ATOM 859 C LYS A 64 1.547 -1.928 -5.083 1.00 31.20 C ATOM 860 O LYS A 64 1.403 -0.748 -4.766 1.00 42.40 O ATOM 861 CB LYS A 64 -0.258 -2.853 -6.549 1.00 53.40 C ATOM 862 CG LYS A 64 -0.928 -2.572 -7.884 1.00 13.10 C ATOM 863 CD LYS A 64 -0.903 -3.795 -8.788 1.00 21.40 C ATOM 864 CE LYS A 64 -1.768 -3.592 -10.021 1.00 12.30 C ATOM 865 NZ LYS A 64 -1.500 -4.621 -11.063 1.00 1.35 N ATOM 0 H LYS A 64 1.666 -4.426 -6.818 1.00 55.40 H new ATOM 0 HA LYS A 64 1.351 -1.578 -7.182 1.00 43.50 H new ATOM 0 HB2 LYS A 64 -0.311 -3.922 -6.343 1.00 53.40 H new ATOM 0 HB3 LYS A 64 -0.815 -2.348 -5.759 1.00 53.40 H new ATOM 0 HG2 LYS A 64 -1.960 -2.263 -7.717 1.00 13.10 H new ATOM 0 HG3 LYS A 64 -0.423 -1.742 -8.378 1.00 13.10 H new ATOM 0 HD2 LYS A 64 0.123 -4.004 -9.092 1.00 21.40 H new ATOM 0 HD3 LYS A 64 -1.255 -4.666 -8.234 1.00 21.40 H new ATOM 0 HE2 LYS A 64 -2.820 -3.629 -9.737 1.00 12.30 H new ATOM 0 HE3 LYS A 64 -1.584 -2.600 -10.434 1.00 12.30 H new ATOM 0 HZ1 LYS A 64 -1.951 -4.337 -11.956 1.00 1.35 H new ATOM 0 HZ2 LYS A 64 -0.474 -4.710 -11.207 1.00 1.35 H new ATOM 0 HZ3 LYS A 64 -1.887 -5.536 -10.755 1.00 1.35 H new ATOM 879 N CYS A 65 2.000 -2.853 -4.243 1.00 53.30 N ATOM 880 CA CYS A 65 2.364 -2.524 -2.869 1.00 20.40 C ATOM 881 C CYS A 65 3.658 -1.720 -2.827 1.00 64.20 C ATOM 882 O CYS A 65 3.830 -0.846 -1.978 1.00 32.20 O ATOM 883 CB CYS A 65 2.514 -3.801 -2.040 1.00 4.11 C ATOM 884 SG CYS A 65 0.945 -4.524 -1.506 1.00 43.20 S ATOM 0 H CYS A 65 2.124 -3.835 -4.489 1.00 53.30 H new ATOM 0 HA CYS A 65 1.566 -1.915 -2.443 1.00 20.40 H new ATOM 0 HB2 CYS A 65 3.061 -4.539 -2.626 1.00 4.11 H new ATOM 0 HB3 CYS A 65 3.118 -3.581 -1.160 1.00 4.11 H new ATOM 0 HG CYS A 65 0.442 -5.232 -2.473 1.00 43.20 H new ATOM 890 N THR A 66 4.567 -2.024 -3.749 1.00 32.20 N ATOM 891 CA THR A 66 5.848 -1.328 -3.816 1.00 35.20 C ATOM 892 C THR A 66 5.667 0.096 -4.328 1.00 31.20 C ATOM 893 O THR A 66 6.265 1.036 -3.803 1.00 1.12 O ATOM 894 CB THR A 66 6.817 -2.090 -4.722 1.00 64.00 C ATOM 895 OG1 THR A 66 6.979 -3.424 -4.275 1.00 11.30 O ATOM 896 CG2 THR A 66 8.191 -1.459 -4.792 1.00 72.10 C ATOM 0 H THR A 66 4.441 -2.746 -4.458 1.00 32.20 H new ATOM 0 HA THR A 66 6.262 -1.282 -2.809 1.00 35.20 H new ATOM 0 HB THR A 66 6.369 -2.059 -5.715 1.00 64.00 H new ATOM 0 HG1 THR A 66 6.159 -3.930 -4.452 1.00 11.30 H new ATOM 0 HG21 THR A 66 8.829 -2.048 -5.451 1.00 72.10 H new ATOM 0 HG22 THR A 66 8.106 -0.445 -5.181 1.00 72.10 H new ATOM 0 HG23 THR A 66 8.629 -1.429 -3.794 1.00 72.10 H new ATOM 904 N GLU A 67 4.839 0.249 -5.357 1.00 12.00 N ATOM 905 CA GLU A 67 4.579 1.560 -5.941 1.00 15.10 C ATOM 906 C GLU A 67 3.919 2.486 -4.924 1.00 75.30 C ATOM 907 O GLU A 67 4.390 3.598 -4.685 1.00 64.40 O ATOM 908 CB GLU A 67 3.690 1.424 -7.177 1.00 24.20 C ATOM 909 CG GLU A 67 3.883 2.538 -8.191 1.00 71.30 C ATOM 910 CD GLU A 67 3.714 3.916 -7.582 1.00 53.10 C ATOM 911 OE1 GLU A 67 2.752 4.110 -6.809 1.00 63.20 O ATOM 912 OE2 GLU A 67 4.542 4.802 -7.879 1.00 43.30 O ATOM 0 H GLU A 67 4.337 -0.519 -5.803 1.00 12.00 H new ATOM 0 HA GLU A 67 5.534 1.995 -6.236 1.00 15.10 H new ATOM 0 HB2 GLU A 67 3.894 0.467 -7.658 1.00 24.20 H new ATOM 0 HB3 GLU A 67 2.646 1.407 -6.863 1.00 24.20 H new ATOM 0 HG2 GLU A 67 4.878 2.458 -8.629 1.00 71.30 H new ATOM 0 HG3 GLU A 67 3.167 2.413 -9.003 1.00 71.30 H new ATOM 919 N TYR A 68 2.825 2.021 -4.329 1.00 50.20 N ATOM 920 CA TYR A 68 2.100 2.808 -3.339 1.00 61.30 C ATOM 921 C TYR A 68 2.971 3.078 -2.116 1.00 14.20 C ATOM 922 O TYR A 68 2.962 4.180 -1.567 1.00 35.20 O ATOM 923 CB TYR A 68 0.821 2.083 -2.918 1.00 2.12 C ATOM 924 CG TYR A 68 -0.178 1.915 -4.041 1.00 43.40 C ATOM 925 CD1 TYR A 68 -0.442 2.955 -4.923 1.00 53.30 C ATOM 926 CD2 TYR A 68 -0.856 0.714 -4.219 1.00 25.20 C ATOM 927 CE1 TYR A 68 -1.355 2.804 -5.950 1.00 1.12 C ATOM 928 CE2 TYR A 68 -1.769 0.557 -5.244 1.00 35.30 C ATOM 929 CZ TYR A 68 -2.015 1.604 -6.106 1.00 64.40 C ATOM 930 OH TYR A 68 -2.923 1.450 -7.128 1.00 3.23 O ATOM 0 H TYR A 68 2.421 1.103 -4.516 1.00 50.20 H new ATOM 0 HA TYR A 68 1.835 3.763 -3.793 1.00 61.30 H new ATOM 0 HB2 TYR A 68 1.083 1.100 -2.526 1.00 2.12 H new ATOM 0 HB3 TYR A 68 0.351 2.636 -2.105 1.00 2.12 H new ATOM 0 HD1 TYR A 68 0.074 3.896 -4.805 1.00 53.30 H new ATOM 0 HD2 TYR A 68 -0.666 -0.109 -3.546 1.00 25.20 H new ATOM 0 HE1 TYR A 68 -1.550 3.623 -6.627 1.00 1.12 H new ATOM 0 HE2 TYR A 68 -2.288 -0.382 -5.369 1.00 35.30 H new ATOM 0 HH TYR A 68 -3.298 0.545 -7.099 1.00 3.23 H new ATOM 940 N LEU A 69 3.721 2.066 -1.695 1.00 73.30 N ATOM 941 CA LEU A 69 4.598 2.194 -0.537 1.00 63.40 C ATOM 942 C LEU A 69 5.639 3.286 -0.761 1.00 53.20 C ATOM 943 O LEU A 69 5.986 4.026 0.159 1.00 60.00 O ATOM 944 CB LEU A 69 5.294 0.862 -0.247 1.00 72.20 C ATOM 945 CG LEU A 69 4.479 -0.124 0.592 1.00 10.40 C ATOM 946 CD1 LEU A 69 5.007 -1.538 0.413 1.00 34.10 C ATOM 947 CD2 LEU A 69 4.504 0.277 2.059 1.00 21.40 C ATOM 0 H LEU A 69 3.739 1.148 -2.138 1.00 73.30 H new ATOM 0 HA LEU A 69 3.986 2.471 0.321 1.00 63.40 H new ATOM 0 HB2 LEU A 69 5.546 0.387 -1.195 1.00 72.20 H new ATOM 0 HB3 LEU A 69 6.233 1.064 0.268 1.00 72.20 H new ATOM 0 HG LEU A 69 3.445 -0.098 0.248 1.00 10.40 H new ATOM 0 HD11 LEU A 69 4.416 -2.226 1.017 1.00 34.10 H new ATOM 0 HD12 LEU A 69 4.936 -1.823 -0.637 1.00 34.10 H new ATOM 0 HD13 LEU A 69 6.049 -1.580 0.730 1.00 34.10 H new ATOM 0 HD21 LEU A 69 3.919 -0.435 2.641 1.00 21.40 H new ATOM 0 HD22 LEU A 69 5.533 0.280 2.418 1.00 21.40 H new ATOM 0 HD23 LEU A 69 4.077 1.274 2.171 1.00 21.40 H new ATOM 959 N ASP A 70 6.135 3.381 -1.991 1.00 44.40 N ATOM 960 CA ASP A 70 7.136 4.383 -2.337 1.00 42.50 C ATOM 961 C ASP A 70 6.578 5.792 -2.166 1.00 22.20 C ATOM 962 O ASP A 70 7.258 6.682 -1.657 1.00 12.20 O ATOM 963 CB ASP A 70 7.613 4.182 -3.776 1.00 62.10 C ATOM 964 CG ASP A 70 9.092 4.472 -3.941 1.00 1.30 C ATOM 965 OD1 ASP A 70 9.467 5.664 -3.935 1.00 61.20 O ATOM 966 OD2 ASP A 70 9.875 3.509 -4.076 1.00 3.24 O ATOM 0 H ASP A 70 5.860 2.776 -2.764 1.00 44.40 H new ATOM 0 HA ASP A 70 7.982 4.263 -1.661 1.00 42.50 H new ATOM 0 HB2 ASP A 70 7.410 3.156 -4.083 1.00 62.10 H new ATOM 0 HB3 ASP A 70 7.042 4.832 -4.439 1.00 62.10 H new ATOM 971 N ARG A 71 5.335 5.986 -2.594 1.00 60.40 N ATOM 972 CA ARG A 71 4.685 7.287 -2.488 1.00 0.13 C ATOM 973 C ARG A 71 4.381 7.626 -1.033 1.00 5.32 C ATOM 974 O ARG A 71 4.557 8.765 -0.601 1.00 10.20 O ATOM 975 CB ARG A 71 3.394 7.303 -3.309 1.00 74.30 C ATOM 976 CG ARG A 71 3.593 7.744 -4.749 1.00 3.41 C ATOM 977 CD ARG A 71 2.284 8.180 -5.385 1.00 52.30 C ATOM 978 NE ARG A 71 2.476 9.257 -6.354 1.00 24.00 N ATOM 979 CZ ARG A 71 2.902 10.476 -6.030 1.00 42.20 C ATOM 980 NH1 ARG A 71 3.179 10.778 -4.769 1.00 2.22 N ATOM 981 NH2 ARG A 71 3.049 11.397 -6.974 1.00 63.50 N ATOM 0 H ARG A 71 4.758 5.259 -3.017 1.00 60.40 H new ATOM 0 HA ARG A 71 5.367 8.040 -2.882 1.00 0.13 H new ATOM 0 HB2 ARG A 71 2.956 6.305 -3.301 1.00 74.30 H new ATOM 0 HB3 ARG A 71 2.677 7.970 -2.830 1.00 74.30 H new ATOM 0 HG2 ARG A 71 4.307 8.567 -4.783 1.00 3.41 H new ATOM 0 HG3 ARG A 71 4.023 6.925 -5.325 1.00 3.41 H new ATOM 0 HD2 ARG A 71 1.820 7.327 -5.879 1.00 52.30 H new ATOM 0 HD3 ARG A 71 1.596 8.511 -4.607 1.00 52.30 H new ATOM 0 HE ARG A 71 2.272 9.064 -7.335 1.00 24.00 H new ATOM 0 HH11 ARG A 71 3.066 10.074 -4.039 1.00 2.22 H new ATOM 0 HH12 ARG A 71 3.505 11.714 -4.529 1.00 2.22 H new ATOM 0 HH21 ARG A 71 2.836 11.170 -7.945 1.00 63.50 H new ATOM 0 HH22 ARG A 71 3.375 12.332 -6.728 1.00 63.50 H new ATOM 995 N ALA A 72 3.924 6.630 -0.281 1.00 2.32 N ATOM 996 CA ALA A 72 3.595 6.823 1.126 1.00 61.00 C ATOM 997 C ALA A 72 4.815 7.288 1.915 1.00 72.10 C ATOM 998 O ALA A 72 4.702 8.114 2.821 1.00 60.20 O ATOM 999 CB ALA A 72 3.040 5.537 1.718 1.00 1.42 C ATOM 0 H ALA A 72 3.773 5.681 -0.623 1.00 2.32 H new ATOM 0 HA ALA A 72 2.833 7.600 1.194 1.00 61.00 H new ATOM 0 HB1 ALA A 72 2.798 5.695 2.769 1.00 1.42 H new ATOM 0 HB2 ALA A 72 2.139 5.247 1.178 1.00 1.42 H new ATOM 0 HB3 ALA A 72 3.785 4.746 1.632 1.00 1.42 H new ATOM 1005 N GLU A 73 5.980 6.752 1.566 1.00 75.40 N ATOM 1006 CA GLU A 73 7.221 7.113 2.241 1.00 61.20 C ATOM 1007 C GLU A 73 7.746 8.452 1.735 1.00 40.20 C ATOM 1008 O GLU A 73 8.282 9.251 2.504 1.00 24.30 O ATOM 1009 CB GLU A 73 8.275 6.026 2.029 1.00 72.30 C ATOM 1010 CG GLU A 73 9.342 5.995 3.111 1.00 34.20 C ATOM 1011 CD GLU A 73 10.725 5.715 2.557 1.00 0.53 C ATOM 1012 OE1 GLU A 73 11.023 6.186 1.439 1.00 32.10 O ATOM 1013 OE2 GLU A 73 11.511 5.026 3.241 1.00 53.40 O ATOM 0 H GLU A 73 6.090 6.066 0.819 1.00 75.40 H new ATOM 0 HA GLU A 73 7.012 7.205 3.307 1.00 61.20 H new ATOM 0 HB2 GLU A 73 7.781 5.055 1.989 1.00 72.30 H new ATOM 0 HB3 GLU A 73 8.754 6.180 1.062 1.00 72.30 H new ATOM 0 HG2 GLU A 73 9.351 6.951 3.635 1.00 34.20 H new ATOM 0 HG3 GLU A 73 9.087 5.231 3.846 1.00 34.20 H new ATOM 1020 N LYS A 74 7.587 8.693 0.438 1.00 1.14 N ATOM 1021 CA LYS A 74 8.046 9.935 -0.171 1.00 21.10 C ATOM 1022 C LYS A 74 7.219 11.119 0.320 1.00 23.40 C ATOM 1023 O LYS A 74 7.764 12.150 0.715 1.00 72.30 O ATOM 1024 CB LYS A 74 7.968 9.841 -1.696 1.00 30.10 C ATOM 1025 CG LYS A 74 9.034 10.654 -2.411 1.00 61.00 C ATOM 1026 CD LYS A 74 9.489 9.972 -3.691 1.00 24.00 C ATOM 1027 CE LYS A 74 10.495 10.820 -4.439 1.00 41.40 C ATOM 1028 NZ LYS A 74 11.616 11.262 -3.566 1.00 72.20 N ATOM 0 H LYS A 74 7.143 8.044 -0.212 1.00 1.14 H new ATOM 0 HA LYS A 74 9.084 10.092 0.123 1.00 21.10 H new ATOM 0 HB2 LYS A 74 8.060 8.796 -1.992 1.00 30.10 H new ATOM 0 HB3 LYS A 74 6.985 10.179 -2.023 1.00 30.10 H new ATOM 0 HG2 LYS A 74 8.643 11.644 -2.644 1.00 61.00 H new ATOM 0 HG3 LYS A 74 9.889 10.797 -1.750 1.00 61.00 H new ATOM 0 HD2 LYS A 74 9.931 9.005 -3.453 1.00 24.00 H new ATOM 0 HD3 LYS A 74 8.627 9.779 -4.329 1.00 24.00 H new ATOM 0 HE2 LYS A 74 10.893 10.252 -5.279 1.00 41.40 H new ATOM 0 HE3 LYS A 74 9.994 11.694 -4.854 1.00 41.40 H new ATOM 0 HZ1 LYS A 74 12.376 11.661 -4.153 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 11.274 11.986 -2.902 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 11.982 10.448 -3.032 1.00 72.20 H new ATOM 1042 N LEU A 75 5.899 10.964 0.293 1.00 60.20 N ATOM 1043 CA LEU A 75 4.996 12.020 0.735 1.00 12.40 C ATOM 1044 C LEU A 75 5.210 12.335 2.212 1.00 3.54 C ATOM 1045 O LEU A 75 5.192 13.497 2.617 1.00 52.10 O ATOM 1046 CB LEU A 75 3.541 11.610 0.494 1.00 2.14 C ATOM 1047 CG LEU A 75 3.167 11.384 -0.972 1.00 22.30 C ATOM 1048 CD1 LEU A 75 1.821 10.685 -1.077 1.00 74.40 C ATOM 1049 CD2 LEU A 75 3.144 12.706 -1.724 1.00 51.50 C ATOM 0 H LEU A 75 5.431 10.117 -0.030 1.00 60.20 H new ATOM 0 HA LEU A 75 5.214 12.917 0.155 1.00 12.40 H new ATOM 0 HB2 LEU A 75 3.341 10.694 1.050 1.00 2.14 H new ATOM 0 HB3 LEU A 75 2.889 12.381 0.905 1.00 2.14 H new ATOM 0 HG LEU A 75 3.922 10.743 -1.427 1.00 22.30 H new ATOM 0 HD11 LEU A 75 1.571 10.532 -2.127 1.00 74.40 H new ATOM 0 HD12 LEU A 75 1.872 9.720 -0.572 1.00 74.40 H new ATOM 0 HD13 LEU A 75 1.054 11.300 -0.607 1.00 74.40 H new ATOM 0 HD21 LEU A 75 2.876 12.528 -2.765 1.00 51.50 H new ATOM 0 HD22 LEU A 75 2.409 13.371 -1.269 1.00 51.50 H new ATOM 0 HD23 LEU A 75 4.130 13.169 -1.677 1.00 51.50 H new ATOM 1061 N LYS A 76 5.412 11.292 3.011 1.00 3.30 N ATOM 1062 CA LYS A 76 5.630 11.459 4.443 1.00 62.20 C ATOM 1063 C LYS A 76 6.863 12.315 4.710 1.00 43.10 C ATOM 1064 O LYS A 76 6.891 13.102 5.656 1.00 61.10 O ATOM 1065 CB LYS A 76 5.785 10.094 5.119 1.00 12.20 C ATOM 1066 CG LYS A 76 5.431 10.104 6.597 1.00 34.20 C ATOM 1067 CD LYS A 76 6.076 8.939 7.330 1.00 45.10 C ATOM 1068 CE LYS A 76 6.493 9.330 8.739 1.00 42.40 C ATOM 1069 NZ LYS A 76 6.935 8.153 9.536 1.00 74.00 N ATOM 0 H LYS A 76 5.429 10.324 2.691 1.00 3.30 H new ATOM 0 HA LYS A 76 4.761 11.967 4.861 1.00 62.20 H new ATOM 0 HB2 LYS A 76 5.151 9.370 4.607 1.00 12.20 H new ATOM 0 HB3 LYS A 76 6.814 9.755 5.003 1.00 12.20 H new ATOM 0 HG2 LYS A 76 5.757 11.043 7.044 1.00 34.20 H new ATOM 0 HG3 LYS A 76 4.348 10.055 6.714 1.00 34.20 H new ATOM 0 HD2 LYS A 76 5.377 8.104 7.375 1.00 45.10 H new ATOM 0 HD3 LYS A 76 6.948 8.595 6.773 1.00 45.10 H new ATOM 0 HE2 LYS A 76 7.302 10.058 8.689 1.00 42.40 H new ATOM 0 HE3 LYS A 76 5.657 9.816 9.243 1.00 42.40 H new ATOM 0 HZ1 LYS A 76 7.211 8.463 10.490 1.00 74.00 H new ATOM 0 HZ2 LYS A 76 6.155 7.469 9.606 1.00 74.00 H new ATOM 0 HZ3 LYS A 76 7.749 7.704 9.070 1.00 74.00 H new ATOM 1083 N GLU A 77 7.880 12.156 3.870 1.00 44.40 N ATOM 1084 CA GLU A 77 9.116 12.916 4.014 1.00 35.10 C ATOM 1085 C GLU A 77 8.920 14.355 3.550 1.00 54.40 C ATOM 1086 O GLU A 77 9.172 15.300 4.298 1.00 12.10 O ATOM 1087 CB GLU A 77 10.241 12.259 3.212 1.00 21.00 C ATOM 1088 CG GLU A 77 11.015 11.213 3.996 1.00 15.20 C ATOM 1089 CD GLU A 77 10.143 10.058 4.448 1.00 11.30 C ATOM 1090 OE1 GLU A 77 9.164 10.306 5.182 1.00 20.20 O ATOM 1091 OE2 GLU A 77 10.439 8.906 4.065 1.00 53.10 O ATOM 0 H GLU A 77 7.873 11.508 3.082 1.00 44.40 H new ATOM 0 HA GLU A 77 9.390 12.924 5.069 1.00 35.10 H new ATOM 0 HB2 GLU A 77 9.818 11.794 2.322 1.00 21.00 H new ATOM 0 HB3 GLU A 77 10.932 13.030 2.871 1.00 21.00 H new ATOM 0 HG2 GLU A 77 11.828 10.830 3.379 1.00 15.20 H new ATOM 0 HG3 GLU A 77 11.471 11.682 4.868 1.00 15.20 H new ATOM 1098 N TYR A 78 8.465 14.512 2.313 1.00 24.40 N ATOM 1099 CA TYR A 78 8.227 15.833 1.745 1.00 34.30 C ATOM 1100 C TYR A 78 7.189 16.594 2.569 1.00 42.20 C ATOM 1101 O TYR A 78 7.242 17.819 2.674 1.00 54.50 O ATOM 1102 CB TYR A 78 7.773 15.698 0.283 1.00 32.20 C ATOM 1103 CG TYR A 78 6.805 16.770 -0.174 1.00 14.00 C ATOM 1104 CD1 TYR A 78 5.453 16.682 0.128 1.00 40.40 C ATOM 1105 CD2 TYR A 78 7.246 17.866 -0.905 1.00 61.20 C ATOM 1106 CE1 TYR A 78 4.565 17.656 -0.286 1.00 32.20 C ATOM 1107 CE2 TYR A 78 6.363 18.844 -1.323 1.00 45.10 C ATOM 1108 CZ TYR A 78 5.025 18.735 -1.011 1.00 22.20 C ATOM 1109 OH TYR A 78 4.143 19.706 -1.425 1.00 22.10 O ATOM 0 H TYR A 78 8.253 13.739 1.683 1.00 24.40 H new ATOM 0 HA TYR A 78 9.157 16.402 1.771 1.00 34.30 H new ATOM 0 HB2 TYR A 78 8.652 15.721 -0.361 1.00 32.20 H new ATOM 0 HB3 TYR A 78 7.305 14.723 0.149 1.00 32.20 H new ATOM 0 HD1 TYR A 78 5.089 15.838 0.696 1.00 40.40 H new ATOM 0 HD2 TYR A 78 8.294 17.955 -1.150 1.00 61.20 H new ATOM 0 HE1 TYR A 78 3.516 17.573 -0.043 1.00 32.20 H new ATOM 0 HE2 TYR A 78 6.720 19.690 -1.892 1.00 45.10 H new ATOM 0 HH TYR A 78 4.627 20.397 -1.923 1.00 22.10 H new ATOM 1119 N LEU A 79 6.248 15.858 3.150 1.00 34.30 N ATOM 1120 CA LEU A 79 5.200 16.462 3.964 1.00 1.24 C ATOM 1121 C LEU A 79 5.784 17.096 5.223 1.00 13.40 C ATOM 1122 O LEU A 79 5.417 18.210 5.596 1.00 62.20 O ATOM 1123 CB LEU A 79 4.153 15.414 4.346 1.00 1.34 C ATOM 1124 CG LEU A 79 3.092 15.139 3.280 1.00 22.40 C ATOM 1125 CD1 LEU A 79 2.500 13.749 3.461 1.00 4.21 C ATOM 1126 CD2 LEU A 79 2.000 16.196 3.332 1.00 14.50 C ATOM 0 H LEU A 79 6.190 14.843 3.072 1.00 34.30 H new ATOM 0 HA LEU A 79 4.723 17.244 3.373 1.00 1.24 H new ATOM 0 HB2 LEU A 79 4.664 14.480 4.577 1.00 1.34 H new ATOM 0 HB3 LEU A 79 3.653 15.738 5.259 1.00 1.34 H new ATOM 0 HG LEU A 79 3.568 15.183 2.300 1.00 22.40 H new ATOM 0 HD11 LEU A 79 1.747 13.571 2.693 1.00 4.21 H new ATOM 0 HD12 LEU A 79 3.290 13.003 3.374 1.00 4.21 H new ATOM 0 HD13 LEU A 79 2.039 13.675 4.446 1.00 4.21 H new ATOM 0 HD21 LEU A 79 1.253 15.985 2.567 1.00 14.50 H new ATOM 0 HD22 LEU A 79 1.527 16.183 4.314 1.00 14.50 H new ATOM 0 HD23 LEU A 79 2.436 17.179 3.153 1.00 14.50 H new ATOM 1138 N LYS A 80 6.697 16.379 5.870 1.00 14.20 N ATOM 1139 CA LYS A 80 7.332 16.872 7.087 1.00 64.10 C ATOM 1140 C LYS A 80 8.496 17.800 6.755 1.00 30.40 C ATOM 1141 O LYS A 80 8.783 18.740 7.494 1.00 52.50 O ATOM 1142 CB LYS A 80 7.825 15.702 7.940 1.00 34.30 C ATOM 1143 CG LYS A 80 6.787 15.185 8.922 1.00 41.10 C ATOM 1144 CD LYS A 80 6.778 16.004 10.203 1.00 13.30 C ATOM 1145 CE LYS A 80 6.554 15.125 11.424 1.00 53.10 C ATOM 1146 NZ LYS A 80 7.834 14.780 12.102 1.00 51.20 N ATOM 0 H LYS A 80 7.013 15.456 5.573 1.00 14.20 H new ATOM 0 HA LYS A 80 6.590 17.437 7.651 1.00 64.10 H new ATOM 0 HB2 LYS A 80 8.129 14.887 7.283 1.00 34.30 H new ATOM 0 HB3 LYS A 80 8.712 16.014 8.492 1.00 34.30 H new ATOM 0 HG2 LYS A 80 5.800 15.217 8.461 1.00 41.10 H new ATOM 0 HG3 LYS A 80 6.995 14.141 9.157 1.00 41.10 H new ATOM 0 HD2 LYS A 80 7.725 16.534 10.304 1.00 13.30 H new ATOM 0 HD3 LYS A 80 5.994 16.759 10.148 1.00 13.30 H new ATOM 0 HE2 LYS A 80 5.898 15.640 12.126 1.00 53.10 H new ATOM 0 HE3 LYS A 80 6.044 14.210 11.124 1.00 53.10 H new ATOM 0 HZ1 LYS A 80 7.638 14.180 12.929 1.00 51.20 H new ATOM 0 HZ2 LYS A 80 8.450 14.267 11.440 1.00 51.20 H new ATOM 0 HZ3 LYS A 80 8.309 15.652 12.411 1.00 51.20 H new ATOM 1160 N ASN A 81 9.163 17.528 5.638 1.00 54.20 N ATOM 1161 CA ASN A 81 10.296 18.339 5.207 1.00 75.30 C ATOM 1162 C ASN A 81 9.828 19.690 4.679 1.00 63.40 C ATOM 1163 O ASN A 81 8.636 19.999 4.701 1.00 10.30 O ATOM 1164 CB ASN A 81 11.094 17.605 4.129 1.00 53.30 C ATOM 1165 CG ASN A 81 12.158 16.697 4.713 1.00 40.20 C ATOM 1166 OD1 ASN A 81 13.315 17.090 4.861 1.00 62.20 O ATOM 1167 ND2 ASN A 81 11.770 15.472 5.050 1.00 15.40 N ATOM 0 H ASN A 81 8.938 16.752 5.015 1.00 54.20 H new ATOM 0 HA ASN A 81 10.938 18.510 6.071 1.00 75.30 H new ATOM 0 HB2 ASN A 81 10.413 17.014 3.516 1.00 53.30 H new ATOM 0 HB3 ASN A 81 11.565 18.334 3.470 1.00 53.30 H new ATOM 0 HD21 ASN A 81 12.442 14.816 5.449 1.00 15.40 H new ATOM 0 HD22 ASN A 81 10.801 15.188 4.910 1.00 15.40 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 9.799 -10.266 -2.116 1.00 72.20 N ATOM 1176 CA ASP B 116 8.559 -10.104 -1.366 1.00 30.50 C ATOM 1177 C ASP B 116 8.833 -9.527 0.019 1.00 74.40 C ATOM 1178 O ASP B 116 8.033 -8.758 0.551 1.00 62.30 O ATOM 1179 CB ASP B 116 7.833 -11.440 -1.239 1.00 62.40 C ATOM 1180 CG ASP B 116 8.661 -12.477 -0.493 1.00 11.50 C ATOM 1181 OD1 ASP B 116 9.764 -12.812 -0.972 1.00 63.20 O ATOM 1182 OD2 ASP B 116 8.202 -12.947 0.568 1.00 51.20 O ATOM 0 HA ASP B 116 7.924 -9.407 -1.913 1.00 30.50 H new ATOM 0 HB2 ASP B 116 6.888 -11.289 -0.718 1.00 62.40 H new ATOM 0 HB3 ASP B 116 7.593 -11.817 -2.233 1.00 62.40 H new ATOM 1187 N GLU B 117 9.966 -9.898 0.597 1.00 40.40 N ATOM 1188 CA GLU B 117 10.346 -9.418 1.920 1.00 30.10 C ATOM 1189 C GLU B 117 10.474 -7.899 1.932 1.00 62.20 C ATOM 1190 O GLU B 117 10.185 -7.247 2.937 1.00 53.40 O ATOM 1191 CB GLU B 117 11.670 -10.061 2.357 1.00 14.20 C ATOM 1192 CG GLU B 117 11.504 -11.432 2.993 1.00 4.23 C ATOM 1193 CD GLU B 117 12.541 -11.706 4.062 1.00 12.00 C ATOM 1194 OE1 GLU B 117 12.696 -10.862 4.971 1.00 60.30 O ATOM 1195 OE2 GLU B 117 13.198 -12.760 3.989 1.00 52.20 O ATOM 0 H GLU B 117 10.641 -10.532 0.170 1.00 40.40 H new ATOM 0 HA GLU B 117 9.563 -9.702 2.623 1.00 30.10 H new ATOM 0 HB2 GLU B 117 12.324 -10.150 1.490 1.00 14.20 H new ATOM 0 HB3 GLU B 117 12.168 -9.400 3.066 1.00 14.20 H new ATOM 0 HG2 GLU B 117 10.508 -11.508 3.430 1.00 4.23 H new ATOM 0 HG3 GLU B 117 11.573 -12.198 2.220 1.00 4.23 H new ATOM 1202 N GLU B 118 10.905 -7.336 0.807 1.00 64.40 N ATOM 1203 CA GLU B 118 11.072 -5.896 0.689 1.00 51.10 C ATOM 1204 C GLU B 118 9.744 -5.176 0.910 1.00 35.10 C ATOM 1205 O GLU B 118 9.694 -4.144 1.572 1.00 33.50 O ATOM 1206 CB GLU B 118 11.638 -5.541 -0.688 1.00 51.40 C ATOM 1207 CG GLU B 118 12.595 -4.359 -0.664 1.00 31.10 C ATOM 1208 CD GLU B 118 14.023 -4.772 -0.387 1.00 61.20 C ATOM 1209 OE1 GLU B 118 14.377 -4.940 0.801 1.00 61.20 O ATOM 1210 OE2 GLU B 118 14.793 -4.936 -1.358 1.00 52.00 O ATOM 0 H GLU B 118 11.145 -7.858 -0.036 1.00 64.40 H new ATOM 0 HA GLU B 118 11.773 -5.569 1.457 1.00 51.10 H new ATOM 0 HB2 GLU B 118 12.156 -6.410 -1.094 1.00 51.40 H new ATOM 0 HB3 GLU B 118 10.813 -5.317 -1.364 1.00 51.40 H new ATOM 0 HG2 GLU B 118 12.550 -3.840 -1.622 1.00 31.10 H new ATOM 0 HG3 GLU B 118 12.272 -3.650 0.098 1.00 31.10 H new ATOM 1217 N ILE B 119 8.675 -5.734 0.352 1.00 42.10 N ATOM 1218 CA ILE B 119 7.350 -5.150 0.488 1.00 31.40 C ATOM 1219 C ILE B 119 6.803 -5.348 1.897 1.00 74.10 C ATOM 1220 O ILE B 119 6.308 -4.408 2.520 1.00 62.50 O ATOM 1221 CB ILE B 119 6.360 -5.756 -0.525 1.00 33.20 C ATOM 1222 CG1 ILE B 119 6.960 -5.739 -1.932 1.00 34.20 C ATOM 1223 CG2 ILE B 119 5.041 -4.998 -0.496 1.00 31.10 C ATOM 1224 CD1 ILE B 119 6.047 -6.326 -2.985 1.00 31.20 C ATOM 0 H ILE B 119 8.703 -6.592 -0.199 1.00 42.10 H new ATOM 0 HA ILE B 119 7.454 -4.084 0.288 1.00 31.40 H new ATOM 0 HB ILE B 119 6.167 -6.792 -0.246 1.00 33.20 H new ATOM 0 HG12 ILE B 119 7.200 -4.711 -2.203 1.00 34.20 H new ATOM 0 HG13 ILE B 119 7.898 -6.295 -1.925 1.00 34.20 H new ATOM 0 HG21 ILE B 119 4.352 -5.438 -1.217 1.00 31.10 H new ATOM 0 HG22 ILE B 119 4.608 -5.059 0.503 1.00 31.10 H new ATOM 0 HG23 ILE B 119 5.216 -3.953 -0.753 1.00 31.10 H new ATOM 0 HD11 ILE B 119 6.537 -6.281 -3.958 1.00 31.20 H new ATOM 0 HD12 ILE B 119 5.826 -7.364 -2.737 1.00 31.20 H new ATOM 0 HD13 ILE B 119 5.118 -5.756 -3.020 1.00 31.20 H new ATOM 1236 N GLU B 120 6.893 -6.570 2.395 1.00 51.40 N ATOM 1237 CA GLU B 120 6.411 -6.898 3.733 1.00 72.00 C ATOM 1238 C GLU B 120 7.134 -6.064 4.789 1.00 64.20 C ATOM 1239 O GLU B 120 6.526 -5.590 5.744 1.00 72.30 O ATOM 1240 CB GLU B 120 6.596 -8.386 4.021 1.00 12.30 C ATOM 1241 CG GLU B 120 6.105 -9.288 2.901 1.00 62.40 C ATOM 1242 CD GLU B 120 5.364 -10.505 3.415 1.00 42.20 C ATOM 1243 OE1 GLU B 120 4.711 -10.400 4.476 1.00 62.10 O ATOM 1244 OE2 GLU B 120 5.437 -11.565 2.760 1.00 52.40 O ATOM 0 H GLU B 120 7.298 -7.359 1.891 1.00 51.40 H new ATOM 0 HA GLU B 120 5.347 -6.664 3.775 1.00 72.00 H new ATOM 0 HB2 GLU B 120 7.653 -8.584 4.199 1.00 12.30 H new ATOM 0 HB3 GLU B 120 6.065 -8.639 4.939 1.00 12.30 H new ATOM 0 HG2 GLU B 120 5.449 -8.719 2.243 1.00 62.40 H new ATOM 0 HG3 GLU B 120 6.955 -9.612 2.301 1.00 62.40 H new ATOM 1251 N ARG B 121 8.443 -5.907 4.610 1.00 3.05 N ATOM 1252 CA ARG B 121 9.249 -5.130 5.546 1.00 75.10 C ATOM 1253 C ARG B 121 8.894 -3.655 5.485 1.00 45.30 C ATOM 1254 O ARG B 121 8.934 -2.953 6.495 1.00 23.40 O ATOM 1255 CB ARG B 121 10.740 -5.327 5.246 1.00 50.00 C ATOM 1256 CG ARG B 121 11.633 -5.147 6.462 1.00 72.30 C ATOM 1257 CD ARG B 121 13.098 -5.039 6.066 1.00 74.20 C ATOM 1258 NE ARG B 121 13.976 -5.701 7.027 1.00 71.00 N ATOM 1259 CZ ARG B 121 15.280 -5.461 7.119 1.00 64.40 C ATOM 1260 NH1 ARG B 121 15.865 -4.587 6.311 1.00 53.10 N ATOM 1261 NH2 ARG B 121 16.008 -6.112 8.021 1.00 31.30 N ATOM 0 H ARG B 121 8.965 -6.305 3.830 1.00 3.05 H new ATOM 0 HA ARG B 121 9.035 -5.487 6.554 1.00 75.10 H new ATOM 0 HB2 ARG B 121 10.891 -6.327 4.839 1.00 50.00 H new ATOM 0 HB3 ARG B 121 11.044 -4.619 4.474 1.00 50.00 H new ATOM 0 HG2 ARG B 121 11.334 -4.250 7.005 1.00 72.30 H new ATOM 0 HG3 ARG B 121 11.500 -5.989 7.141 1.00 72.30 H new ATOM 0 HD2 ARG B 121 13.240 -5.482 5.080 1.00 74.20 H new ATOM 0 HD3 ARG B 121 13.375 -3.988 5.986 1.00 74.20 H new ATOM 0 HE ARG B 121 13.566 -6.385 7.663 1.00 71.00 H new ATOM 0 HH11 ARG B 121 15.313 -4.092 5.611 1.00 53.10 H new ATOM 0 HH12 ARG B 121 16.866 -4.410 6.390 1.00 53.10 H new ATOM 0 HH21 ARG B 121 15.565 -6.792 8.639 1.00 31.30 H new ATOM 0 HH22 ARG B 121 17.009 -5.931 8.095 1.00 31.30 H new ATOM 1275 N GLN B 122 8.544 -3.186 4.292 1.00 41.30 N ATOM 1276 CA GLN B 122 8.180 -1.787 4.097 1.00 34.40 C ATOM 1277 C GLN B 122 6.925 -1.437 4.892 1.00 24.20 C ATOM 1278 O GLN B 122 6.867 -0.399 5.551 1.00 34.20 O ATOM 1279 CB GLN B 122 7.953 -1.500 2.612 1.00 33.30 C ATOM 1280 CG GLN B 122 9.211 -1.064 1.878 1.00 4.23 C ATOM 1281 CD GLN B 122 8.951 0.059 0.892 1.00 25.20 C ATOM 1282 OE1 GLN B 122 9.324 1.208 1.131 1.00 4.33 O ATOM 1283 NE2 GLN B 122 8.310 -0.270 -0.223 1.00 54.30 N ATOM 0 H GLN B 122 8.505 -3.754 3.446 1.00 41.30 H new ATOM 0 HA GLN B 122 9.002 -1.169 4.458 1.00 34.40 H new ATOM 0 HB2 GLN B 122 7.555 -2.395 2.134 1.00 33.30 H new ATOM 0 HB3 GLN B 122 7.196 -0.722 2.512 1.00 33.30 H new ATOM 0 HG2 GLN B 122 9.957 -0.740 2.604 1.00 4.23 H new ATOM 0 HG3 GLN B 122 9.632 -1.918 1.348 1.00 4.23 H new ATOM 0 HE21 GLN B 122 8.020 -1.235 -0.378 1.00 54.30 H new ATOM 0 HE22 GLN B 122 8.108 0.443 -0.924 1.00 54.30 H new ATOM 1292 N LEU B 123 5.925 -2.310 4.824 1.00 30.40 N ATOM 1293 CA LEU B 123 4.672 -2.092 5.538 1.00 54.50 C ATOM 1294 C LEU B 123 4.910 -2.004 7.042 1.00 44.10 C ATOM 1295 O LEU B 123 4.344 -1.149 7.722 1.00 4.00 O ATOM 1296 CB LEU B 123 3.684 -3.219 5.231 1.00 71.20 C ATOM 1297 CG LEU B 123 2.905 -3.059 3.924 1.00 13.10 C ATOM 1298 CD1 LEU B 123 3.672 -3.681 2.767 1.00 3.43 C ATOM 1299 CD2 LEU B 123 1.524 -3.685 4.049 1.00 13.10 C ATOM 0 H LEU B 123 5.958 -3.174 4.283 1.00 30.40 H new ATOM 0 HA LEU B 123 4.250 -1.146 5.200 1.00 54.50 H new ATOM 0 HB2 LEU B 123 4.230 -4.162 5.197 1.00 71.20 H new ATOM 0 HB3 LEU B 123 2.973 -3.292 6.054 1.00 71.20 H new ATOM 0 HG LEU B 123 2.783 -1.995 3.722 1.00 13.10 H new ATOM 0 HD11 LEU B 123 3.103 -3.558 1.845 1.00 3.43 H new ATOM 0 HD12 LEU B 123 4.639 -3.189 2.665 1.00 3.43 H new ATOM 0 HD13 LEU B 123 3.824 -4.743 2.960 1.00 3.43 H new ATOM 0 HD21 LEU B 123 0.983 -3.563 3.111 1.00 13.10 H new ATOM 0 HD22 LEU B 123 1.625 -4.747 4.274 1.00 13.10 H new ATOM 0 HD23 LEU B 123 0.974 -3.195 4.852 1.00 13.10 H new ATOM 1311 N LYS B 124 5.754 -2.895 7.555 1.00 64.30 N ATOM 1312 CA LYS B 124 6.067 -2.919 8.978 1.00 1.31 C ATOM 1313 C LYS B 124 6.693 -1.600 9.420 1.00 43.30 C ATOM 1314 O LYS B 124 6.516 -1.167 10.558 1.00 61.40 O ATOM 1315 CB LYS B 124 7.015 -4.078 9.295 1.00 23.50 C ATOM 1316 CG LYS B 124 6.994 -4.501 10.754 1.00 3.03 C ATOM 1317 CD LYS B 124 8.366 -4.956 11.223 1.00 63.10 C ATOM 1318 CE LYS B 124 8.330 -5.416 12.668 1.00 33.40 C ATOM 1319 NZ LYS B 124 9.700 -5.707 13.191 1.00 15.10 N ATOM 0 H LYS B 124 6.232 -3.609 7.006 1.00 64.30 H new ATOM 0 HA LYS B 124 5.136 -3.061 9.526 1.00 1.31 H new ATOM 0 HB2 LYS B 124 6.750 -4.933 8.674 1.00 23.50 H new ATOM 0 HB3 LYS B 124 8.031 -3.790 9.024 1.00 23.50 H new ATOM 0 HG2 LYS B 124 6.656 -3.668 11.370 1.00 3.03 H new ATOM 0 HG3 LYS B 124 6.276 -5.310 10.889 1.00 3.03 H new ATOM 0 HD2 LYS B 124 8.718 -5.770 10.589 1.00 63.10 H new ATOM 0 HD3 LYS B 124 9.079 -4.138 11.117 1.00 63.10 H new ATOM 0 HE2 LYS B 124 7.862 -4.647 13.283 1.00 33.40 H new ATOM 0 HE3 LYS B 124 7.712 -6.310 12.750 1.00 33.40 H new ATOM 0 HZ1 LYS B 124 9.635 -6.019 14.181 1.00 15.10 H new ATOM 0 HZ2 LYS B 124 10.137 -6.458 12.620 1.00 15.10 H new ATOM 0 HZ3 LYS B 124 10.282 -4.847 13.136 1.00 15.10 H new ATOM 1333 N ALA B 125 7.428 -0.967 8.511 1.00 13.20 N ATOM 1334 CA ALA B 125 8.081 0.303 8.806 1.00 42.50 C ATOM 1335 C ALA B 125 7.062 1.431 8.913 1.00 43.20 C ATOM 1336 O ALA B 125 6.974 2.106 9.939 1.00 55.10 O ATOM 1337 CB ALA B 125 9.117 0.623 7.739 1.00 72.30 C ATOM 0 H ALA B 125 7.586 -1.313 7.565 1.00 13.20 H new ATOM 0 HA ALA B 125 8.584 0.211 9.769 1.00 42.50 H new ATOM 0 HB1 ALA B 125 9.597 1.574 7.971 1.00 72.30 H new ATOM 0 HB2 ALA B 125 9.868 -0.166 7.713 1.00 72.30 H new ATOM 0 HB3 ALA B 125 8.629 0.691 6.767 1.00 72.30 H new ATOM 1343 N LEU B 126 6.295 1.632 7.847 1.00 23.30 N ATOM 1344 CA LEU B 126 5.280 2.680 7.822 1.00 60.20 C ATOM 1345 C LEU B 126 4.170 2.388 8.825 1.00 11.00 C ATOM 1346 O LEU B 126 3.610 3.302 9.430 1.00 2.12 O ATOM 1347 CB LEU B 126 4.692 2.816 6.416 1.00 20.40 C ATOM 1348 CG LEU B 126 5.715 3.064 5.307 1.00 30.40 C ATOM 1349 CD1 LEU B 126 5.017 3.249 3.968 1.00 11.50 C ATOM 1350 CD2 LEU B 126 6.573 4.277 5.635 1.00 33.30 C ATOM 0 H LEU B 126 6.356 1.084 6.989 1.00 23.30 H new ATOM 0 HA LEU B 126 5.757 3.619 8.101 1.00 60.20 H new ATOM 0 HB2 LEU B 126 4.138 1.907 6.181 1.00 20.40 H new ATOM 0 HB3 LEU B 126 3.974 3.636 6.417 1.00 20.40 H new ATOM 0 HG LEU B 126 6.365 2.192 5.237 1.00 30.40 H new ATOM 0 HD11 LEU B 126 5.761 3.424 3.191 1.00 11.50 H new ATOM 0 HD12 LEU B 126 4.446 2.352 3.728 1.00 11.50 H new ATOM 0 HD13 LEU B 126 4.343 4.104 4.024 1.00 11.50 H new ATOM 0 HD21 LEU B 126 7.295 4.439 4.835 1.00 33.30 H new ATOM 0 HD22 LEU B 126 5.937 5.157 5.733 1.00 33.30 H new ATOM 0 HD23 LEU B 126 7.102 4.106 6.572 1.00 33.30 H new ATOM 1362 N GLY B 127 3.857 1.107 8.997 1.00 13.20 N ATOM 1363 CA GLY B 127 2.814 0.718 9.927 1.00 0.31 C ATOM 1364 C GLY B 127 3.366 0.308 11.279 1.00 42.30 C ATOM 1365 O GLY B 127 2.778 -0.523 11.971 1.00 61.30 O ATOM 0 H GLY B 127 4.307 0.333 8.509 1.00 13.20 H new ATOM 0 HA2 GLY B 127 2.120 1.548 10.058 1.00 0.31 H new ATOM 0 HA3 GLY B 127 2.245 -0.110 9.504 1.00 0.31 H new ATOM 1369 N VAL B 128 4.498 0.893 11.655 1.00 42.40 N ATOM 1370 CA VAL B 128 5.129 0.585 12.932 1.00 15.50 C ATOM 1371 C VAL B 128 4.343 1.186 14.094 1.00 44.30 C ATOM 1372 O VAL B 128 4.005 2.370 14.080 1.00 3.21 O ATOM 1373 CB VAL B 128 6.581 1.104 12.980 1.00 55.30 C ATOM 1374 CG1 VAL B 128 6.617 2.617 12.829 1.00 2.33 C ATOM 1375 CG2 VAL B 128 7.263 0.672 14.271 1.00 3.24 C ATOM 0 H VAL B 128 4.997 1.583 11.093 1.00 42.40 H new ATOM 0 HA VAL B 128 5.137 -0.501 13.029 1.00 15.50 H new ATOM 0 HB VAL B 128 7.128 0.668 12.144 1.00 55.30 H new ATOM 0 HG11 VAL B 128 7.650 2.962 12.866 1.00 2.33 H new ATOM 0 HG12 VAL B 128 6.174 2.898 11.873 1.00 2.33 H new ATOM 0 HG13 VAL B 128 6.052 3.077 13.640 1.00 2.33 H new ATOM 0 HG21 VAL B 128 8.286 1.048 14.285 1.00 3.24 H new ATOM 0 HG22 VAL B 128 6.716 1.075 15.124 1.00 3.24 H new ATOM 0 HG23 VAL B 128 7.276 -0.416 14.329 1.00 3.24 H new ATOM 1385 N ASP B 129 4.054 0.362 15.095 1.00 71.40 N ATOM 1386 CA ASP B 129 3.307 0.812 16.264 1.00 12.10 C ATOM 1387 C ASP B 129 3.400 -0.207 17.394 1.00 12.30 C ATOM 1388 O ASP B 129 3.183 -1.407 17.127 1.00 3.43 O ATOM 1389 CB ASP B 129 1.842 1.052 15.897 1.00 34.40 C ATOM 1390 CG ASP B 129 1.184 2.086 16.790 1.00 64.00 C ATOM 1391 OD1 ASP B 129 1.612 3.259 16.754 1.00 31.10 O ATOM 1392 OD2 ASP B 129 0.241 1.724 17.524 1.00 75.10 O ATOM 1393 OXT ASP B 129 3.691 0.203 18.538 1.00 38.10 O ATOM 0 H ASP B 129 4.325 -0.621 15.121 1.00 71.40 H new ATOM 0 HA ASP B 129 3.747 1.749 16.607 1.00 12.10 H new ATOM 0 HB2 ASP B 129 1.779 1.380 14.859 1.00 34.40 H new ATOM 0 HB3 ASP B 129 1.294 0.113 15.968 1.00 34.40 H new TER 1398 ASP B 129