USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 912 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 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 THR OG1 : rot -153:sc= 1 USER MOD Set 2.2: A 85 GLN : amide:sc= -0.559 K(o=0.44,f=-5!) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.554 K(o=-0.32,f=-3.9!) USER MOD Set 3.2: A 81 GLN :FLIP amide:sc= 0.235 F(o=-1.2,f=-0.32) USER MOD Set 4.1: A 31 HIS : no HE2:sc= -0.511 X(o=-0.79,f=-1.1) USER MOD Set 4.2: A 35 HIS : no HE2:sc= 0.509 K(o=-0.79,f=-3.4!) USER MOD Set 4.3: A 55 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-4.8) USER MOD Set 5.1: A 28 GLN : amide:sc= -1.09 K(o=-1.5,f=-4.5!) USER MOD Set 5.2: A 62 GLN : amide:sc= -0.432 K(o=-1.5,f=-8.6!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0797 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 160:sc= 1.03 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0438 (180deg=-0.249) USER MOD Single : A 6 SER OG : rot 180:sc=-0.00283 USER MOD Single : A 18 ASN : amide:sc= 0.0348 K(o=0.035,f=-1.5!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 34 MET CE :methyl -160:sc= -0.0979 (180deg=-0.593) USER MOD Single : A 38 SER OG : rot -87:sc= 1.22 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0.645 (180deg=0.481) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.405 K(o=-0.41,f=-2.7!) USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.678) USER MOD Single : A 52 GLN : amide:sc= -0.531 K(o=-0.53,f=-3.8!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0155 F(o=-1,f=-0.016) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.63 K(o=-0.63,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.0486 (180deg=-0.261) USER MOD Single : A 69 GLN : amide:sc= 0.0279 X(o=0.028,f=-0.44) USER MOD Single : A 71 GLN : amide:sc= -5.99! C(o=-6!,f=-9.6!) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= -0.362 (180deg=-0.381) USER MOD Single : A 77 GLN : amide:sc=-0.00961 K(o=-0.0096,f=-0.9) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= 0.851 (180deg=-0.0291!) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 88 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.6!) USER MOD Single : A 90 GLN : amide:sc= -0.774 K(o=-0.77,f=-5.1!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0163 F(o=-1,f=-0.016) USER MOD Single : A 95 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.57) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.12) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 109 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.067) USER MOD Single : A 111 ASN : amide:sc=-0.00552 X(o=-0.0055,f=0) USER MOD Single : A 113 GLN :FLIP amide:sc=-0.00199 F(o=-0.83,f=-0.002) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0359 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.932 -1.399 6.159 1.00 0.00 N ATOM 2 CA GLY A 1 -12.732 -2.073 5.678 1.00 0.00 C ATOM 3 C GLY A 1 -12.823 -3.559 5.875 1.00 0.00 C ATOM 4 O GLY A 1 -13.922 -4.101 6.011 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.218 -0.670 5.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.700 -2.092 6.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.735 -0.954 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.588 -1.853 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.860 -1.687 6.205 1.00 0.00 H new ATOM 10 N ARG A 2 -11.688 -4.224 5.875 1.00 0.00 N ATOM 11 CA ARG A 2 -11.638 -5.664 6.057 1.00 0.00 C ATOM 12 C ARG A 2 -11.385 -5.966 7.513 1.00 0.00 C ATOM 13 O ARG A 2 -10.565 -5.311 8.142 1.00 0.00 O ATOM 14 CB ARG A 2 -10.545 -6.286 5.208 1.00 0.00 C ATOM 15 CG ARG A 2 -10.614 -5.939 3.745 1.00 0.00 C ATOM 16 CD ARG A 2 -9.568 -6.695 2.960 1.00 0.00 C ATOM 17 NE ARG A 2 -9.807 -8.143 2.962 1.00 0.00 N ATOM 18 CZ ARG A 2 -8.994 -9.066 2.437 1.00 0.00 C ATOM 19 NH1 ARG A 2 -7.880 -8.712 1.794 1.00 0.00 N ATOM 20 NH2 ARG A 2 -9.320 -10.340 2.520 1.00 0.00 N ATOM 0 H ARG A 2 -10.775 -3.786 5.750 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.591 -6.090 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.577 -5.971 5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.594 -7.370 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.605 -6.175 3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.468 -4.867 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.556 -6.333 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.583 -6.491 3.381 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.666 -8.474 3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.638 -7.726 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.270 -9.428 1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.187 -10.616 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.706 -11.051 2.122 1.00 0.00 H new ATOM 34 N CYS A 3 -12.031 -6.950 8.031 1.00 0.00 N ATOM 35 CA CYS A 3 -11.929 -7.245 9.441 1.00 0.00 C ATOM 36 C CYS A 3 -11.398 -8.643 9.682 1.00 0.00 C ATOM 37 O CYS A 3 -11.686 -9.570 8.918 1.00 0.00 O ATOM 38 CB CYS A 3 -13.278 -7.067 10.122 1.00 0.00 C ATOM 39 SG CYS A 3 -14.069 -5.438 9.836 1.00 0.00 S ATOM 0 H CYS A 3 -12.643 -7.576 7.507 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.219 -6.541 9.874 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -13.952 -7.850 9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -13.150 -7.211 11.195 1.00 0.00 H new ATOM 44 N THR A 4 -10.628 -8.784 10.734 1.00 0.00 N ATOM 45 CA THR A 4 -10.027 -10.043 11.118 1.00 0.00 C ATOM 46 C THR A 4 -11.054 -10.931 11.833 1.00 0.00 C ATOM 47 O THR A 4 -12.081 -10.432 12.337 1.00 0.00 O ATOM 48 CB THR A 4 -8.835 -9.789 12.074 1.00 0.00 C ATOM 49 OG1 THR A 4 -9.294 -9.088 13.244 1.00 0.00 O ATOM 50 CG2 THR A 4 -7.753 -8.958 11.401 1.00 0.00 C ATOM 0 H THR A 4 -10.396 -8.013 11.361 1.00 0.00 H new ATOM 0 HA THR A 4 -9.679 -10.546 10.215 1.00 0.00 H new ATOM 0 HB THR A 4 -8.415 -10.757 12.348 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.647 -9.206 13.971 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.931 -8.798 12.098 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.385 -9.485 10.521 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.167 -7.995 11.101 1.00 0.00 H new ATOM 58 N LYS A 5 -10.784 -12.224 11.904 1.00 0.00 N ATOM 59 CA LYS A 5 -11.671 -13.147 12.595 1.00 0.00 C ATOM 60 C LYS A 5 -11.335 -13.169 14.083 1.00 0.00 C ATOM 61 O LYS A 5 -10.770 -14.136 14.601 1.00 0.00 O ATOM 62 CB LYS A 5 -11.616 -14.591 12.025 1.00 0.00 C ATOM 63 CG LYS A 5 -12.154 -14.791 10.601 1.00 0.00 C ATOM 64 CD LYS A 5 -11.280 -14.153 9.533 1.00 0.00 C ATOM 65 CE LYS A 5 -11.838 -14.395 8.139 1.00 0.00 C ATOM 66 NZ LYS A 5 -13.193 -13.834 7.970 1.00 0.00 N ATOM 0 H LYS A 5 -9.958 -12.659 11.492 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.687 -12.784 12.438 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.579 -14.926 12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.176 -15.243 12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.241 -15.859 10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.158 -14.372 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.205 -13.081 9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.270 -14.559 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.170 -13.952 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.864 -15.467 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.442 -13.826 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.878 -14.418 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.215 -12.862 8.340 1.00 0.00 H new ATOM 80 N SER A 6 -11.627 -12.094 14.748 1.00 0.00 N ATOM 81 CA SER A 6 -11.332 -11.966 16.145 1.00 0.00 C ATOM 82 C SER A 6 -12.461 -11.195 16.814 1.00 0.00 C ATOM 83 O SER A 6 -13.347 -10.681 16.125 1.00 0.00 O ATOM 84 CB SER A 6 -9.979 -11.248 16.313 1.00 0.00 C ATOM 85 OG SER A 6 -9.565 -11.206 17.668 1.00 0.00 O ATOM 0 H SER A 6 -12.078 -11.277 14.337 1.00 0.00 H new ATOM 0 HA SER A 6 -11.255 -12.945 16.617 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.221 -11.758 15.718 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.057 -10.232 15.926 1.00 0.00 H new ATOM 0 HG SER A 6 -8.703 -10.745 17.732 1.00 0.00 H new ATOM 91 N ILE A 7 -12.462 -11.164 18.132 1.00 0.00 N ATOM 92 CA ILE A 7 -13.455 -10.454 18.914 1.00 0.00 C ATOM 93 C ILE A 7 -12.733 -9.553 19.938 1.00 0.00 C ATOM 94 O ILE A 7 -12.051 -10.065 20.824 1.00 0.00 O ATOM 95 CB ILE A 7 -14.395 -11.448 19.664 1.00 0.00 C ATOM 96 CG1 ILE A 7 -15.141 -12.359 18.667 1.00 0.00 C ATOM 97 CG2 ILE A 7 -15.389 -10.702 20.558 1.00 0.00 C ATOM 98 CD1 ILE A 7 -16.144 -11.643 17.780 1.00 0.00 C ATOM 0 H ILE A 7 -11.761 -11.640 18.699 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.066 -9.851 18.242 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.772 -12.075 20.302 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -14.408 -12.858 18.033 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -15.661 -13.137 19.226 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.031 -11.421 21.068 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.844 -10.114 21.297 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.001 -10.039 19.947 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.619 -12.363 17.113 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.904 -11.167 18.400 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -15.631 -10.884 17.189 1.00 0.00 H new ATOM 110 N PRO A 8 -12.812 -8.218 19.810 1.00 0.00 N ATOM 111 CA PRO A 8 -13.505 -7.544 18.719 1.00 0.00 C ATOM 112 C PRO A 8 -12.650 -7.594 17.447 1.00 0.00 C ATOM 113 O PRO A 8 -11.407 -7.577 17.529 1.00 0.00 O ATOM 114 CB PRO A 8 -13.652 -6.088 19.214 1.00 0.00 C ATOM 115 CG PRO A 8 -13.124 -6.076 20.614 1.00 0.00 C ATOM 116 CD PRO A 8 -12.218 -7.257 20.738 1.00 0.00 C ATOM 0 HA PRO A 8 -14.464 -8.001 18.474 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.092 -5.401 18.579 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -14.694 -5.769 19.187 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.585 -5.151 20.817 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.939 -6.135 21.336 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.192 -7.011 20.464 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.192 -7.642 21.757 1.00 0.00 H new ATOM 124 N PRO A 9 -13.275 -7.681 16.279 1.00 0.00 N ATOM 125 CA PRO A 9 -12.558 -7.817 15.010 1.00 0.00 C ATOM 126 C PRO A 9 -11.705 -6.584 14.696 1.00 0.00 C ATOM 127 O PRO A 9 -12.104 -5.452 14.984 1.00 0.00 O ATOM 128 CB PRO A 9 -13.684 -7.958 13.981 1.00 0.00 C ATOM 129 CG PRO A 9 -14.850 -7.307 14.625 1.00 0.00 C ATOM 130 CD PRO A 9 -14.737 -7.638 16.077 1.00 0.00 C ATOM 0 HA PRO A 9 -11.862 -8.656 15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.426 -7.472 13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.887 -9.005 13.754 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.836 -6.229 14.466 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.787 -7.678 14.209 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.212 -6.883 16.704 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.208 -8.592 16.314 1.00 0.00 H new ATOM 138 N ILE A 10 -10.549 -6.794 14.129 1.00 0.00 N ATOM 139 CA ILE A 10 -9.687 -5.694 13.771 1.00 0.00 C ATOM 140 C ILE A 10 -10.005 -5.331 12.353 1.00 0.00 C ATOM 141 O ILE A 10 -9.841 -6.151 11.452 1.00 0.00 O ATOM 142 CB ILE A 10 -8.176 -6.061 13.870 1.00 0.00 C ATOM 143 CG1 ILE A 10 -7.842 -6.654 15.245 1.00 0.00 C ATOM 144 CG2 ILE A 10 -7.301 -4.835 13.593 1.00 0.00 C ATOM 145 CD1 ILE A 10 -8.148 -5.745 16.400 1.00 0.00 C ATOM 0 H ILE A 10 -10.179 -7.717 13.903 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.861 -4.870 14.463 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.966 -6.816 13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.398 -7.583 15.372 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.783 -6.910 15.270 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.250 -5.114 13.667 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.507 -4.460 12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.523 -4.057 14.324 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.882 -6.241 17.334 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.572 -4.825 16.301 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.212 -5.508 16.405 1.00 0.00 H new ATOM 157 N CYS A 11 -10.492 -4.159 12.149 1.00 0.00 N ATOM 158 CA CYS A 11 -10.867 -3.755 10.838 1.00 0.00 C ATOM 159 C CYS A 11 -9.847 -2.796 10.260 1.00 0.00 C ATOM 160 O CYS A 11 -9.540 -1.746 10.842 1.00 0.00 O ATOM 161 CB CYS A 11 -12.279 -3.173 10.834 1.00 0.00 C ATOM 162 SG CYS A 11 -13.562 -4.331 11.462 1.00 0.00 S ATOM 0 H CYS A 11 -10.641 -3.459 12.876 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.882 -4.633 10.192 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.291 -2.268 11.442 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -12.537 -2.877 9.817 1.00 0.00 H new ATOM 167 N PHE A 12 -9.305 -3.187 9.142 1.00 0.00 N ATOM 168 CA PHE A 12 -8.316 -2.437 8.437 1.00 0.00 C ATOM 169 C PHE A 12 -8.939 -1.703 7.285 1.00 0.00 C ATOM 170 O PHE A 12 -9.822 -2.237 6.610 1.00 0.00 O ATOM 171 CB PHE A 12 -7.203 -3.342 7.935 1.00 0.00 C ATOM 172 CG PHE A 12 -6.281 -3.804 9.019 1.00 0.00 C ATOM 173 CD1 PHE A 12 -6.349 -5.093 9.522 1.00 0.00 C ATOM 174 CD2 PHE A 12 -5.347 -2.937 9.541 1.00 0.00 C ATOM 175 CE1 PHE A 12 -5.494 -5.501 10.526 1.00 0.00 C ATOM 176 CE2 PHE A 12 -4.496 -3.332 10.540 1.00 0.00 C ATOM 177 CZ PHE A 12 -4.565 -4.617 11.038 1.00 0.00 C ATOM 0 H PHE A 12 -9.550 -4.065 8.685 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.886 -1.713 9.129 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.644 -4.212 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.626 -2.811 7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.077 -5.785 9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.284 -1.930 9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.552 -6.509 10.910 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.771 -2.637 10.938 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.895 -4.930 11.825 1.00 0.00 H new ATOM 187 N PRO A 13 -8.484 -0.485 7.017 1.00 0.00 N ATOM 188 CA PRO A 13 -9.052 0.345 5.967 1.00 0.00 C ATOM 189 C PRO A 13 -8.566 -0.018 4.574 1.00 0.00 C ATOM 190 O PRO A 13 -9.138 0.410 3.573 1.00 0.00 O ATOM 191 CB PRO A 13 -8.604 1.751 6.349 1.00 0.00 C ATOM 192 CG PRO A 13 -7.315 1.566 7.082 1.00 0.00 C ATOM 193 CD PRO A 13 -7.367 0.201 7.724 1.00 0.00 C ATOM 0 HA PRO A 13 -10.134 0.224 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.469 2.375 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.347 2.244 6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.469 1.639 6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.185 2.342 7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.426 -0.335 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.555 0.270 8.795 1.00 0.00 H new ATOM 201 N ASP A 14 -7.576 -0.842 4.494 1.00 0.00 N ATOM 202 CA ASP A 14 -6.972 -1.129 3.231 1.00 0.00 C ATOM 203 C ASP A 14 -6.703 -2.642 3.135 1.00 0.00 C ATOM 204 O ASP A 14 -7.228 -3.416 3.961 1.00 0.00 O ATOM 205 CB ASP A 14 -5.702 -0.259 3.112 1.00 0.00 C ATOM 206 CG ASP A 14 -5.031 -0.285 1.755 1.00 0.00 C ATOM 207 OD1 ASP A 14 -4.117 -1.108 1.541 1.00 0.00 O ATOM 208 OD2 ASP A 14 -5.422 0.506 0.884 1.00 0.00 O ATOM 0 H ASP A 14 -7.165 -1.331 5.289 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.621 -0.882 2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.963 0.772 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.983 -0.588 3.862 1.00 0.00 H new ATOM 213 N GLY A 15 -5.926 -3.063 2.163 1.00 0.00 N ATOM 214 CA GLY A 15 -5.687 -4.458 1.942 1.00 0.00 C ATOM 215 C GLY A 15 -6.684 -5.038 0.994 1.00 0.00 C ATOM 216 O GLY A 15 -6.929 -6.244 0.992 1.00 0.00 O ATOM 0 H GLY A 15 -5.446 -2.445 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.681 -4.598 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.732 -4.991 2.891 1.00 0.00 H new ATOM 220 N LEU A 16 -7.238 -4.186 0.172 1.00 0.00 N ATOM 221 CA LEU A 16 -8.288 -4.572 -0.755 1.00 0.00 C ATOM 222 C LEU A 16 -7.744 -4.758 -2.160 1.00 0.00 C ATOM 223 O LEU A 16 -8.380 -5.371 -3.007 1.00 0.00 O ATOM 224 CB LEU A 16 -9.449 -3.552 -0.760 1.00 0.00 C ATOM 225 CG LEU A 16 -9.214 -2.163 -1.410 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.484 -1.371 -1.372 1.00 0.00 C ATOM 227 CD2 LEU A 16 -8.122 -1.372 -0.720 1.00 0.00 C ATOM 0 H LEU A 16 -6.979 -3.201 0.121 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.681 -5.528 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.295 -4.016 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.749 -3.387 0.275 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.896 -2.341 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.318 -0.395 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.261 -1.902 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.799 -1.238 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.001 -0.409 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.393 -1.210 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.185 -1.926 -0.769 1.00 0.00 H new ATOM 239 N ASP A 17 -6.589 -4.219 -2.414 1.00 0.00 N ATOM 240 CA ASP A 17 -5.970 -4.360 -3.711 1.00 0.00 C ATOM 241 C ASP A 17 -4.632 -4.987 -3.541 1.00 0.00 C ATOM 242 O ASP A 17 -3.732 -4.396 -2.951 1.00 0.00 O ATOM 243 CB ASP A 17 -5.846 -3.019 -4.435 1.00 0.00 C ATOM 244 CG ASP A 17 -5.123 -3.138 -5.770 1.00 0.00 C ATOM 245 OD1 ASP A 17 -3.905 -2.884 -5.827 1.00 0.00 O ATOM 246 OD2 ASP A 17 -5.761 -3.454 -6.791 1.00 0.00 O ATOM 0 H ASP A 17 -6.049 -3.674 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.604 -4.995 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.841 -2.607 -4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.311 -2.315 -3.798 1.00 0.00 H new ATOM 251 N ASN A 18 -4.513 -6.195 -3.986 1.00 0.00 N ATOM 252 CA ASN A 18 -3.279 -6.921 -3.881 1.00 0.00 C ATOM 253 C ASN A 18 -2.970 -7.570 -5.204 1.00 0.00 C ATOM 254 O ASN A 18 -3.598 -8.570 -5.570 1.00 0.00 O ATOM 255 CB ASN A 18 -3.337 -8.000 -2.773 1.00 0.00 C ATOM 256 CG ASN A 18 -3.568 -7.442 -1.373 1.00 0.00 C ATOM 257 OD1 ASN A 18 -2.626 -7.108 -0.659 1.00 0.00 O ATOM 258 ND2 ASN A 18 -4.813 -7.372 -0.959 1.00 0.00 N ATOM 0 H ASN A 18 -5.269 -6.713 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.494 -6.214 -3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.135 -8.704 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.403 -8.562 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.020 -7.032 -0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.573 -7.657 -1.577 1.00 0.00 H new ATOM 265 N PRO A 19 -2.083 -6.964 -6.003 1.00 0.00 N ATOM 266 CA PRO A 19 -1.616 -7.565 -7.247 1.00 0.00 C ATOM 267 C PRO A 19 -0.871 -8.864 -6.936 1.00 0.00 C ATOM 268 O PRO A 19 -1.029 -9.864 -7.626 1.00 0.00 O ATOM 269 CB PRO A 19 -0.688 -6.493 -7.842 1.00 0.00 C ATOM 270 CG PRO A 19 -1.115 -5.231 -7.182 1.00 0.00 C ATOM 271 CD PRO A 19 -1.508 -5.628 -5.797 1.00 0.00 C ATOM 0 HA PRO A 19 -2.413 -7.834 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.359 -6.715 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.794 -6.431 -8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.306 -4.501 -7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.950 -4.772 -7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.651 -5.654 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.232 -4.936 -5.366 1.00 0.00 H new ATOM 279 N ARG A 20 -0.070 -8.840 -5.875 1.00 0.00 N ATOM 280 CA ARG A 20 0.569 -10.054 -5.361 1.00 0.00 C ATOM 281 C ARG A 20 0.230 -10.139 -3.906 1.00 0.00 C ATOM 282 O ARG A 20 -0.217 -11.176 -3.396 1.00 0.00 O ATOM 283 CB ARG A 20 2.123 -10.075 -5.481 1.00 0.00 C ATOM 284 CG ARG A 20 2.706 -9.832 -6.859 1.00 0.00 C ATOM 285 CD ARG A 20 2.600 -8.381 -7.213 1.00 0.00 C ATOM 286 NE ARG A 20 3.108 -8.066 -8.532 1.00 0.00 N ATOM 287 CZ ARG A 20 3.159 -6.832 -9.046 1.00 0.00 C ATOM 288 NH1 ARG A 20 2.724 -5.778 -8.336 1.00 0.00 N ATOM 289 NH2 ARG A 20 3.639 -6.645 -10.269 1.00 0.00 N ATOM 0 H ARG A 20 0.154 -7.994 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 20 0.202 -10.888 -5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.526 -9.322 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.478 -11.043 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.750 -10.145 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.177 -10.434 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.555 -8.077 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.145 -7.795 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 20 3.450 -8.836 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.351 -5.915 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.767 -4.841 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.968 -7.441 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.679 -5.705 -10.663 1.00 0.00 H new ATOM 303 N GLY A 21 0.407 -9.021 -3.239 1.00 0.00 N ATOM 304 CA GLY A 21 0.165 -8.972 -1.838 1.00 0.00 C ATOM 305 C GLY A 21 1.417 -9.181 -1.091 1.00 0.00 C ATOM 306 O GLY A 21 1.453 -9.861 -0.063 1.00 0.00 O ATOM 0 H GLY A 21 0.717 -8.142 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.268 -8.008 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.562 -9.735 -1.562 1.00 0.00 H new ATOM 310 N CYS A 22 2.450 -8.618 -1.620 1.00 0.00 N ATOM 311 CA CYS A 22 3.737 -8.670 -1.020 1.00 0.00 C ATOM 312 C CYS A 22 3.743 -7.872 0.259 1.00 0.00 C ATOM 313 O CYS A 22 3.151 -6.786 0.325 1.00 0.00 O ATOM 314 CB CYS A 22 4.758 -8.091 -1.968 1.00 0.00 C ATOM 315 SG CYS A 22 5.163 -9.107 -3.419 1.00 0.00 S ATOM 0 H CYS A 22 2.422 -8.099 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 22 3.983 -9.709 -0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.394 -7.124 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.677 -7.905 -1.412 1.00 0.00 H new ATOM 320 N GLN A 23 4.358 -8.399 1.270 1.00 0.00 N ATOM 321 CA GLN A 23 4.498 -7.674 2.487 1.00 0.00 C ATOM 322 C GLN A 23 5.898 -7.084 2.560 1.00 0.00 C ATOM 323 O GLN A 23 6.910 -7.806 2.618 1.00 0.00 O ATOM 324 CB GLN A 23 4.140 -8.529 3.700 1.00 0.00 C ATOM 325 CG GLN A 23 4.969 -9.789 3.883 1.00 0.00 C ATOM 326 CD GLN A 23 4.440 -10.664 4.995 1.00 0.00 C ATOM 327 OE1 GLN A 23 3.838 -10.180 5.947 1.00 0.00 O ATOM 328 NE2 GLN A 23 4.647 -11.943 4.891 1.00 0.00 N ATOM 0 H GLN A 23 4.771 -9.331 1.274 1.00 0.00 H new ATOM 0 HA GLN A 23 3.786 -6.849 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.240 -7.916 4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.091 -8.814 3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.978 -10.354 2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.001 -9.514 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.152 -12.314 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.305 -12.575 5.614 1.00 0.00 H new ATOM 337 N ILE A 24 5.954 -5.796 2.498 1.00 0.00 N ATOM 338 CA ILE A 24 7.200 -5.078 2.466 1.00 0.00 C ATOM 339 C ILE A 24 7.282 -4.278 3.748 1.00 0.00 C ATOM 340 O ILE A 24 6.274 -3.723 4.184 1.00 0.00 O ATOM 341 CB ILE A 24 7.316 -4.114 1.214 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.994 -4.826 -0.105 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.698 -3.525 1.097 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.531 -4.909 -0.423 1.00 0.00 C ATOM 0 H ILE A 24 5.129 -5.197 2.467 1.00 0.00 H new ATOM 0 HA ILE A 24 8.022 -5.788 2.378 1.00 0.00 H new ATOM 0 HB ILE A 24 6.583 -3.326 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.501 -4.306 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.403 -5.836 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.742 -2.869 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.927 -2.952 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.427 -4.327 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.394 -5.427 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.017 -5.457 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.117 -3.903 -0.496 1.00 0.00 H new ATOM 356 N ARG A 25 8.448 -4.229 4.357 1.00 0.00 N ATOM 357 CA ARG A 25 8.593 -3.580 5.633 1.00 0.00 C ATOM 358 C ARG A 25 8.382 -2.081 5.525 1.00 0.00 C ATOM 359 O ARG A 25 9.086 -1.383 4.793 1.00 0.00 O ATOM 360 CB ARG A 25 9.932 -3.929 6.291 1.00 0.00 C ATOM 361 CG ARG A 25 11.154 -3.506 5.518 1.00 0.00 C ATOM 362 CD ARG A 25 12.413 -4.052 6.143 1.00 0.00 C ATOM 363 NE ARG A 25 13.593 -3.545 5.460 1.00 0.00 N ATOM 364 CZ ARG A 25 14.417 -4.260 4.700 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.237 -5.568 4.544 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.424 -3.660 4.106 1.00 0.00 N ATOM 0 H ARG A 25 9.307 -4.633 3.985 1.00 0.00 H new ATOM 0 HA ARG A 25 7.809 -3.962 6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.966 -3.465 7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.974 -5.007 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.075 -3.856 4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.206 -2.418 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.451 -3.775 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.403 -5.141 6.100 1.00 0.00 H new ATOM 0 HE ARG A 25 13.807 -2.554 5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.459 -6.035 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.877 -6.105 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.566 -2.658 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.064 -4.197 3.520 1.00 0.00 H new ATOM 380 N ILE A 26 7.419 -1.588 6.275 1.00 0.00 N ATOM 381 CA ILE A 26 7.044 -0.181 6.254 1.00 0.00 C ATOM 382 C ILE A 26 8.178 0.734 6.677 1.00 0.00 C ATOM 383 O ILE A 26 8.207 1.905 6.327 1.00 0.00 O ATOM 384 CB ILE A 26 5.721 0.106 7.056 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.752 -0.384 8.536 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.548 -0.526 6.342 1.00 0.00 C ATOM 387 CD1 ILE A 26 6.614 0.420 9.492 1.00 0.00 C ATOM 0 H ILE A 26 6.868 -2.152 6.922 1.00 0.00 H new ATOM 0 HA ILE A 26 6.831 0.054 5.211 1.00 0.00 H new ATOM 0 HB ILE A 26 5.621 1.191 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.731 -0.388 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.100 -1.417 8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.633 -0.326 6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.462 -0.105 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.702 -1.603 6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.555 -0.016 10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.649 0.405 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.258 1.450 9.525 1.00 0.00 H new ATOM 399 N GLN A 27 9.159 0.163 7.353 1.00 0.00 N ATOM 400 CA GLN A 27 10.275 0.929 7.860 1.00 0.00 C ATOM 401 C GLN A 27 11.207 1.319 6.719 1.00 0.00 C ATOM 402 O GLN A 27 12.019 2.229 6.852 1.00 0.00 O ATOM 403 CB GLN A 27 11.052 0.133 8.912 1.00 0.00 C ATOM 404 CG GLN A 27 11.762 -1.089 8.352 1.00 0.00 C ATOM 405 CD GLN A 27 12.683 -1.761 9.342 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.284 -2.663 10.075 1.00 0.00 O ATOM 407 NE2 GLN A 27 13.916 -1.342 9.364 1.00 0.00 N ATOM 0 H GLN A 27 9.202 -0.834 7.563 1.00 0.00 H new ATOM 0 HA GLN A 27 9.881 1.831 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.788 0.787 9.380 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.364 -0.185 9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.016 -1.809 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.338 -0.794 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.210 -0.591 8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.587 -1.765 10.005 1.00 0.00 H new ATOM 416 N GLN A 28 11.078 0.643 5.584 1.00 0.00 N ATOM 417 CA GLN A 28 11.956 0.926 4.486 1.00 0.00 C ATOM 418 C GLN A 28 11.339 1.978 3.580 1.00 0.00 C ATOM 419 O GLN A 28 12.026 2.624 2.808 1.00 0.00 O ATOM 420 CB GLN A 28 12.317 -0.328 3.690 1.00 0.00 C ATOM 421 CG GLN A 28 11.265 -0.813 2.717 1.00 0.00 C ATOM 422 CD GLN A 28 11.838 -1.647 1.590 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.294 -1.673 0.509 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.956 -2.292 1.816 1.00 0.00 N ATOM 0 H GLN A 28 10.386 -0.087 5.413 1.00 0.00 H new ATOM 0 HA GLN A 28 12.886 1.313 4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.235 -0.133 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.534 -1.132 4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.524 -1.402 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.744 0.047 2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.391 -2.251 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.391 -2.835 1.070 1.00 0.00 H new ATOM 433 N LEU A 29 10.028 2.156 3.691 1.00 0.00 N ATOM 434 CA LEU A 29 9.335 3.169 2.890 1.00 0.00 C ATOM 435 C LEU A 29 9.168 4.412 3.669 1.00 0.00 C ATOM 436 O LEU A 29 8.587 5.380 3.187 1.00 0.00 O ATOM 437 CB LEU A 29 7.962 2.727 2.386 1.00 0.00 C ATOM 438 CG LEU A 29 7.922 1.586 1.384 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.047 1.721 0.366 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.913 0.239 2.077 1.00 0.00 C ATOM 0 H LEU A 29 9.426 1.622 4.318 1.00 0.00 H new ATOM 0 HA LEU A 29 9.967 3.332 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.362 2.439 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.475 3.591 1.933 1.00 0.00 H new ATOM 0 HG LEU A 29 6.985 1.647 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.999 0.893 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.941 2.664 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.008 1.703 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.884 -0.554 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.814 0.135 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.035 0.166 2.718 1.00 0.00 H new ATOM 452 N ASN A 30 9.698 4.380 4.863 1.00 0.00 N ATOM 453 CA ASN A 30 9.633 5.473 5.810 1.00 0.00 C ATOM 454 C ASN A 30 10.104 6.770 5.192 1.00 0.00 C ATOM 455 O ASN A 30 9.477 7.785 5.388 1.00 0.00 O ATOM 456 CB ASN A 30 10.498 5.154 7.024 1.00 0.00 C ATOM 457 CG ASN A 30 10.496 6.237 8.092 1.00 0.00 C ATOM 458 OD1 ASN A 30 9.487 6.900 8.346 1.00 0.00 O ATOM 459 ND2 ASN A 30 11.631 6.438 8.710 1.00 0.00 N ATOM 0 H ASN A 30 10.204 3.569 5.219 1.00 0.00 H new ATOM 0 HA ASN A 30 8.592 5.593 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.152 4.221 7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.523 4.988 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.701 7.161 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.446 5.872 8.476 1.00 0.00 H new ATOM 466 N HIS A 31 11.158 6.720 4.376 1.00 0.00 N ATOM 467 CA HIS A 31 11.721 7.956 3.838 1.00 0.00 C ATOM 468 C HIS A 31 10.754 8.531 2.832 1.00 0.00 C ATOM 469 O HIS A 31 10.362 9.683 2.950 1.00 0.00 O ATOM 470 CB HIS A 31 13.068 7.731 3.171 1.00 0.00 C ATOM 471 CG HIS A 31 13.897 8.969 2.982 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.213 9.051 3.335 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.588 10.169 2.421 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.662 10.249 2.993 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.713 10.980 2.434 1.00 0.00 N ATOM 0 H HIS A 31 11.627 5.864 4.081 1.00 0.00 H new ATOM 0 HA HIS A 31 11.878 8.646 4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.637 7.018 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.902 7.271 2.197 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.757 8.315 3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.621 10.446 2.028 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.676 10.586 3.151 1.00 0.00 H new ATOM 483 N CYS A 32 10.353 7.706 1.867 1.00 0.00 N ATOM 484 CA CYS A 32 9.394 8.108 0.854 1.00 0.00 C ATOM 485 C CYS A 32 8.117 8.620 1.508 1.00 0.00 C ATOM 486 O CYS A 32 7.668 9.720 1.219 1.00 0.00 O ATOM 487 CB CYS A 32 9.106 6.947 -0.119 1.00 0.00 C ATOM 488 SG CYS A 32 10.070 6.970 -1.657 1.00 0.00 S ATOM 0 H CYS A 32 10.685 6.746 1.770 1.00 0.00 H new ATOM 0 HA CYS A 32 9.822 8.923 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.297 6.006 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.046 6.962 -0.373 1.00 0.00 H new ATOM 493 N GLN A 33 7.590 7.840 2.431 1.00 0.00 N ATOM 494 CA GLN A 33 6.430 8.187 3.198 1.00 0.00 C ATOM 495 C GLN A 33 6.581 9.552 3.905 1.00 0.00 C ATOM 496 O GLN A 33 5.814 10.480 3.644 1.00 0.00 O ATOM 497 CB GLN A 33 6.193 7.109 4.233 1.00 0.00 C ATOM 498 CG GLN A 33 5.142 7.474 5.231 1.00 0.00 C ATOM 499 CD GLN A 33 5.075 6.543 6.414 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.081 5.976 6.832 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.915 6.390 6.979 1.00 0.00 N ATOM 0 H GLN A 33 7.974 6.925 2.668 1.00 0.00 H new ATOM 0 HA GLN A 33 5.585 8.267 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.902 6.187 3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.127 6.905 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.330 8.487 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.172 7.486 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.099 6.875 6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.821 5.785 7.794 1.00 0.00 H new ATOM 510 N MET A 34 7.591 9.670 4.768 1.00 0.00 N ATOM 511 CA MET A 34 7.753 10.873 5.586 1.00 0.00 C ATOM 512 C MET A 34 8.055 12.086 4.750 1.00 0.00 C ATOM 513 O MET A 34 7.506 13.132 4.982 1.00 0.00 O ATOM 514 CB MET A 34 8.822 10.723 6.692 1.00 0.00 C ATOM 515 CG MET A 34 10.257 10.532 6.201 1.00 0.00 C ATOM 516 SD MET A 34 11.471 10.431 7.532 1.00 0.00 S ATOM 517 CE MET A 34 11.335 12.078 8.226 1.00 0.00 C ATOM 0 H MET A 34 8.303 8.955 4.918 1.00 0.00 H new ATOM 0 HA MET A 34 6.790 11.011 6.078 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.789 11.608 7.327 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.555 9.872 7.318 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.309 9.622 5.604 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.520 11.360 5.543 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.232 12.305 8.802 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.227 12.804 7.421 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.463 12.127 8.878 1.00 0.00 H new ATOM 527 N HIS A 35 8.891 11.923 3.756 1.00 0.00 N ATOM 528 CA HIS A 35 9.336 13.033 2.915 1.00 0.00 C ATOM 529 C HIS A 35 8.167 13.579 2.095 1.00 0.00 C ATOM 530 O HIS A 35 8.166 14.743 1.692 1.00 0.00 O ATOM 531 CB HIS A 35 10.455 12.560 1.976 1.00 0.00 C ATOM 532 CG HIS A 35 11.312 13.646 1.389 1.00 0.00 C ATOM 533 ND1 HIS A 35 10.837 14.843 0.893 1.00 0.00 N ATOM 534 CD2 HIS A 35 12.652 13.689 1.242 1.00 0.00 C ATOM 535 CE1 HIS A 35 11.875 15.562 0.466 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.011 14.905 0.654 1.00 0.00 N ATOM 0 H HIS A 35 9.289 11.020 3.497 1.00 0.00 H new ATOM 0 HA HIS A 35 9.717 13.828 3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.098 11.871 2.524 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.005 11.995 1.159 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.858 15.129 0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.339 12.908 1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.801 16.546 0.027 1.00 0.00 H new ATOM 544 N LEU A 36 7.194 12.738 1.839 1.00 0.00 N ATOM 545 CA LEU A 36 6.039 13.154 1.090 1.00 0.00 C ATOM 546 C LEU A 36 4.954 13.734 1.980 1.00 0.00 C ATOM 547 O LEU A 36 4.149 14.536 1.533 1.00 0.00 O ATOM 548 CB LEU A 36 5.505 12.027 0.225 1.00 0.00 C ATOM 549 CG LEU A 36 6.473 11.504 -0.846 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.853 10.384 -1.631 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.946 12.610 -1.778 1.00 0.00 C ATOM 0 H LEU A 36 7.181 11.763 2.139 1.00 0.00 H new ATOM 0 HA LEU A 36 6.364 13.956 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.223 11.197 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.595 12.370 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 36 7.349 11.120 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.559 10.032 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.601 9.564 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.948 10.742 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.629 12.194 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.087 13.052 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.461 13.377 -1.200 1.00 0.00 H new ATOM 563 N THR A 37 4.905 13.339 3.221 1.00 0.00 N ATOM 564 CA THR A 37 3.924 13.930 4.094 1.00 0.00 C ATOM 565 C THR A 37 4.461 15.200 4.769 1.00 0.00 C ATOM 566 O THR A 37 3.693 16.043 5.279 1.00 0.00 O ATOM 567 CB THR A 37 3.401 12.912 5.121 1.00 0.00 C ATOM 568 OG1 THR A 37 4.487 12.373 5.902 1.00 0.00 O ATOM 569 CG2 THR A 37 2.729 11.772 4.396 1.00 0.00 C ATOM 0 H THR A 37 5.510 12.634 3.643 1.00 0.00 H new ATOM 0 HA THR A 37 3.076 14.231 3.479 1.00 0.00 H new ATOM 0 HB THR A 37 2.697 13.420 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.251 11.475 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.357 11.048 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.896 12.156 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.448 11.287 3.735 1.00 0.00 H new ATOM 577 N SER A 38 5.766 15.327 4.781 1.00 0.00 N ATOM 578 CA SER A 38 6.408 16.455 5.392 1.00 0.00 C ATOM 579 C SER A 38 6.620 17.615 4.432 1.00 0.00 C ATOM 580 O SER A 38 6.990 17.430 3.261 1.00 0.00 O ATOM 581 CB SER A 38 7.722 16.064 6.082 1.00 0.00 C ATOM 582 OG SER A 38 8.635 15.466 5.177 1.00 0.00 O ATOM 0 H SER A 38 6.408 14.650 4.367 1.00 0.00 H new ATOM 0 HA SER A 38 5.717 16.806 6.158 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.177 16.950 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.512 15.372 6.897 1.00 0.00 H new ATOM 0 HG SER A 38 8.468 14.501 5.134 1.00 0.00 H new ATOM 588 N PHE A 39 6.396 18.788 4.928 1.00 0.00 N ATOM 589 CA PHE A 39 6.694 19.988 4.225 1.00 0.00 C ATOM 590 C PHE A 39 7.668 20.745 5.076 1.00 0.00 C ATOM 591 O PHE A 39 7.283 21.532 5.963 1.00 0.00 O ATOM 592 CB PHE A 39 5.438 20.807 3.913 1.00 0.00 C ATOM 593 CG PHE A 39 4.499 20.103 2.978 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.759 20.078 1.620 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.368 19.465 3.455 1.00 0.00 C ATOM 596 CE1 PHE A 39 3.910 19.430 0.752 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.515 18.814 2.590 1.00 0.00 C ATOM 598 CZ PHE A 39 2.789 18.798 1.236 1.00 0.00 C ATOM 0 H PHE A 39 5.992 18.939 5.852 1.00 0.00 H new ATOM 0 HA PHE A 39 7.126 19.765 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.916 21.031 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.732 21.761 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.639 20.573 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.152 19.477 4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.124 19.418 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.634 18.317 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.122 18.288 0.557 1.00 0.00 H new ATOM 608 N ASP A 40 8.921 20.419 4.877 1.00 0.00 N ATOM 609 CA ASP A 40 10.006 20.931 5.689 1.00 0.00 C ATOM 610 C ASP A 40 10.313 22.378 5.339 1.00 0.00 C ATOM 611 O ASP A 40 9.786 22.932 4.372 1.00 0.00 O ATOM 612 CB ASP A 40 11.243 20.045 5.522 1.00 0.00 C ATOM 613 CG ASP A 40 12.190 20.067 6.705 1.00 0.00 C ATOM 614 OD1 ASP A 40 12.437 18.996 7.295 1.00 0.00 O ATOM 615 OD2 ASP A 40 12.739 21.122 7.035 1.00 0.00 O ATOM 0 H ASP A 40 9.224 19.783 4.139 1.00 0.00 H new ATOM 0 HA ASP A 40 9.702 20.908 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.920 19.018 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.785 20.362 4.631 1.00 0.00 H new ATOM 620 N TYR A 41 11.183 22.952 6.088 1.00 0.00 N ATOM 621 CA TYR A 41 11.494 24.338 6.009 1.00 0.00 C ATOM 622 C TYR A 41 12.830 24.578 5.357 1.00 0.00 C ATOM 623 O TYR A 41 13.020 25.584 4.684 1.00 0.00 O ATOM 624 CB TYR A 41 11.467 24.933 7.417 1.00 0.00 C ATOM 625 CG TYR A 41 12.345 24.202 8.432 1.00 0.00 C ATOM 626 CD1 TYR A 41 11.798 23.280 9.313 1.00 0.00 C ATOM 627 CD2 TYR A 41 13.709 24.424 8.492 1.00 0.00 C ATOM 628 CE1 TYR A 41 12.590 22.608 10.223 1.00 0.00 C ATOM 629 CE2 TYR A 41 14.501 23.757 9.387 1.00 0.00 C ATOM 630 CZ TYR A 41 13.943 22.851 10.251 1.00 0.00 C ATOM 631 OH TYR A 41 14.744 22.189 11.156 1.00 0.00 O ATOM 0 H TYR A 41 11.719 22.454 6.799 1.00 0.00 H new ATOM 0 HA TYR A 41 10.746 24.827 5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.785 25.974 7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.439 24.932 7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.736 23.085 9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 41 14.158 25.139 7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.150 21.897 10.907 1.00 0.00 H new ATOM 0 HE2 TYR A 41 15.564 23.944 9.412 1.00 0.00 H new ATOM 0 HH TYR A 41 15.674 22.476 11.041 1.00 0.00 H new ATOM 641 N LYS A 42 13.759 23.644 5.517 1.00 0.00 N ATOM 642 CA LYS A 42 15.105 23.874 5.015 1.00 0.00 C ATOM 643 C LYS A 42 15.230 23.489 3.546 1.00 0.00 C ATOM 644 O LYS A 42 16.323 23.444 2.987 1.00 0.00 O ATOM 645 CB LYS A 42 16.182 23.212 5.912 1.00 0.00 C ATOM 646 CG LYS A 42 16.549 21.738 5.646 1.00 0.00 C ATOM 647 CD LYS A 42 15.401 20.793 5.825 1.00 0.00 C ATOM 648 CE LYS A 42 15.851 19.335 5.737 1.00 0.00 C ATOM 649 NZ LYS A 42 14.722 18.380 5.885 1.00 0.00 N ATOM 0 H LYS A 42 13.612 22.745 5.977 1.00 0.00 H new ATOM 0 HA LYS A 42 15.295 24.946 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.094 23.802 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.847 23.290 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.930 21.645 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.357 21.447 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.930 20.971 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.647 20.988 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.341 19.167 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.592 19.140 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.094 17.413 5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.176 18.618 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.105 18.440 5.050 1.00 0.00 H new ATOM 663 N LEU A 43 14.093 23.236 2.934 1.00 0.00 N ATOM 664 CA LEU A 43 14.018 22.945 1.516 1.00 0.00 C ATOM 665 C LEU A 43 14.304 24.224 0.720 1.00 0.00 C ATOM 666 O LEU A 43 13.407 25.025 0.480 1.00 0.00 O ATOM 667 CB LEU A 43 12.614 22.438 1.177 1.00 0.00 C ATOM 668 CG LEU A 43 12.154 21.197 1.933 1.00 0.00 C ATOM 669 CD1 LEU A 43 10.672 20.958 1.714 1.00 0.00 C ATOM 670 CD2 LEU A 43 12.960 19.979 1.513 1.00 0.00 C ATOM 0 H LEU A 43 13.190 23.226 3.407 1.00 0.00 H new ATOM 0 HA LEU A 43 14.753 22.183 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.903 23.241 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.574 22.225 0.109 1.00 0.00 H new ATOM 0 HG LEU A 43 12.322 21.365 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.362 20.068 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.108 21.819 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.480 20.815 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.614 19.106 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.830 19.807 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.015 20.149 1.727 1.00 0.00 H new ATOM 682 N ARG A 44 15.551 24.446 0.387 1.00 0.00 N ATOM 683 CA ARG A 44 15.935 25.628 -0.366 1.00 0.00 C ATOM 684 C ARG A 44 15.955 25.335 -1.841 1.00 0.00 C ATOM 685 O ARG A 44 15.698 26.206 -2.664 1.00 0.00 O ATOM 686 CB ARG A 44 17.311 26.124 0.043 1.00 0.00 C ATOM 687 CG ARG A 44 17.439 26.592 1.477 1.00 0.00 C ATOM 688 CD ARG A 44 18.856 27.066 1.736 1.00 0.00 C ATOM 689 NE ARG A 44 19.829 25.995 1.498 1.00 0.00 N ATOM 690 CZ ARG A 44 20.916 26.081 0.716 1.00 0.00 C ATOM 691 NH1 ARG A 44 21.211 27.221 0.082 1.00 0.00 N ATOM 692 NH2 ARG A 44 21.699 25.020 0.571 1.00 0.00 N ATOM 0 H ARG A 44 16.325 23.825 0.624 1.00 0.00 H new ATOM 0 HA ARG A 44 15.195 26.398 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.031 25.323 -0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.591 26.947 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.734 27.401 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.187 25.780 2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.081 27.915 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 44 18.942 27.416 2.765 1.00 0.00 H new ATOM 0 HE ARG A 44 19.665 25.105 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 44 20.607 28.036 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 44 22.040 27.276 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 44 21.472 24.149 1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 44 22.528 25.075 -0.021 1.00 0.00 H new ATOM 706 N MET A 45 16.265 24.118 -2.175 1.00 0.00 N ATOM 707 CA MET A 45 16.368 23.726 -3.548 1.00 0.00 C ATOM 708 C MET A 45 15.337 22.683 -3.862 1.00 0.00 C ATOM 709 O MET A 45 15.638 21.491 -4.015 1.00 0.00 O ATOM 710 CB MET A 45 17.791 23.264 -3.893 1.00 0.00 C ATOM 711 CG MET A 45 18.826 24.369 -3.748 1.00 0.00 C ATOM 712 SD MET A 45 20.511 23.821 -4.060 1.00 0.00 S ATOM 713 CE MET A 45 21.394 25.369 -3.821 1.00 0.00 C ATOM 0 H MET A 45 16.453 23.372 -1.506 1.00 0.00 H new ATOM 0 HA MET A 45 16.167 24.593 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 45 18.064 22.431 -3.245 1.00 0.00 H new ATOM 0 HB3 MET A 45 17.808 22.890 -4.917 1.00 0.00 H new ATOM 0 HG2 MET A 45 18.582 25.177 -4.438 1.00 0.00 H new ATOM 0 HG3 MET A 45 18.767 24.781 -2.741 1.00 0.00 H new ATOM 0 HE1 MET A 45 22.460 25.207 -3.978 1.00 0.00 H new ATOM 0 HE2 MET A 45 21.030 26.109 -4.534 1.00 0.00 H new ATOM 0 HE3 MET A 45 21.227 25.730 -2.806 1.00 0.00 H new ATOM 723 N ALA A 46 14.111 23.125 -3.863 1.00 0.00 N ATOM 724 CA ALA A 46 12.979 22.282 -4.143 1.00 0.00 C ATOM 725 C ALA A 46 12.138 22.907 -5.251 1.00 0.00 C ATOM 726 O ALA A 46 10.932 22.651 -5.370 1.00 0.00 O ATOM 727 CB ALA A 46 12.163 22.098 -2.876 1.00 0.00 C ATOM 0 H ALA A 46 13.864 24.095 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 46 13.317 21.303 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.305 21.460 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.782 21.633 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.815 23.069 -2.523 1.00 0.00 H new ATOM 733 N VAL A 47 12.798 23.671 -6.100 1.00 0.00 N ATOM 734 CA VAL A 47 12.136 24.381 -7.184 1.00 0.00 C ATOM 735 C VAL A 47 11.911 23.440 -8.375 1.00 0.00 C ATOM 736 O VAL A 47 10.769 23.092 -8.717 1.00 0.00 O ATOM 737 CB VAL A 47 12.984 25.604 -7.632 1.00 0.00 C ATOM 738 CG1 VAL A 47 12.289 26.406 -8.728 1.00 0.00 C ATOM 739 CG2 VAL A 47 13.302 26.491 -6.444 1.00 0.00 C ATOM 0 H VAL A 47 13.806 23.819 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 47 11.171 24.736 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 47 13.916 25.223 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.915 27.252 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.124 25.768 -9.596 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.331 26.772 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.896 27.343 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.374 26.848 -5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.865 25.921 -5.705 1.00 0.00 H new ATOM 749 N GLU A 48 12.997 23.028 -8.975 1.00 0.00 N ATOM 750 CA GLU A 48 13.002 22.133 -10.127 1.00 0.00 C ATOM 751 C GLU A 48 14.326 21.413 -10.117 1.00 0.00 C ATOM 752 O GLU A 48 14.844 20.962 -11.152 1.00 0.00 O ATOM 753 CB GLU A 48 12.880 22.938 -11.426 1.00 0.00 C ATOM 754 CG GLU A 48 13.944 24.014 -11.582 1.00 0.00 C ATOM 755 CD GLU A 48 14.069 24.503 -12.991 1.00 0.00 C ATOM 756 OE1 GLU A 48 13.326 25.413 -13.388 1.00 0.00 O ATOM 757 OE2 GLU A 48 14.933 23.989 -13.730 1.00 0.00 O ATOM 0 H GLU A 48 13.932 23.307 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 48 12.165 21.437 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.940 22.255 -12.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.896 23.405 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.704 24.854 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.905 23.619 -11.252 1.00 0.00 H new ATOM 764 N ASN A 49 14.827 21.251 -8.946 1.00 0.00 N ATOM 765 CA ASN A 49 16.162 20.790 -8.749 1.00 0.00 C ATOM 766 C ASN A 49 16.244 19.294 -8.829 1.00 0.00 C ATOM 767 O ASN A 49 15.453 18.595 -8.211 1.00 0.00 O ATOM 768 CB ASN A 49 16.680 21.265 -7.394 1.00 0.00 C ATOM 769 CG ASN A 49 16.718 22.771 -7.289 1.00 0.00 C ATOM 770 OD1 ASN A 49 15.720 23.405 -6.914 1.00 0.00 O ATOM 771 ND2 ASN A 49 17.847 23.353 -7.600 1.00 0.00 N ATOM 0 H ASN A 49 14.317 21.436 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 49 16.781 21.204 -9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.045 20.864 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.681 20.867 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.932 24.368 -7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 49 18.643 22.792 -7.904 1.00 0.00 H new ATOM 778 N PRO A 50 17.220 18.767 -9.582 1.00 0.00 N ATOM 779 CA PRO A 50 17.471 17.317 -9.659 1.00 0.00 C ATOM 780 C PRO A 50 17.841 16.757 -8.277 1.00 0.00 C ATOM 781 O PRO A 50 17.747 15.560 -8.023 1.00 0.00 O ATOM 782 CB PRO A 50 18.674 17.217 -10.612 1.00 0.00 C ATOM 783 CG PRO A 50 19.276 18.578 -10.601 1.00 0.00 C ATOM 784 CD PRO A 50 18.133 19.517 -10.467 1.00 0.00 C ATOM 0 HA PRO A 50 16.602 16.752 -9.997 1.00 0.00 H new ATOM 0 HB2 PRO A 50 19.387 16.465 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 50 18.362 16.930 -11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.976 18.691 -9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.834 18.768 -11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.436 20.468 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 50 17.674 19.741 -11.430 1.00 0.00 H new ATOM 792 N LYS A 51 18.221 17.663 -7.379 1.00 0.00 N ATOM 793 CA LYS A 51 18.581 17.342 -6.011 1.00 0.00 C ATOM 794 C LYS A 51 17.392 16.854 -5.198 1.00 0.00 C ATOM 795 O LYS A 51 17.565 16.266 -4.137 1.00 0.00 O ATOM 796 CB LYS A 51 19.153 18.549 -5.317 1.00 0.00 C ATOM 797 CG LYS A 51 20.451 19.049 -5.894 1.00 0.00 C ATOM 798 CD LYS A 51 20.964 20.240 -5.119 1.00 0.00 C ATOM 799 CE LYS A 51 21.146 19.900 -3.643 1.00 0.00 C ATOM 800 NZ LYS A 51 21.773 20.988 -2.879 1.00 0.00 N ATOM 0 H LYS A 51 18.287 18.658 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 51 19.320 16.543 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.420 19.355 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.307 18.308 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.193 18.251 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.307 19.325 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.915 20.569 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.266 21.071 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.175 19.669 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.757 19.002 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.544 20.881 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.805 20.951 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.415 21.903 -3.220 1.00 0.00 H new ATOM 814 N GLN A 52 16.190 17.121 -5.680 1.00 0.00 N ATOM 815 CA GLN A 52 14.975 16.701 -4.984 1.00 0.00 C ATOM 816 C GLN A 52 14.835 15.194 -5.070 1.00 0.00 C ATOM 817 O GLN A 52 14.301 14.550 -4.177 1.00 0.00 O ATOM 818 CB GLN A 52 13.760 17.349 -5.616 1.00 0.00 C ATOM 819 CG GLN A 52 13.793 18.858 -5.602 1.00 0.00 C ATOM 820 CD GLN A 52 12.676 19.476 -6.412 1.00 0.00 C ATOM 821 OE1 GLN A 52 12.836 20.551 -6.980 1.00 0.00 O ATOM 822 NE2 GLN A 52 11.548 18.820 -6.474 1.00 0.00 N ATOM 0 H GLN A 52 16.024 17.627 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 52 15.044 17.008 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.674 17.007 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.866 17.010 -5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.726 19.209 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.751 19.200 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.449 17.928 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.766 19.200 -7.007 1.00 0.00 H new ATOM 831 N GLN A 53 15.419 14.641 -6.123 1.00 0.00 N ATOM 832 CA GLN A 53 15.368 13.220 -6.432 1.00 0.00 C ATOM 833 C GLN A 53 16.274 12.407 -5.510 1.00 0.00 C ATOM 834 O GLN A 53 16.414 11.194 -5.680 1.00 0.00 O ATOM 835 CB GLN A 53 15.761 13.001 -7.883 1.00 0.00 C ATOM 836 CG GLN A 53 14.838 13.689 -8.873 1.00 0.00 C ATOM 837 CD GLN A 53 15.299 13.564 -10.310 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.600 13.534 -10.530 1.00 0.00 O flip ATOM 839 NE2 GLN A 53 14.482 13.518 -11.229 1.00 0.00 N flip ATOM 0 H GLN A 53 15.954 15.181 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 53 14.347 12.875 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.778 13.364 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.770 11.931 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.838 13.265 -8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.761 14.745 -8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.483 13.543 -11.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.804 13.455 -12.195 1.00 0.00 H new ATOM 848 N GLN A 54 16.861 13.081 -4.527 1.00 0.00 N ATOM 849 CA GLN A 54 17.705 12.462 -3.512 1.00 0.00 C ATOM 850 C GLN A 54 16.954 11.317 -2.834 1.00 0.00 C ATOM 851 O GLN A 54 17.478 10.220 -2.666 1.00 0.00 O ATOM 852 CB GLN A 54 18.112 13.511 -2.461 1.00 0.00 C ATOM 853 CG GLN A 54 16.924 14.200 -1.776 1.00 0.00 C ATOM 854 CD GLN A 54 17.333 15.139 -0.670 1.00 0.00 C ATOM 855 OE1 GLN A 54 18.349 14.933 -0.003 1.00 0.00 O ATOM 856 NE2 GLN A 54 16.554 16.166 -0.461 1.00 0.00 N ATOM 0 H GLN A 54 16.762 14.090 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 54 18.601 12.066 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 54 18.727 13.029 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.732 14.269 -2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.356 14.755 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.258 13.439 -1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.722 16.300 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.777 16.834 0.277 1.00 0.00 H new ATOM 865 N HIS A 55 15.688 11.569 -2.529 1.00 0.00 N ATOM 866 CA HIS A 55 14.853 10.608 -1.861 1.00 0.00 C ATOM 867 C HIS A 55 14.582 9.408 -2.742 1.00 0.00 C ATOM 868 O HIS A 55 14.418 8.314 -2.254 1.00 0.00 O ATOM 869 CB HIS A 55 13.544 11.247 -1.307 1.00 0.00 C ATOM 870 CG HIS A 55 12.721 12.065 -2.288 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.976 13.164 -1.929 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.507 11.897 -3.609 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.342 13.609 -3.010 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.628 12.872 -4.065 1.00 0.00 N ATOM 0 H HIS A 55 15.220 12.450 -2.743 1.00 0.00 H new ATOM 0 HA HIS A 55 15.404 10.249 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.914 10.448 -0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.807 11.887 -0.465 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.951 11.124 -4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.680 14.462 -3.022 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.278 12.992 -5.015 1.00 0.00 H new ATOM 882 N LEU A 56 14.634 9.611 -4.046 1.00 0.00 N ATOM 883 CA LEU A 56 14.389 8.549 -4.987 1.00 0.00 C ATOM 884 C LEU A 56 15.597 7.656 -5.010 1.00 0.00 C ATOM 885 O LEU A 56 15.464 6.456 -4.954 1.00 0.00 O ATOM 886 CB LEU A 56 14.035 9.113 -6.399 1.00 0.00 C ATOM 887 CG LEU A 56 13.687 8.108 -7.548 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.912 7.397 -8.122 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.649 7.093 -7.092 1.00 0.00 C ATOM 0 H LEU A 56 14.846 10.512 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 56 13.522 7.964 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.186 9.787 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.878 9.718 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 56 13.268 8.709 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.600 6.716 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.603 8.135 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.408 6.833 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.426 6.408 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.038 6.531 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.738 7.613 -6.796 1.00 0.00 H new ATOM 901 N SER A 57 16.774 8.259 -5.032 1.00 0.00 N ATOM 902 CA SER A 57 18.030 7.528 -5.024 1.00 0.00 C ATOM 903 C SER A 57 18.126 6.617 -3.781 1.00 0.00 C ATOM 904 O SER A 57 18.732 5.552 -3.817 1.00 0.00 O ATOM 905 CB SER A 57 19.175 8.533 -5.035 1.00 0.00 C ATOM 906 OG SER A 57 19.032 9.445 -6.125 1.00 0.00 O ATOM 0 H SER A 57 16.886 9.273 -5.056 1.00 0.00 H new ATOM 0 HA SER A 57 18.086 6.890 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.193 9.082 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.127 8.008 -5.116 1.00 0.00 H new ATOM 0 HG SER A 57 19.775 10.084 -6.116 1.00 0.00 H new ATOM 912 N LEU A 58 17.504 7.047 -2.707 1.00 0.00 N ATOM 913 CA LEU A 58 17.495 6.298 -1.465 1.00 0.00 C ATOM 914 C LEU A 58 16.373 5.247 -1.478 1.00 0.00 C ATOM 915 O LEU A 58 16.620 4.053 -1.350 1.00 0.00 O ATOM 916 CB LEU A 58 17.293 7.287 -0.314 1.00 0.00 C ATOM 917 CG LEU A 58 18.277 8.460 -0.309 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.961 9.429 0.797 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.712 7.976 -0.199 1.00 0.00 C ATOM 0 H LEU A 58 16.989 7.926 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 58 18.440 5.769 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.278 7.680 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.382 6.750 0.630 1.00 0.00 H new ATOM 0 HG LEU A 58 18.168 8.981 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.676 10.251 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.953 9.821 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.024 8.918 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.386 8.833 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.837 7.415 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.945 7.332 -1.047 1.00 0.00 H new ATOM 931 N CYS A 59 15.166 5.717 -1.697 1.00 0.00 N ATOM 932 CA CYS A 59 13.942 4.912 -1.674 1.00 0.00 C ATOM 933 C CYS A 59 13.967 3.826 -2.754 1.00 0.00 C ATOM 934 O CYS A 59 13.734 2.661 -2.457 1.00 0.00 O ATOM 935 CB CYS A 59 12.777 5.861 -1.880 1.00 0.00 C ATOM 936 SG CYS A 59 11.107 5.227 -1.654 1.00 0.00 S ATOM 0 H CYS A 59 14.992 6.701 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 59 13.849 4.393 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.908 6.701 -1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.847 6.258 -2.893 1.00 0.00 H new ATOM 941 N CYS A 60 14.300 4.205 -4.000 1.00 0.00 N ATOM 942 CA CYS A 60 14.397 3.255 -5.109 1.00 0.00 C ATOM 943 C CYS A 60 15.426 2.190 -4.804 1.00 0.00 C ATOM 944 O CYS A 60 15.210 1.027 -5.080 1.00 0.00 O ATOM 945 CB CYS A 60 14.718 3.977 -6.439 1.00 0.00 C ATOM 946 SG CYS A 60 14.963 2.914 -7.914 1.00 0.00 S ATOM 0 H CYS A 60 14.507 5.170 -4.260 1.00 0.00 H new ATOM 0 HA CYS A 60 13.428 2.770 -5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.907 4.674 -6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.620 4.572 -6.294 1.00 0.00 H new ATOM 951 N ASN A 61 16.504 2.581 -4.140 1.00 0.00 N ATOM 952 CA ASN A 61 17.577 1.643 -3.808 1.00 0.00 C ATOM 953 C ASN A 61 17.130 0.692 -2.729 1.00 0.00 C ATOM 954 O ASN A 61 17.453 -0.477 -2.748 1.00 0.00 O ATOM 955 CB ASN A 61 18.832 2.386 -3.367 1.00 0.00 C ATOM 956 CG ASN A 61 20.010 1.466 -3.031 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.790 1.097 -3.905 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.185 1.138 -1.771 1.00 0.00 N ATOM 0 H ASN A 61 16.663 3.536 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 61 17.815 1.071 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.133 3.072 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.596 2.992 -2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.983 0.564 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.523 1.457 -1.064 1.00 0.00 H new ATOM 965 N GLN A 62 16.361 1.201 -1.821 1.00 0.00 N ATOM 966 CA GLN A 62 15.860 0.433 -0.718 1.00 0.00 C ATOM 967 C GLN A 62 14.786 -0.570 -1.188 1.00 0.00 C ATOM 968 O GLN A 62 14.813 -1.755 -0.824 1.00 0.00 O ATOM 969 CB GLN A 62 15.321 1.398 0.351 1.00 0.00 C ATOM 970 CG GLN A 62 14.773 0.739 1.602 1.00 0.00 C ATOM 971 CD GLN A 62 15.792 -0.070 2.400 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.445 -1.060 3.054 1.00 0.00 O ATOM 973 NE2 GLN A 62 17.028 0.320 2.370 1.00 0.00 N ATOM 0 H GLN A 62 16.057 2.175 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 62 16.665 -0.159 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.122 2.078 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.533 2.005 -0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.356 1.511 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.951 0.082 1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.291 1.140 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.738 -0.193 2.893 1.00 0.00 H new ATOM 982 N LEU A 63 13.886 -0.104 -2.034 1.00 0.00 N ATOM 983 CA LEU A 63 12.785 -0.925 -2.522 1.00 0.00 C ATOM 984 C LEU A 63 13.284 -1.972 -3.524 1.00 0.00 C ATOM 985 O LEU A 63 12.725 -3.045 -3.644 1.00 0.00 O ATOM 986 CB LEU A 63 11.688 -0.023 -3.161 1.00 0.00 C ATOM 987 CG LEU A 63 11.994 0.603 -4.523 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.655 -0.327 -5.657 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.291 1.917 -4.680 1.00 0.00 C ATOM 0 H LEU A 63 13.894 0.847 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 63 12.349 -1.457 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.780 -0.617 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.466 0.784 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 63 13.068 0.783 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.887 0.156 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.239 -1.243 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.593 -0.569 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.525 2.341 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.215 1.766 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.621 2.602 -3.899 1.00 0.00 H new ATOM 1001 N GLN A 64 14.337 -1.639 -4.254 1.00 0.00 N ATOM 1002 CA GLN A 64 14.865 -2.517 -5.296 1.00 0.00 C ATOM 1003 C GLN A 64 15.575 -3.728 -4.722 1.00 0.00 C ATOM 1004 O GLN A 64 15.857 -4.696 -5.449 1.00 0.00 O ATOM 1005 CB GLN A 64 15.782 -1.762 -6.255 1.00 0.00 C ATOM 1006 CG GLN A 64 17.112 -1.384 -5.669 1.00 0.00 C ATOM 1007 CD GLN A 64 17.995 -0.657 -6.655 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.515 0.067 -7.526 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.270 -0.844 -6.548 1.00 0.00 N ATOM 0 H GLN A 64 14.848 -0.763 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 64 14.005 -2.878 -5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.949 -2.377 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.274 -0.857 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.954 -0.753 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.622 -2.284 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.637 -1.451 -5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.909 -0.385 -7.197 1.00 0.00 H new ATOM 1018 N GLU A 65 15.873 -3.676 -3.437 1.00 0.00 N ATOM 1019 CA GLU A 65 16.503 -4.786 -2.767 1.00 0.00 C ATOM 1020 C GLU A 65 15.452 -5.831 -2.425 1.00 0.00 C ATOM 1021 O GLU A 65 15.761 -6.990 -2.119 1.00 0.00 O ATOM 1022 CB GLU A 65 17.234 -4.317 -1.522 1.00 0.00 C ATOM 1023 CG GLU A 65 18.315 -3.304 -1.819 1.00 0.00 C ATOM 1024 CD GLU A 65 19.120 -2.942 -0.611 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.198 -3.545 -0.410 1.00 0.00 O ATOM 1026 OE2 GLU A 65 18.701 -2.083 0.167 1.00 0.00 O ATOM 0 H GLU A 65 15.686 -2.871 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 65 17.242 -5.234 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.516 -3.881 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.678 -5.178 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.979 -3.703 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.859 -2.403 -2.229 1.00 0.00 H new ATOM 1033 N VAL A 66 14.210 -5.402 -2.477 1.00 0.00 N ATOM 1034 CA VAL A 66 13.069 -6.265 -2.285 1.00 0.00 C ATOM 1035 C VAL A 66 12.820 -7.030 -3.611 1.00 0.00 C ATOM 1036 O VAL A 66 13.374 -6.651 -4.666 1.00 0.00 O ATOM 1037 CB VAL A 66 11.811 -5.411 -1.910 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.639 -6.269 -1.480 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.154 -4.420 -0.822 1.00 0.00 C ATOM 0 H VAL A 66 13.963 -4.429 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 66 13.257 -6.969 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 66 11.509 -4.874 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.792 -5.630 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.361 -6.939 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.920 -6.857 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.270 -3.834 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.496 -4.956 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.944 -3.755 -1.172 1.00 0.00 H new ATOM 1049 N GLU A 67 12.043 -8.116 -3.539 1.00 0.00 N ATOM 1050 CA GLU A 67 11.671 -8.931 -4.697 1.00 0.00 C ATOM 1051 C GLU A 67 11.115 -8.080 -5.811 1.00 0.00 C ATOM 1052 O GLU A 67 10.408 -7.120 -5.553 1.00 0.00 O ATOM 1053 CB GLU A 67 10.633 -9.945 -4.280 1.00 0.00 C ATOM 1054 CG GLU A 67 11.178 -11.020 -3.404 1.00 0.00 C ATOM 1055 CD GLU A 67 10.118 -11.952 -2.892 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.870 -13.000 -3.523 1.00 0.00 O ATOM 1057 OE2 GLU A 67 9.520 -11.666 -1.840 1.00 0.00 O ATOM 0 H GLU A 67 11.650 -8.457 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 67 12.567 -9.433 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.825 -9.434 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.199 -10.398 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.920 -11.593 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.694 -10.565 -2.558 1.00 0.00 H new ATOM 1064 N LYS A 68 11.395 -8.464 -7.040 1.00 0.00 N ATOM 1065 CA LYS A 68 10.993 -7.689 -8.208 1.00 0.00 C ATOM 1066 C LYS A 68 9.492 -7.485 -8.302 1.00 0.00 C ATOM 1067 O LYS A 68 9.038 -6.432 -8.748 1.00 0.00 O ATOM 1068 CB LYS A 68 11.563 -8.255 -9.512 1.00 0.00 C ATOM 1069 CG LYS A 68 11.152 -9.661 -9.856 1.00 0.00 C ATOM 1070 CD LYS A 68 11.786 -10.107 -11.155 1.00 0.00 C ATOM 1071 CE LYS A 68 13.309 -10.230 -11.058 1.00 0.00 C ATOM 1072 NZ LYS A 68 13.738 -11.175 -10.004 1.00 0.00 N ATOM 0 H LYS A 68 11.906 -9.318 -7.262 1.00 0.00 H new ATOM 0 HA LYS A 68 11.432 -6.702 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.264 -7.600 -10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.651 -8.219 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.446 -10.337 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.067 -9.717 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.366 -11.069 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.532 -9.396 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.705 -10.559 -12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.737 -9.248 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.749 -11.390 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.581 -10.747 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.186 -12.053 -10.079 1.00 0.00 H new ATOM 1086 N GLN A 69 8.723 -8.451 -7.839 1.00 0.00 N ATOM 1087 CA GLN A 69 7.271 -8.313 -7.878 1.00 0.00 C ATOM 1088 C GLN A 69 6.804 -7.445 -6.716 1.00 0.00 C ATOM 1089 O GLN A 69 5.758 -6.829 -6.761 1.00 0.00 O ATOM 1090 CB GLN A 69 6.574 -9.681 -7.811 1.00 0.00 C ATOM 1091 CG GLN A 69 6.770 -10.426 -6.498 1.00 0.00 C ATOM 1092 CD GLN A 69 6.039 -11.744 -6.444 1.00 0.00 C ATOM 1093 OE1 GLN A 69 5.857 -12.413 -7.455 1.00 0.00 O ATOM 1094 NE2 GLN A 69 5.584 -12.103 -5.276 1.00 0.00 N ATOM 0 H GLN A 69 9.065 -9.325 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 69 7.004 -7.842 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.506 -9.539 -7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.944 -10.303 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.835 -10.603 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.429 -9.796 -5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.758 -11.517 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.055 -12.969 -5.179 1.00 0.00 H new ATOM 1103 N CYS A 70 7.627 -7.362 -5.706 1.00 0.00 N ATOM 1104 CA CYS A 70 7.272 -6.693 -4.486 1.00 0.00 C ATOM 1105 C CYS A 70 7.811 -5.266 -4.449 1.00 0.00 C ATOM 1106 O CYS A 70 7.406 -4.475 -3.609 1.00 0.00 O ATOM 1107 CB CYS A 70 7.768 -7.503 -3.306 1.00 0.00 C ATOM 1108 SG CYS A 70 7.191 -9.240 -3.319 1.00 0.00 S ATOM 0 H CYS A 70 8.567 -7.759 -5.707 1.00 0.00 H new ATOM 0 HA CYS A 70 6.186 -6.616 -4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.858 -7.491 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.438 -7.026 -2.383 1.00 0.00 H new ATOM 1113 N GLN A 71 8.719 -4.950 -5.369 1.00 0.00 N ATOM 1114 CA GLN A 71 9.261 -3.597 -5.519 1.00 0.00 C ATOM 1115 C GLN A 71 8.149 -2.611 -5.762 1.00 0.00 C ATOM 1116 O GLN A 71 8.083 -1.568 -5.136 1.00 0.00 O ATOM 1117 CB GLN A 71 10.214 -3.542 -6.688 1.00 0.00 C ATOM 1118 CG GLN A 71 11.545 -4.186 -6.436 1.00 0.00 C ATOM 1119 CD GLN A 71 12.419 -4.144 -7.654 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.426 -5.060 -8.448 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.118 -3.073 -7.841 1.00 0.00 N ATOM 0 H GLN A 71 9.102 -5.623 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 71 9.787 -3.341 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.746 -4.027 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.375 -2.499 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.045 -3.678 -5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.396 -5.221 -6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.091 -2.320 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.697 -2.981 -8.676 1.00 0.00 H new ATOM 1130 N CYS A 72 7.255 -2.953 -6.658 1.00 0.00 N ATOM 1131 CA CYS A 72 6.158 -2.083 -6.940 1.00 0.00 C ATOM 1132 C CYS A 72 5.079 -2.190 -5.906 1.00 0.00 C ATOM 1133 O CYS A 72 4.295 -1.260 -5.705 1.00 0.00 O ATOM 1134 CB CYS A 72 5.642 -2.217 -8.346 1.00 0.00 C ATOM 1135 SG CYS A 72 5.194 -3.873 -8.906 1.00 0.00 S ATOM 0 H CYS A 72 7.271 -3.820 -7.195 1.00 0.00 H new ATOM 0 HA CYS A 72 6.548 -1.067 -6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.765 -1.578 -8.446 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.401 -1.825 -9.023 1.00 0.00 H new ATOM 1140 N GLU A 73 5.036 -3.312 -5.229 1.00 0.00 N ATOM 1141 CA GLU A 73 4.098 -3.480 -4.153 1.00 0.00 C ATOM 1142 C GLU A 73 4.473 -2.517 -3.007 1.00 0.00 C ATOM 1143 O GLU A 73 3.600 -1.937 -2.353 1.00 0.00 O ATOM 1144 CB GLU A 73 4.075 -4.919 -3.640 1.00 0.00 C ATOM 1145 CG GLU A 73 3.600 -5.964 -4.634 1.00 0.00 C ATOM 1146 CD GLU A 73 2.132 -5.889 -4.941 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.330 -6.629 -4.297 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.758 -5.143 -5.844 1.00 0.00 O ATOM 0 H GLU A 73 5.637 -4.117 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 73 3.100 -3.252 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.080 -5.185 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.432 -4.962 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.161 -5.851 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.829 -6.955 -4.242 1.00 0.00 H new ATOM 1155 N ALA A 74 5.794 -2.312 -2.814 1.00 0.00 N ATOM 1156 CA ALA A 74 6.328 -1.414 -1.805 1.00 0.00 C ATOM 1157 C ALA A 74 5.853 0.010 -2.053 1.00 0.00 C ATOM 1158 O ALA A 74 5.695 0.793 -1.132 1.00 0.00 O ATOM 1159 CB ALA A 74 7.854 -1.484 -1.795 1.00 0.00 C ATOM 0 H ALA A 74 6.514 -2.777 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 74 5.961 -1.726 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.244 -0.807 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.170 -2.503 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.238 -1.192 -2.773 1.00 0.00 H new ATOM 1165 N ILE A 75 5.535 0.293 -3.298 1.00 0.00 N ATOM 1166 CA ILE A 75 5.086 1.607 -3.707 1.00 0.00 C ATOM 1167 C ILE A 75 3.669 1.839 -3.232 1.00 0.00 C ATOM 1168 O ILE A 75 3.269 2.968 -2.942 1.00 0.00 O ATOM 1169 CB ILE A 75 5.104 1.748 -5.240 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.482 1.380 -5.800 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.680 3.144 -5.672 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.645 2.076 -5.145 1.00 0.00 C ATOM 0 H ILE A 75 5.581 -0.385 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 75 5.764 2.338 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 75 4.377 1.049 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.621 0.303 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.496 1.607 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.703 3.211 -6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.669 3.343 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.364 3.879 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.574 1.749 -5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.539 3.154 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.665 1.830 -4.083 1.00 0.00 H new ATOM 1184 N LYS A 76 2.930 0.761 -3.073 1.00 0.00 N ATOM 1185 CA LYS A 76 1.535 0.876 -2.719 1.00 0.00 C ATOM 1186 C LYS A 76 1.505 1.222 -1.274 1.00 0.00 C ATOM 1187 O LYS A 76 0.799 2.125 -0.825 1.00 0.00 O ATOM 1188 CB LYS A 76 0.813 -0.459 -2.962 1.00 0.00 C ATOM 1189 CG LYS A 76 1.024 -1.048 -4.367 1.00 0.00 C ATOM 1190 CD LYS A 76 0.624 -0.081 -5.473 1.00 0.00 C ATOM 1191 CE LYS A 76 -0.828 0.350 -5.364 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.171 1.364 -6.373 1.00 0.00 N ATOM 0 H LYS A 76 3.269 -0.195 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 76 1.031 1.633 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.155 -1.183 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.255 -0.316 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.072 -1.320 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.443 -1.965 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.266 0.799 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.789 -0.552 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.476 -0.518 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.015 0.750 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.165 1.647 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.558 2.196 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.032 0.968 -7.324 1.00 0.00 H new ATOM 1206 N GLN A 77 2.421 0.579 -0.609 1.00 0.00 N ATOM 1207 CA GLN A 77 2.639 0.676 0.802 1.00 0.00 C ATOM 1208 C GLN A 77 2.952 2.096 1.169 1.00 0.00 C ATOM 1209 O GLN A 77 2.415 2.601 2.129 1.00 0.00 O ATOM 1210 CB GLN A 77 3.814 -0.197 1.168 1.00 0.00 C ATOM 1211 CG GLN A 77 3.663 -1.620 0.679 1.00 0.00 C ATOM 1212 CD GLN A 77 2.648 -2.415 1.445 1.00 0.00 C ATOM 1213 OE1 GLN A 77 2.417 -2.182 2.637 1.00 0.00 O ATOM 1214 NE2 GLN A 77 2.036 -3.361 0.792 1.00 0.00 N ATOM 0 H GLN A 77 3.071 -0.062 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 77 1.745 0.354 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.724 0.232 0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.934 -0.201 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.381 -1.605 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.629 -2.122 0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.253 -3.524 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.340 -3.939 1.264 1.00 0.00 H new ATOM 1223 N VAL A 78 3.819 2.747 0.372 1.00 0.00 N ATOM 1224 CA VAL A 78 4.206 4.133 0.632 1.00 0.00 C ATOM 1225 C VAL A 78 2.984 5.014 0.652 1.00 0.00 C ATOM 1226 O VAL A 78 2.811 5.811 1.561 1.00 0.00 O ATOM 1227 CB VAL A 78 5.151 4.746 -0.432 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.648 6.096 0.031 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.300 3.844 -0.786 1.00 0.00 C ATOM 0 H VAL A 78 4.259 2.333 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 78 4.729 4.096 1.588 1.00 0.00 H new ATOM 0 HB VAL A 78 4.568 4.869 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.311 6.518 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.800 6.764 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.192 5.981 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.926 4.329 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.893 3.643 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.916 2.906 -1.186 1.00 0.00 H new ATOM 1239 N VAL A 79 2.114 4.828 -0.331 1.00 0.00 N ATOM 1240 CA VAL A 79 0.967 5.693 -0.474 1.00 0.00 C ATOM 1241 C VAL A 79 0.044 5.454 0.672 1.00 0.00 C ATOM 1242 O VAL A 79 -0.382 6.394 1.339 1.00 0.00 O ATOM 1243 CB VAL A 79 0.199 5.445 -1.786 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.903 6.489 -1.967 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.149 5.436 -2.969 1.00 0.00 C ATOM 0 H VAL A 79 2.185 4.091 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 79 1.328 6.721 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.274 4.464 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.435 6.298 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.601 6.430 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.460 7.484 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.587 5.259 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.657 6.398 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.886 4.644 -2.837 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.192 4.177 0.928 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.063 3.730 1.967 1.00 0.00 C ATOM 1257 C GLU A 80 -0.636 4.318 3.290 1.00 0.00 C ATOM 1258 O GLU A 80 -1.374 5.087 3.880 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.054 2.208 2.009 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.176 1.607 2.834 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.835 1.309 4.276 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -1.047 0.371 4.528 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.410 1.954 5.195 1.00 0.00 O ATOM 0 H GLU A 80 0.234 3.416 0.398 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.081 4.066 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.121 1.826 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.099 1.872 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.025 2.290 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.499 0.682 2.357 1.00 0.00 H new ATOM 1270 N GLN A 81 0.609 4.065 3.677 1.00 0.00 N ATOM 1271 CA GLN A 81 1.107 4.481 4.978 1.00 0.00 C ATOM 1272 C GLN A 81 1.244 5.997 5.101 1.00 0.00 C ATOM 1273 O GLN A 81 1.080 6.548 6.186 1.00 0.00 O ATOM 1274 CB GLN A 81 2.411 3.754 5.352 1.00 0.00 C ATOM 1275 CG GLN A 81 3.594 4.052 4.449 1.00 0.00 C ATOM 1276 CD GLN A 81 4.762 3.127 4.696 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.762 2.017 4.021 1.00 0.00 O flip ATOM 1278 NE2 GLN A 81 5.638 3.398 5.494 1.00 0.00 N flip ATOM 0 H GLN A 81 1.293 3.571 3.104 1.00 0.00 H new ATOM 0 HA GLN A 81 0.351 4.183 5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.678 4.021 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.226 2.680 5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.282 3.967 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.913 5.083 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.606 4.279 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.405 2.744 5.651 1.00 0.00 H new ATOM 1287 N ALA A 82 1.508 6.669 4.008 1.00 0.00 N ATOM 1288 CA ALA A 82 1.658 8.110 4.036 1.00 0.00 C ATOM 1289 C ALA A 82 0.311 8.797 4.172 1.00 0.00 C ATOM 1290 O ALA A 82 0.167 9.762 4.919 1.00 0.00 O ATOM 1291 CB ALA A 82 2.393 8.601 2.800 1.00 0.00 C ATOM 0 H ALA A 82 1.624 6.246 3.087 1.00 0.00 H new ATOM 0 HA ALA A 82 2.255 8.368 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.494 9.685 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.383 8.146 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.831 8.324 1.908 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.686 8.285 3.495 1.00 0.00 N ATOM 1298 CA GLN A 83 -1.979 8.901 3.551 1.00 0.00 C ATOM 1299 C GLN A 83 -2.682 8.551 4.847 1.00 0.00 C ATOM 1300 O GLN A 83 -3.300 9.399 5.448 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.846 8.580 2.317 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.239 7.123 2.149 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.060 6.895 0.893 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.916 7.609 -0.115 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.924 5.925 0.931 1.00 0.00 N ATOM 0 H GLN A 83 -0.625 7.454 2.907 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.825 9.980 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.755 9.179 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.306 8.897 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.340 6.507 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.810 6.799 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.017 5.358 1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.509 5.731 0.118 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.502 7.319 5.318 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.165 6.854 6.530 1.00 0.00 C ATOM 1316 C LYS A 84 -2.592 7.518 7.759 1.00 0.00 C ATOM 1317 O LYS A 84 -3.309 7.758 8.715 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.110 5.319 6.634 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.712 4.753 6.746 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.300 4.467 8.154 1.00 0.00 C ATOM 1321 CE LYS A 84 -1.898 3.160 8.624 1.00 0.00 C ATOM 1322 NZ LYS A 84 -1.475 2.031 7.763 1.00 0.00 N ATOM 0 H LYS A 84 -1.900 6.624 4.876 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.215 7.141 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.688 5.004 7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.594 4.889 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.652 3.834 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.006 5.457 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.213 4.421 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.624 5.278 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.594 2.968 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.985 3.234 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.524 1.144 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.105 1.968 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.498 2.187 7.441 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.305 7.867 7.712 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.665 8.478 8.857 1.00 0.00 C ATOM 1338 C GLN A 85 -1.226 9.886 9.073 1.00 0.00 C ATOM 1339 O GLN A 85 -1.234 10.407 10.192 1.00 0.00 O ATOM 1340 CB GLN A 85 0.876 8.480 8.727 1.00 0.00 C ATOM 1341 CG GLN A 85 1.463 9.492 7.760 1.00 0.00 C ATOM 1342 CD GLN A 85 2.989 9.523 7.749 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.605 9.827 6.739 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.610 9.223 8.861 1.00 0.00 N ATOM 0 H GLN A 85 -0.700 7.736 6.901 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.891 7.879 9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.303 8.660 9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.196 7.485 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.107 9.268 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.091 10.484 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.075 8.972 9.692 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.629 9.240 8.897 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.657 10.499 7.987 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.323 11.789 8.036 1.00 0.00 C ATOM 1355 C LEU A 86 -3.848 11.644 8.241 1.00 0.00 C ATOM 1356 O LEU A 86 -4.451 12.327 9.077 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.969 12.639 6.792 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.736 13.561 6.909 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.951 14.614 7.972 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.519 12.792 7.216 1.00 0.00 C ATOM 0 H LEU A 86 -1.556 10.118 7.046 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.952 12.325 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.809 11.963 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.833 13.256 6.545 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.612 14.042 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.069 15.252 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.819 15.220 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.120 14.131 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.360 13.482 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.400 12.264 8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.709 12.072 6.420 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.439 10.713 7.511 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.890 10.461 7.497 1.00 0.00 C ATOM 1374 C GLN A 87 -6.429 9.931 8.831 1.00 0.00 C ATOM 1375 O GLN A 87 -7.623 10.063 9.129 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.212 9.482 6.369 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.666 9.099 6.243 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.916 8.209 5.052 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.046 7.432 4.638 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -9.072 8.332 4.463 1.00 0.00 N ATOM 0 H GLN A 87 -3.919 10.090 6.893 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.386 11.417 7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.886 9.920 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.626 8.575 6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.986 8.588 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.272 10.001 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.766 8.982 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.283 7.778 3.633 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.571 9.347 9.629 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.978 8.785 10.923 1.00 0.00 C ATOM 1391 C GLN A 88 -6.428 9.852 11.916 1.00 0.00 C ATOM 1392 O GLN A 88 -6.996 9.535 12.958 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.878 7.936 11.529 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.613 8.692 11.885 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.548 7.770 12.417 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -1.746 7.235 11.660 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -2.534 7.563 13.703 1.00 0.00 N ATOM 0 H GLN A 88 -4.579 9.241 9.418 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.839 8.150 10.717 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.263 7.456 12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.624 7.141 10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.238 9.211 11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.841 9.454 12.630 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.218 8.026 14.302 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.839 6.938 14.111 1.00 0.00 H new ATOM 1406 N GLY A 89 -6.165 11.092 11.610 1.00 0.00 N ATOM 1407 CA GLY A 89 -6.612 12.140 12.466 1.00 0.00 C ATOM 1408 C GLY A 89 -5.588 13.194 12.640 1.00 0.00 C ATOM 1409 O GLY A 89 -5.035 13.360 13.727 1.00 0.00 O ATOM 0 H GLY A 89 -5.649 11.393 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.519 12.582 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.873 11.725 13.440 1.00 0.00 H new ATOM 1413 N GLN A 90 -5.320 13.887 11.578 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.343 14.953 11.560 1.00 0.00 C ATOM 1415 C GLN A 90 -4.818 16.020 10.605 1.00 0.00 C ATOM 1416 O GLN A 90 -5.063 17.164 10.987 1.00 0.00 O ATOM 1417 CB GLN A 90 -2.969 14.430 11.074 1.00 0.00 C ATOM 1418 CG GLN A 90 -2.247 13.451 12.002 1.00 0.00 C ATOM 1419 CD GLN A 90 -1.761 14.089 13.294 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -2.351 15.037 13.810 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -0.675 13.595 13.813 1.00 0.00 N ATOM 0 H GLN A 90 -5.777 13.733 10.679 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.232 15.350 12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.110 13.944 10.108 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.317 15.287 10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.919 12.627 12.243 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.395 13.023 11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.207 12.808 13.363 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.292 13.994 14.670 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.012 15.599 9.389 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.345 16.462 8.303 1.00 0.00 C ATOM 1432 C GLY A 91 -4.400 16.131 7.208 1.00 0.00 C ATOM 1433 O GLY A 91 -4.191 14.950 6.938 1.00 0.00 O ATOM 0 H GLY A 91 -4.940 14.617 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.377 16.309 7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.252 17.508 8.594 1.00 0.00 H new ATOM 1437 N GLY A 92 -3.832 17.124 6.566 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.784 16.892 5.616 1.00 0.00 C ATOM 1439 C GLY A 92 -3.233 16.392 4.272 1.00 0.00 C ATOM 1440 O GLY A 92 -2.657 16.765 3.293 1.00 0.00 O ATOM 0 H GLY A 92 -4.084 18.105 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.233 17.822 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.086 16.170 6.039 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.261 15.588 4.235 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.778 14.948 3.017 1.00 0.00 C ATOM 1446 C GLN A 93 -4.961 15.909 1.832 1.00 0.00 C ATOM 1447 O GLN A 93 -4.843 15.497 0.677 1.00 0.00 O ATOM 1448 CB GLN A 93 -6.075 14.234 3.325 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.920 13.096 4.310 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.237 12.478 4.671 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.878 12.877 5.640 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.661 11.524 3.899 1.00 0.00 N ATOM 0 H GLN A 93 -4.792 15.341 5.070 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.019 14.233 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.791 14.953 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.496 13.846 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.268 12.334 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.433 13.463 5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.097 11.223 3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.558 11.076 4.087 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.234 17.165 2.109 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.366 18.150 1.043 1.00 0.00 C ATOM 1463 C GLN A 94 -3.981 18.646 0.571 1.00 0.00 C ATOM 1464 O GLN A 94 -3.706 18.727 -0.621 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.216 19.350 1.488 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.635 20.098 2.681 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.337 21.413 2.993 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -6.796 22.103 1.977 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -6.416 21.831 4.151 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.369 17.532 3.051 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.869 17.655 0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.320 20.041 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.218 19.002 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.686 19.454 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.580 20.298 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.050 21.271 4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.848 22.736 4.338 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.109 18.917 1.520 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.823 19.521 1.244 1.00 0.00 C ATOM 1480 C GLN A 95 -0.795 18.486 0.841 1.00 0.00 C ATOM 1481 O GLN A 95 -0.085 18.649 -0.127 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.357 20.369 2.437 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.317 19.652 3.762 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.845 20.543 4.884 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -0.031 21.449 4.680 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -1.373 20.337 6.051 1.00 0.00 N ATOM 0 H GLN A 95 -3.273 18.724 2.508 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.938 20.189 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.360 20.753 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.018 21.231 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.311 19.273 3.997 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.656 18.788 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.042 19.578 6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.119 20.934 6.838 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.786 17.406 1.567 1.00 0.00 N ATOM 1496 CA VAL A 96 0.092 16.271 1.354 1.00 0.00 C ATOM 1497 C VAL A 96 -0.209 15.611 0.018 1.00 0.00 C ATOM 1498 O VAL A 96 0.664 14.997 -0.574 1.00 0.00 O ATOM 1499 CB VAL A 96 -0.080 15.239 2.519 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.640 13.930 2.277 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.363 15.838 3.839 1.00 0.00 C ATOM 0 H VAL A 96 -1.414 17.278 2.360 1.00 0.00 H new ATOM 0 HA VAL A 96 1.124 16.622 1.340 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.145 15.009 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.477 13.263 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.254 13.465 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.708 14.118 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.234 15.103 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.413 16.123 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.240 16.719 4.059 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.435 15.807 -0.479 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.888 15.189 -1.738 1.00 0.00 C ATOM 1513 C GLN A 97 -0.907 15.426 -2.893 1.00 0.00 C ATOM 1514 O GLN A 97 -0.501 14.488 -3.583 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.256 15.711 -2.120 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.794 15.116 -3.402 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.182 15.615 -3.709 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -6.180 15.025 -3.274 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.275 16.704 -4.435 1.00 0.00 N ATOM 0 H GLN A 97 -2.138 16.392 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.938 14.115 -1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.955 15.501 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.206 16.795 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.127 15.366 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.808 14.029 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.430 17.163 -4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.192 17.091 -4.658 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.488 16.663 -3.037 1.00 0.00 N ATOM 1529 CA GLN A 98 0.405 17.083 -4.105 1.00 0.00 C ATOM 1530 C GLN A 98 1.808 16.489 -3.958 1.00 0.00 C ATOM 1531 O GLN A 98 2.601 16.499 -4.893 1.00 0.00 O ATOM 1532 CB GLN A 98 0.448 18.603 -4.201 1.00 0.00 C ATOM 1533 CG GLN A 98 0.887 19.293 -2.934 1.00 0.00 C ATOM 1534 CD GLN A 98 0.762 20.785 -3.024 1.00 0.00 C ATOM 1535 OE1 GLN A 98 -0.276 21.361 -2.686 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.782 21.419 -3.483 1.00 0.00 N ATOM 0 H GLN A 98 -0.759 17.420 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 98 0.002 16.692 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.125 18.885 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.543 18.966 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.287 18.930 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.923 19.030 -2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.622 20.907 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.751 22.434 -3.578 1.00 0.00 H new ATOM 1545 N MET A 99 2.122 16.002 -2.785 1.00 0.00 N ATOM 1546 CA MET A 99 3.426 15.443 -2.546 1.00 0.00 C ATOM 1547 C MET A 99 3.341 13.947 -2.626 1.00 0.00 C ATOM 1548 O MET A 99 4.113 13.321 -3.331 1.00 0.00 O ATOM 1549 CB MET A 99 3.923 15.872 -1.189 1.00 0.00 C ATOM 1550 CG MET A 99 5.427 15.902 -1.039 1.00 0.00 C ATOM 1551 SD MET A 99 6.229 17.107 -2.107 1.00 0.00 S ATOM 1552 CE MET A 99 7.934 16.887 -1.597 1.00 0.00 C ATOM 0 H MET A 99 1.493 15.981 -1.982 1.00 0.00 H new ATOM 0 HA MET A 99 4.127 15.802 -3.300 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.532 16.866 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.512 15.197 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.677 16.124 -0.002 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.826 14.912 -1.258 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.574 17.563 -2.164 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.027 17.106 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.239 15.857 -1.783 1.00 0.00 H new ATOM 1562 N VAL A 100 2.379 13.386 -1.936 1.00 0.00 N ATOM 1563 CA VAL A 100 2.176 11.942 -1.929 1.00 0.00 C ATOM 1564 C VAL A 100 1.896 11.399 -3.346 1.00 0.00 C ATOM 1565 O VAL A 100 2.230 10.263 -3.650 1.00 0.00 O ATOM 1566 CB VAL A 100 1.077 11.481 -0.914 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.297 11.996 -1.287 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.066 9.974 -0.771 1.00 0.00 C ATOM 0 H VAL A 100 1.714 13.906 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 100 3.114 11.509 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 100 1.334 11.916 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.026 11.651 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.285 13.086 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.570 11.623 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.293 9.682 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.859 9.518 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.037 9.636 -0.410 1.00 0.00 H new ATOM 1578 N LYS A 101 1.317 12.226 -4.224 1.00 0.00 N ATOM 1579 CA LYS A 101 1.107 11.823 -5.614 1.00 0.00 C ATOM 1580 C LYS A 101 2.429 11.453 -6.329 1.00 0.00 C ATOM 1581 O LYS A 101 2.432 10.669 -7.269 1.00 0.00 O ATOM 1582 CB LYS A 101 0.294 12.882 -6.384 1.00 0.00 C ATOM 1583 CG LYS A 101 0.928 14.261 -6.553 1.00 0.00 C ATOM 1584 CD LYS A 101 1.942 14.321 -7.692 1.00 0.00 C ATOM 1585 CE LYS A 101 2.484 15.724 -7.861 1.00 0.00 C ATOM 1586 NZ LYS A 101 3.424 15.829 -8.986 1.00 0.00 N ATOM 0 H LYS A 101 0.990 13.166 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 101 0.513 10.909 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.077 12.486 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.662 13.010 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.143 14.995 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.420 14.544 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.762 13.632 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.472 13.994 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.655 16.414 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.985 16.030 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.768 16.808 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.229 15.191 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.941 15.563 -9.868 1.00 0.00 H new ATOM 1600 N LYS A 102 3.549 12.005 -5.849 1.00 0.00 N ATOM 1601 CA LYS A 102 4.874 11.703 -6.393 1.00 0.00 C ATOM 1602 C LYS A 102 5.230 10.245 -6.151 1.00 0.00 C ATOM 1603 O LYS A 102 5.951 9.641 -6.936 1.00 0.00 O ATOM 1604 CB LYS A 102 5.918 12.587 -5.740 1.00 0.00 C ATOM 1605 CG LYS A 102 5.794 14.065 -6.072 1.00 0.00 C ATOM 1606 CD LYS A 102 6.542 14.913 -5.055 1.00 0.00 C ATOM 1607 CE LYS A 102 8.012 14.544 -4.933 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.795 14.927 -6.119 1.00 0.00 N ATOM 0 H LYS A 102 3.561 12.670 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 102 4.854 11.892 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.854 12.464 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.907 12.242 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.190 14.252 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.742 14.352 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.460 15.963 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.065 14.806 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.432 15.030 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.101 13.469 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.789 14.652 -5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.414 14.443 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.736 15.956 -6.256 1.00 0.00 H new ATOM 1622 N ALA A 103 4.690 9.678 -5.075 1.00 0.00 N ATOM 1623 CA ALA A 103 4.932 8.259 -4.733 1.00 0.00 C ATOM 1624 C ALA A 103 4.434 7.339 -5.839 1.00 0.00 C ATOM 1625 O ALA A 103 4.979 6.280 -6.076 1.00 0.00 O ATOM 1626 CB ALA A 103 4.257 7.879 -3.424 1.00 0.00 C ATOM 0 H ALA A 103 4.082 10.169 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 103 6.009 8.138 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.455 6.830 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.650 8.500 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.182 8.034 -3.511 1.00 0.00 H new ATOM 1632 N GLN A 104 3.431 7.787 -6.547 1.00 0.00 N ATOM 1633 CA GLN A 104 2.819 7.003 -7.605 1.00 0.00 C ATOM 1634 C GLN A 104 3.734 6.933 -8.838 1.00 0.00 C ATOM 1635 O GLN A 104 3.545 6.115 -9.732 1.00 0.00 O ATOM 1636 CB GLN A 104 1.460 7.581 -7.973 1.00 0.00 C ATOM 1637 CG GLN A 104 0.574 7.841 -6.767 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.835 8.229 -7.137 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.720 7.376 -7.233 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.047 9.492 -7.385 1.00 0.00 N ATOM 0 H GLN A 104 3.010 8.706 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 104 2.675 5.987 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.605 8.514 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.951 6.894 -8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.546 6.946 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.016 8.634 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.286 10.165 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.974 9.807 -7.671 1.00 0.00 H new ATOM 1649 N MET A 105 4.712 7.807 -8.883 1.00 0.00 N ATOM 1650 CA MET A 105 5.634 7.885 -10.009 1.00 0.00 C ATOM 1651 C MET A 105 6.840 7.028 -9.772 1.00 0.00 C ATOM 1652 O MET A 105 7.602 6.759 -10.694 1.00 0.00 O ATOM 1653 CB MET A 105 6.089 9.296 -10.234 1.00 0.00 C ATOM 1654 CG MET A 105 4.950 10.261 -10.361 1.00 0.00 C ATOM 1655 SD MET A 105 5.490 11.931 -10.737 1.00 0.00 S ATOM 1656 CE MET A 105 3.902 12.729 -10.925 1.00 0.00 C ATOM 0 H MET A 105 4.897 8.486 -8.145 1.00 0.00 H new ATOM 0 HA MET A 105 5.098 7.529 -10.889 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.728 9.603 -9.406 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.696 9.337 -11.138 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.275 9.918 -11.145 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.381 10.269 -9.431 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.050 13.782 -11.163 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.347 12.249 -11.731 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.339 12.643 -9.996 1.00 0.00 H new ATOM 1666 N LEU A 106 7.011 6.602 -8.534 1.00 0.00 N ATOM 1667 CA LEU A 106 8.159 5.794 -8.124 1.00 0.00 C ATOM 1668 C LEU A 106 8.379 4.575 -9.042 1.00 0.00 C ATOM 1669 O LEU A 106 9.490 4.365 -9.493 1.00 0.00 O ATOM 1670 CB LEU A 106 8.048 5.352 -6.662 1.00 0.00 C ATOM 1671 CG LEU A 106 8.045 6.455 -5.600 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.862 5.856 -4.216 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.318 7.282 -5.654 1.00 0.00 C ATOM 0 H LEU A 106 6.358 6.804 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 106 9.033 6.438 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.131 4.773 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.878 4.678 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 106 7.207 7.119 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.862 6.653 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.914 5.320 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.679 5.165 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.282 8.055 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.179 6.637 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.408 7.748 -6.635 1.00 0.00 H new ATOM 1685 N PRO A 107 7.327 3.764 -9.368 1.00 0.00 N ATOM 1686 CA PRO A 107 7.472 2.635 -10.281 1.00 0.00 C ATOM 1687 C PRO A 107 7.962 3.043 -11.662 1.00 0.00 C ATOM 1688 O PRO A 107 8.638 2.274 -12.325 1.00 0.00 O ATOM 1689 CB PRO A 107 6.071 2.014 -10.351 1.00 0.00 C ATOM 1690 CG PRO A 107 5.161 3.064 -9.835 1.00 0.00 C ATOM 1691 CD PRO A 107 5.961 3.834 -8.837 1.00 0.00 C ATOM 0 HA PRO A 107 8.228 1.937 -9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.813 1.735 -11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.010 1.108 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.812 3.710 -10.640 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.277 2.624 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.615 4.864 -8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.894 3.393 -7.842 1.00 0.00 H new ATOM 1699 N ASN A 108 7.688 4.262 -12.066 1.00 0.00 N ATOM 1700 CA ASN A 108 8.094 4.713 -13.339 1.00 0.00 C ATOM 1701 C ASN A 108 9.534 5.190 -13.262 1.00 0.00 C ATOM 1702 O ASN A 108 10.372 4.810 -14.072 1.00 0.00 O ATOM 1703 CB ASN A 108 7.188 5.851 -13.791 1.00 0.00 C ATOM 1704 CG ASN A 108 5.724 5.469 -13.937 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.378 4.316 -14.203 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.859 6.434 -13.802 1.00 0.00 N ATOM 0 H ASN A 108 7.180 4.951 -11.511 1.00 0.00 H new ATOM 0 HA ASN A 108 8.022 3.899 -14.060 1.00 0.00 H new ATOM 0 HB2 ASN A 108 7.268 6.669 -13.075 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.549 6.229 -14.748 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.863 6.246 -13.917 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.178 7.378 -13.582 1.00 0.00 H new ATOM 1713 N GLN A 109 9.831 5.942 -12.217 1.00 0.00 N ATOM 1714 CA GLN A 109 11.143 6.564 -12.037 1.00 0.00 C ATOM 1715 C GLN A 109 12.211 5.554 -11.608 1.00 0.00 C ATOM 1716 O GLN A 109 13.405 5.767 -11.824 1.00 0.00 O ATOM 1717 CB GLN A 109 11.061 7.706 -11.007 1.00 0.00 C ATOM 1718 CG GLN A 109 10.028 8.781 -11.338 1.00 0.00 C ATOM 1719 CD GLN A 109 10.201 9.361 -12.725 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.634 8.865 -13.686 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.973 10.405 -12.840 1.00 0.00 N ATOM 0 H GLN A 109 9.172 6.143 -11.465 1.00 0.00 H new ATOM 0 HA GLN A 109 11.439 6.967 -13.006 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.826 7.282 -10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.041 8.175 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.028 8.356 -11.250 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.099 9.583 -10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.431 10.794 -12.016 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.119 10.833 -13.754 1.00 0.00 H new ATOM 1730 N CYS A 110 11.778 4.485 -10.992 1.00 0.00 N ATOM 1731 CA CYS A 110 12.674 3.441 -10.494 1.00 0.00 C ATOM 1732 C CYS A 110 12.722 2.277 -11.488 1.00 0.00 C ATOM 1733 O CYS A 110 13.540 1.365 -11.359 1.00 0.00 O ATOM 1734 CB CYS A 110 12.150 2.971 -9.123 1.00 0.00 C ATOM 1735 SG CYS A 110 13.236 1.880 -8.135 1.00 0.00 S ATOM 0 H CYS A 110 10.791 4.301 -10.814 1.00 0.00 H new ATOM 0 HA CYS A 110 13.687 3.828 -10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.928 3.856 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.206 2.450 -9.284 1.00 0.00 H new ATOM 1740 N ASN A 111 11.853 2.356 -12.497 1.00 0.00 N ATOM 1741 CA ASN A 111 11.682 1.320 -13.525 1.00 0.00 C ATOM 1742 C ASN A 111 11.298 -0.004 -12.894 1.00 0.00 C ATOM 1743 O ASN A 111 12.078 -0.964 -12.820 1.00 0.00 O ATOM 1744 CB ASN A 111 12.881 1.193 -14.484 1.00 0.00 C ATOM 1745 CG ASN A 111 12.600 0.265 -15.669 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.034 0.688 -16.673 1.00 0.00 O ATOM 1747 ND2 ASN A 111 13.029 -0.965 -15.590 1.00 0.00 N ATOM 0 H ASN A 111 11.235 3.157 -12.628 1.00 0.00 H new ATOM 0 HA ASN A 111 10.857 1.643 -14.160 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.147 2.182 -14.858 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.743 0.819 -13.932 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.897 -1.602 -16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.496 -1.289 -14.743 1.00 0.00 H new ATOM 1754 N LEU A 112 10.147 0.023 -12.314 1.00 0.00 N ATOM 1755 CA LEU A 112 9.551 -1.124 -11.672 1.00 0.00 C ATOM 1756 C LEU A 112 8.527 -1.762 -12.592 1.00 0.00 C ATOM 1757 O LEU A 112 8.018 -1.107 -13.511 1.00 0.00 O ATOM 1758 CB LEU A 112 8.914 -0.712 -10.337 1.00 0.00 C ATOM 1759 CG LEU A 112 9.862 0.022 -9.383 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.194 0.378 -8.056 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.124 -0.785 -9.168 1.00 0.00 C ATOM 0 H LEU A 112 9.569 0.862 -12.266 1.00 0.00 H new ATOM 0 HA LEU A 112 10.327 -1.861 -11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.055 -0.072 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.535 -1.604 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 112 10.131 0.967 -9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.908 0.896 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.337 1.026 -8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.859 -0.534 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.787 -0.250 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.868 -1.753 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.628 -0.934 -10.123 1.00 0.00 H new ATOM 1773 N GLN A 113 8.224 -3.025 -12.339 1.00 0.00 N ATOM 1774 CA GLN A 113 7.284 -3.848 -13.141 1.00 0.00 C ATOM 1775 C GLN A 113 5.828 -3.447 -12.931 1.00 0.00 C ATOM 1776 O GLN A 113 4.925 -4.273 -13.027 1.00 0.00 O ATOM 1777 CB GLN A 113 7.441 -5.317 -12.758 1.00 0.00 C ATOM 1778 CG GLN A 113 8.818 -5.883 -13.004 1.00 0.00 C ATOM 1779 CD GLN A 113 9.195 -5.967 -14.478 1.00 0.00 C ATOM 1780 OE1 GLN A 113 8.234 -6.202 -15.339 1.00 0.00 O flip ATOM 1781 NE2 GLN A 113 10.365 -5.860 -14.833 1.00 0.00 N flip ATOM 0 H GLN A 113 8.627 -3.535 -11.553 1.00 0.00 H new ATOM 0 HA GLN A 113 7.531 -3.684 -14.190 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.198 -5.432 -11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.714 -5.905 -13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.552 -5.266 -12.486 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.874 -6.880 -12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.093 -5.677 -14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.609 -5.954 -15.819 1.00 0.00 H new ATOM 1790 N CYS A 114 5.607 -2.203 -12.751 1.00 0.00 N ATOM 1791 CA CYS A 114 4.330 -1.685 -12.413 1.00 0.00 C ATOM 1792 C CYS A 114 4.267 -0.231 -12.813 1.00 0.00 C ATOM 1793 O CYS A 114 5.305 0.407 -13.018 1.00 0.00 O ATOM 1794 CB CYS A 114 4.142 -1.810 -10.913 1.00 0.00 C ATOM 1795 SG CYS A 114 3.726 -3.479 -10.263 1.00 0.00 S ATOM 0 H CYS A 114 6.330 -1.489 -12.836 1.00 0.00 H new ATOM 0 HA CYS A 114 3.546 -2.236 -12.932 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.059 -1.476 -10.427 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.352 -1.122 -10.612 1.00 0.00 H new ATOM 1800 N SER A 115 3.084 0.279 -12.955 1.00 0.00 N ATOM 1801 CA SER A 115 2.852 1.654 -13.280 1.00 0.00 C ATOM 1802 C SER A 115 1.542 2.058 -12.619 1.00 0.00 C ATOM 1803 O SER A 115 0.631 1.231 -12.504 1.00 0.00 O ATOM 1804 CB SER A 115 2.778 1.812 -14.803 1.00 0.00 C ATOM 1805 OG SER A 115 3.968 1.302 -15.413 1.00 0.00 O ATOM 0 H SER A 115 2.228 -0.264 -12.845 1.00 0.00 H new ATOM 0 HA SER A 115 3.659 2.293 -12.921 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.907 1.282 -15.189 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.651 2.863 -15.061 1.00 0.00 H new ATOM 0 HG SER A 115 3.908 1.407 -16.385 1.00 0.00 H new ATOM 1811 N ILE A 116 1.456 3.276 -12.142 1.00 0.00 N ATOM 1812 CA ILE A 116 0.257 3.716 -11.470 1.00 0.00 C ATOM 1813 C ILE A 116 -0.537 4.585 -12.415 1.00 0.00 C ATOM 1814 O ILE A 116 -1.492 4.079 -13.037 1.00 0.00 O ATOM 1815 CB ILE A 116 0.559 4.501 -10.170 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.516 3.710 -9.253 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.742 4.828 -9.434 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.016 2.349 -8.821 1.00 0.00 C ATOM 1819 OXT ILE A 116 -0.161 5.759 -12.619 1.00 0.00 O ATOM 0 H ILE A 116 2.195 3.976 -12.205 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.312 2.831 -11.183 1.00 0.00 H new ATOM 0 HB ILE A 116 1.052 5.434 -10.443 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.467 3.583 -9.770 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.715 4.306 -8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.515 5.380 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.381 5.435 -10.076 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.258 3.903 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.760 1.875 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.082 2.462 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.846 1.728 -9.700 1.00 0.00 H new TER 1831 ILE A 116