USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1074 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 2 HIS : no HD1:sc= -0.14 X(o=0.8,f=1.1) USER MOD Set 1.2: A 70 HIS : no HD1:sc= 0.938 K(o=0.8,f=-6.4!) USER MOD Set 2.1: A 45 TYR OH : rot -11:sc= 1.24 USER MOD Set 2.2: A 57 THR OG1 : rot 76:sc= 1.88 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.577 USER MOD Set 3.2: A 12 HIS : no HD1:sc= 0.695 K(o=1.3,f=-4.8!) USER MOD Set 4.1: A 1 HIS : no HD1:sc= -0.0646 X(o=1,f=1.1) USER MOD Set 4.2: A 4 THR OG1 : rot 170:sc= 0 USER MOD Set 4.3: A 7 SER OG : rot 84:sc= 1.08 USER MOD Single : A 8 SER OG : rot -159:sc= -1.02 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -138:sc= 0.0516 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0535) USER MOD Single : A 17 SER OG : rot -160:sc= -1.7! USER MOD Single : A 18 GLN : amide:sc= -0.0896 K(o=-0.09,f=-0.89) USER MOD Single : A 20 GLN : amide:sc= 0.399 K(o=0.4,f=-6.5!) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= 1.23 (180deg=0.99) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -150:sc= -1.93! (180deg=-2.43!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= -0.0105 (180deg=-0.126) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc=-0.00793 (180deg=-0.119) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0737) USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= 0.185 (180deg=-0.463!) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.0667 (180deg=-0.183) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 55:sc= 0.771 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.115 (180deg=-0.406) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0.564 K(o=0.56,f=-2.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0.718 (180deg=0.676) USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0.253) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= -0.0187 (180deg=-0.2) USER MOD Single : A 86 SER OG : rot -87:sc= 1.06 USER MOD Single : A 89 SER OG : rot 180:sc= -0.326 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0.358 (180deg=0.332) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.1) USER MOD Single : A 96 LYS NZ :NH3+ 142:sc= 1.12 (180deg=0.677) USER MOD Single : A 102 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.33) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= 1.49 (180deg=1.27) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.626 X(o=-0.63,f=-1.1) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -119:sc= 0.0293 (180deg=-0.188) USER MOD Single : A 122 LYS NZ :NH3+ -119:sc= -0.336 (180deg=-1.72!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.24) USER MOD Single : A 128 THR OG1 : rot 179:sc= 1.2 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -0.204 15.984 -24.073 1.00 12.20 N ATOM 2 CA GLY A -4 -0.605 14.672 -23.516 1.00 11.71 C ATOM 3 C GLY A -4 -1.876 14.767 -22.701 1.00 10.84 C ATOM 4 O GLY A -4 -2.696 15.662 -22.922 1.00 10.86 O ATOM 0 H1 GLY A -4 0.116 15.861 -25.055 1.00 12.20 H new ATOM 0 H2 GLY A -4 -1.016 16.633 -24.052 1.00 12.20 H new ATOM 0 H3 GLY A -4 0.571 16.381 -23.504 1.00 12.20 H new ATOM 0 HA2 GLY A -4 -0.748 13.961 -24.330 1.00 11.71 H new ATOM 0 HA3 GLY A -4 0.198 14.283 -22.891 1.00 11.71 H new ATOM 9 N SER A -3 -2.037 13.851 -21.760 1.00 10.23 N ATOM 10 CA SER A -3 -3.213 13.821 -20.908 1.00 9.45 C ATOM 11 C SER A -3 -2.840 14.173 -19.467 1.00 8.46 C ATOM 12 O SER A -3 -2.352 13.324 -18.719 1.00 8.10 O ATOM 13 CB SER A -3 -3.851 12.433 -20.967 1.00 9.56 C ATOM 14 OG SER A -3 -4.147 12.065 -22.308 1.00 9.90 O ATOM 0 H SER A -3 -1.361 13.112 -21.566 1.00 10.23 H new ATOM 0 HA SER A -3 -3.929 14.561 -21.265 1.00 9.45 H new ATOM 0 HB2 SER A -3 -3.176 11.700 -20.525 1.00 9.56 H new ATOM 0 HB3 SER A -3 -4.765 12.423 -20.373 1.00 9.56 H new ATOM 0 HG SER A -3 -4.553 11.173 -22.320 1.00 9.90 H new ATOM 20 N PRO A -2 -3.052 15.438 -19.061 1.00 8.27 N ATOM 21 CA PRO A -2 -2.695 15.907 -17.718 1.00 7.59 C ATOM 22 C PRO A -2 -3.633 15.375 -16.638 1.00 6.73 C ATOM 23 O PRO A -2 -3.265 15.292 -15.467 1.00 6.54 O ATOM 24 CB PRO A -2 -2.813 17.424 -17.833 1.00 8.12 C ATOM 25 CG PRO A -2 -3.819 17.644 -18.905 1.00 8.87 C ATOM 26 CD PRO A -2 -3.651 16.510 -19.878 1.00 9.01 C ATOM 0 HA PRO A -2 -1.705 15.562 -17.418 1.00 7.59 H new ATOM 0 HB2 PRO A -2 -3.134 17.869 -16.891 1.00 8.12 H new ATOM 0 HB3 PRO A -2 -1.855 17.877 -18.089 1.00 8.12 H new ATOM 0 HG2 PRO A -2 -4.829 17.658 -18.494 1.00 8.87 H new ATOM 0 HG3 PRO A -2 -3.661 18.604 -19.396 1.00 8.87 H new ATOM 0 HD2 PRO A -2 -4.606 16.203 -20.305 1.00 9.01 H new ATOM 0 HD3 PRO A -2 -3.005 16.788 -20.710 1.00 9.01 H new ATOM 34 N GLU A -1 -4.840 15.004 -17.042 1.00 6.51 N ATOM 35 CA GLU A -1 -5.844 14.499 -16.119 1.00 6.05 C ATOM 36 C GLU A -1 -6.086 13.014 -16.352 1.00 5.17 C ATOM 37 O GLU A -1 -7.221 12.538 -16.287 1.00 5.34 O ATOM 38 CB GLU A -1 -7.153 15.272 -16.286 1.00 6.62 C ATOM 39 CG GLU A -1 -7.078 16.711 -15.812 1.00 7.11 C ATOM 40 CD GLU A -1 -6.831 16.810 -14.324 1.00 7.82 C ATOM 41 OE1 GLU A -1 -7.690 16.359 -13.540 1.00 8.12 O ATOM 42 OE2 GLU A -1 -5.779 17.351 -13.928 1.00 8.29 O ATOM 0 H GLU A -1 -5.149 15.045 -18.013 1.00 6.51 H new ATOM 0 HA GLU A -1 -5.476 14.638 -15.102 1.00 6.05 H new ATOM 0 HB2 GLU A -1 -7.440 15.260 -17.338 1.00 6.62 H new ATOM 0 HB3 GLU A -1 -7.941 14.758 -15.735 1.00 6.62 H new ATOM 0 HG2 GLU A -1 -6.280 17.227 -16.346 1.00 7.11 H new ATOM 0 HG3 GLU A -1 -8.009 17.222 -16.059 1.00 7.11 H new ATOM 49 N PHE A 0 -5.014 12.286 -16.625 1.00 4.52 N ATOM 50 CA PHE A 0 -5.112 10.865 -16.905 1.00 3.81 C ATOM 51 C PHE A 0 -5.462 10.104 -15.628 1.00 2.87 C ATOM 52 O PHE A 0 -6.235 9.149 -15.675 1.00 2.71 O ATOM 53 CB PHE A 0 -3.800 10.353 -17.510 1.00 4.15 C ATOM 54 CG PHE A 0 -3.897 8.981 -18.124 1.00 4.33 C ATOM 55 CD1 PHE A 0 -5.028 8.597 -18.832 1.00 4.83 C ATOM 56 CD2 PHE A 0 -2.854 8.078 -17.998 1.00 4.43 C ATOM 57 CE1 PHE A 0 -5.113 7.340 -19.400 1.00 5.34 C ATOM 58 CE2 PHE A 0 -2.935 6.821 -18.565 1.00 4.95 C ATOM 59 CZ PHE A 0 -4.067 6.451 -19.265 1.00 5.37 C ATOM 0 H PHE A 0 -4.065 12.658 -16.658 1.00 4.52 H new ATOM 0 HA PHE A 0 -5.907 10.697 -17.631 1.00 3.81 H new ATOM 0 HB2 PHE A 0 -3.465 11.057 -18.272 1.00 4.15 H new ATOM 0 HB3 PHE A 0 -3.036 10.338 -16.733 1.00 4.15 H new ATOM 0 HD1 PHE A 0 -5.851 9.288 -18.940 1.00 4.83 H new ATOM 0 HD2 PHE A 0 -1.967 8.360 -17.450 1.00 4.43 H new ATOM 0 HE1 PHE A 0 -5.998 7.054 -19.949 1.00 5.34 H new ATOM 0 HE2 PHE A 0 -2.114 6.128 -18.461 1.00 4.95 H new ATOM 0 HZ PHE A 0 -4.133 5.467 -19.706 1.00 5.37 H new ATOM 69 N HIS A 1 -4.916 10.550 -14.493 1.00 2.77 N ATOM 70 CA HIS A 1 -5.250 9.977 -13.183 1.00 2.43 C ATOM 71 C HIS A 1 -5.103 8.455 -13.219 1.00 2.13 C ATOM 72 O HIS A 1 -6.041 7.714 -12.927 1.00 2.87 O ATOM 73 CB HIS A 1 -6.681 10.378 -12.785 1.00 3.10 C ATOM 74 CG HIS A 1 -7.001 10.221 -11.323 1.00 3.96 C ATOM 75 ND1 HIS A 1 -7.022 11.281 -10.441 1.00 4.72 N ATOM 76 CD2 HIS A 1 -7.348 9.129 -10.596 1.00 4.59 C ATOM 77 CE1 HIS A 1 -7.367 10.849 -9.241 1.00 5.61 C ATOM 78 NE2 HIS A 1 -7.572 9.548 -9.309 1.00 5.54 N ATOM 0 H HIS A 1 -4.237 11.310 -14.454 1.00 2.77 H new ATOM 0 HA HIS A 1 -4.560 10.369 -12.436 1.00 2.43 H new ATOM 0 HB2 HIS A 1 -6.843 11.418 -13.067 1.00 3.10 H new ATOM 0 HB3 HIS A 1 -7.384 9.778 -13.362 1.00 3.10 H new ATOM 0 HD2 HIS A 1 -7.432 8.117 -10.963 1.00 4.59 H new ATOM 0 HE1 HIS A 1 -7.465 11.458 -8.355 1.00 5.61 H new ATOM 0 HE2 HIS A 1 -7.852 8.950 -8.531 1.00 5.54 H new ATOM 87 N HIS A 2 -3.923 8.003 -13.601 1.00 1.52 N ATOM 88 CA HIS A 2 -3.670 6.583 -13.777 1.00 1.53 C ATOM 89 C HIS A 2 -2.908 6.036 -12.581 1.00 1.34 C ATOM 90 O HIS A 2 -1.679 6.112 -12.532 1.00 2.13 O ATOM 91 CB HIS A 2 -2.873 6.355 -15.062 1.00 1.86 C ATOM 92 CG HIS A 2 -2.906 4.943 -15.557 1.00 2.38 C ATOM 93 ND1 HIS A 2 -1.779 4.172 -15.717 1.00 2.75 N ATOM 94 CD2 HIS A 2 -3.942 4.178 -15.970 1.00 3.17 C ATOM 95 CE1 HIS A 2 -2.118 2.998 -16.209 1.00 3.57 C ATOM 96 NE2 HIS A 2 -3.429 2.974 -16.371 1.00 3.83 N ATOM 0 H HIS A 2 -3.120 8.601 -13.796 1.00 1.52 H new ATOM 0 HA HIS A 2 -4.622 6.058 -13.853 1.00 1.53 H new ATOM 0 HB2 HIS A 2 -3.263 7.011 -15.840 1.00 1.86 H new ATOM 0 HB3 HIS A 2 -1.836 6.645 -14.891 1.00 1.86 H new ATOM 0 HD2 HIS A 2 -4.983 4.465 -15.981 1.00 3.17 H new ATOM 0 HE1 HIS A 2 -1.439 2.191 -16.441 1.00 3.57 H new ATOM 0 HE2 HIS A 2 -3.969 2.189 -16.734 1.00 3.83 H new ATOM 105 N PHE A 3 -3.653 5.500 -11.621 1.00 1.08 N ATOM 106 CA PHE A 3 -3.084 4.977 -10.384 1.00 0.89 C ATOM 107 C PHE A 3 -2.332 6.059 -9.625 1.00 0.90 C ATOM 108 O PHE A 3 -1.252 5.811 -9.080 1.00 1.22 O ATOM 109 CB PHE A 3 -2.151 3.788 -10.652 1.00 0.94 C ATOM 110 CG PHE A 3 -2.868 2.507 -10.964 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.292 1.670 -9.945 1.00 0.90 C ATOM 112 CD2 PHE A 3 -3.123 2.144 -12.275 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.956 0.494 -10.233 1.00 0.97 C ATOM 114 CE2 PHE A 3 -3.786 0.968 -12.569 1.00 0.99 C ATOM 115 CZ PHE A 3 -4.188 0.129 -11.528 1.00 0.96 C ATOM 0 H PHE A 3 -4.668 5.416 -11.678 1.00 1.08 H new ATOM 0 HA PHE A 3 -3.917 4.631 -9.772 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.493 4.036 -11.485 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.516 3.634 -9.779 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.102 1.939 -8.917 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -2.799 2.789 -13.079 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.294 -0.142 -9.428 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -3.991 0.700 -13.595 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.681 -0.807 -11.747 1.00 0.96 H new ATOM 125 N THR A 4 -2.885 7.264 -9.598 1.00 0.74 N ATOM 126 CA THR A 4 -2.300 8.352 -8.843 1.00 0.76 C ATOM 127 C THR A 4 -2.565 8.139 -7.363 1.00 0.71 C ATOM 128 O THR A 4 -3.547 7.492 -7.008 1.00 0.76 O ATOM 129 CB THR A 4 -2.858 9.719 -9.285 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.283 9.745 -9.134 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.497 10.014 -10.730 1.00 0.96 C ATOM 0 H THR A 4 -3.742 7.509 -10.094 1.00 0.74 H new ATOM 0 HA THR A 4 -1.227 8.358 -9.033 1.00 0.76 H new ATOM 0 HB THR A 4 -2.411 10.484 -8.650 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.609 10.660 -9.262 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.903 10.984 -11.016 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.413 10.028 -10.838 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.916 9.241 -11.375 1.00 0.96 H new ATOM 139 N LEU A 5 -1.691 8.642 -6.516 1.00 0.74 N ATOM 140 CA LEU A 5 -1.750 8.370 -5.083 1.00 0.77 C ATOM 141 C LEU A 5 -3.145 8.627 -4.486 1.00 0.67 C ATOM 142 O LEU A 5 -3.645 7.792 -3.731 1.00 0.73 O ATOM 143 CB LEU A 5 -0.688 9.222 -4.364 1.00 0.91 C ATOM 144 CG LEU A 5 -0.246 8.757 -2.963 1.00 1.02 C ATOM 145 CD1 LEU A 5 -1.306 9.056 -1.913 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.087 7.271 -2.967 1.00 1.67 C ATOM 0 H LEU A 5 -0.920 9.249 -6.794 1.00 0.74 H new ATOM 0 HA LEU A 5 -1.544 7.310 -4.935 1.00 0.77 H new ATOM 0 HB2 LEU A 5 0.196 9.268 -5.000 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.072 10.239 -4.278 1.00 0.91 H new ATOM 0 HG LEU A 5 0.652 9.318 -2.703 1.00 1.02 H new ATOM 0 HD11 LEU A 5 -0.959 8.714 -0.938 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -1.489 10.130 -1.877 1.00 1.67 H new ATOM 0 HD13 LEU A 5 -2.230 8.539 -2.171 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.397 6.965 -1.968 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.794 6.702 -3.265 1.00 1.67 H new ATOM 0 HD23 LEU A 5 0.897 7.081 -3.672 1.00 1.67 H new ATOM 158 N GLU A 6 -3.781 9.735 -4.899 1.00 0.60 N ATOM 159 CA GLU A 6 -5.186 10.047 -4.539 1.00 0.58 C ATOM 160 C GLU A 6 -6.074 8.802 -4.657 1.00 0.59 C ATOM 161 O GLU A 6 -6.968 8.625 -3.830 1.00 0.61 O ATOM 162 CB GLU A 6 -5.737 11.129 -5.465 1.00 0.62 C ATOM 163 CG GLU A 6 -4.930 12.411 -5.472 1.00 0.87 C ATOM 164 CD GLU A 6 -5.028 13.127 -6.799 1.00 1.35 C ATOM 165 OE1 GLU A 6 -4.246 12.806 -7.718 1.00 1.80 O ATOM 166 OE2 GLU A 6 -5.878 14.034 -6.920 1.00 1.68 O ATOM 0 H GLU A 6 -3.343 10.442 -5.490 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.194 10.396 -3.507 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.780 10.735 -6.480 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.760 11.359 -5.168 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -5.284 13.068 -4.677 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.886 12.185 -5.257 1.00 0.87 H new ATOM 173 N SER A 7 -5.862 7.967 -5.663 1.00 0.59 N ATOM 174 CA SER A 7 -6.809 6.897 -6.003 1.00 0.63 C ATOM 175 C SER A 7 -7.137 5.959 -4.830 1.00 0.62 C ATOM 176 O SER A 7 -8.130 5.232 -4.886 1.00 0.78 O ATOM 177 CB SER A 7 -6.266 6.081 -7.177 1.00 0.67 C ATOM 178 OG SER A 7 -5.891 6.928 -8.252 1.00 1.14 O ATOM 0 H SER A 7 -5.040 8.004 -6.266 1.00 0.59 H new ATOM 0 HA SER A 7 -7.743 7.390 -6.272 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.405 5.497 -6.852 1.00 0.67 H new ATOM 0 HB3 SER A 7 -7.023 5.373 -7.514 1.00 0.67 H new ATOM 0 HG SER A 7 -4.982 7.263 -8.103 1.00 1.14 H new ATOM 184 N SER A 8 -6.324 5.951 -3.780 1.00 0.53 N ATOM 185 CA SER A 8 -6.544 5.033 -2.670 1.00 0.52 C ATOM 186 C SER A 8 -7.265 5.652 -1.467 1.00 0.48 C ATOM 187 O SER A 8 -7.853 4.941 -0.669 1.00 0.48 O ATOM 188 CB SER A 8 -5.227 4.411 -2.236 1.00 0.57 C ATOM 189 OG SER A 8 -4.239 5.408 -2.073 1.00 1.02 O ATOM 0 H SER A 8 -5.515 6.563 -3.674 1.00 0.53 H new ATOM 0 HA SER A 8 -7.217 4.265 -3.050 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.364 3.870 -1.300 1.00 0.57 H new ATOM 0 HB3 SER A 8 -4.899 3.684 -2.979 1.00 0.57 H new ATOM 0 HG SER A 8 -3.350 4.999 -2.125 1.00 1.02 H new ATOM 195 N LEU A 9 -7.144 6.971 -1.310 1.00 0.47 N ATOM 196 CA LEU A 9 -7.423 7.681 -0.061 1.00 0.46 C ATOM 197 C LEU A 9 -8.765 7.418 0.639 1.00 0.46 C ATOM 198 O LEU A 9 -8.879 7.514 1.858 1.00 0.42 O ATOM 199 CB LEU A 9 -7.231 9.169 -0.297 1.00 0.49 C ATOM 200 CG LEU A 9 -5.770 9.631 -0.356 1.00 0.49 C ATOM 201 CD1 LEU A 9 -5.108 9.471 0.993 1.00 1.04 C ATOM 202 CD2 LEU A 9 -4.964 8.868 -1.379 1.00 0.78 C ATOM 0 H LEU A 9 -6.843 7.589 -2.064 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.708 7.266 0.649 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -7.720 9.440 -1.233 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.738 9.716 0.498 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.792 10.681 -0.648 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -4.072 9.804 0.932 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -5.639 10.071 1.732 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -5.135 8.422 1.290 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -3.937 9.234 -1.380 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -4.971 7.807 -1.130 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.401 9.011 -2.367 1.00 0.78 H new ATOM 214 N ASP A 10 -9.770 7.113 -0.164 1.00 0.51 N ATOM 215 CA ASP A 10 -11.090 6.764 0.378 1.00 0.53 C ATOM 216 C ASP A 10 -11.340 5.276 0.279 1.00 0.54 C ATOM 217 O ASP A 10 -12.437 4.803 0.571 1.00 0.57 O ATOM 218 CB ASP A 10 -12.195 7.519 -0.366 1.00 0.57 C ATOM 219 CG ASP A 10 -12.158 9.014 -0.115 1.00 0.78 C ATOM 220 OD1 ASP A 10 -11.409 9.717 -0.828 1.00 1.32 O ATOM 221 OD2 ASP A 10 -12.864 9.488 0.800 1.00 0.77 O ATOM 0 H ASP A 10 -9.708 7.097 -1.182 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.103 7.053 1.429 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.099 7.332 -1.436 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.165 7.128 -0.060 1.00 0.57 H new ATOM 226 N THR A 11 -10.340 4.538 -0.129 1.00 0.54 N ATOM 227 CA THR A 11 -10.461 3.106 -0.223 1.00 0.56 C ATOM 228 C THR A 11 -9.294 2.396 0.456 1.00 0.53 C ATOM 229 O THR A 11 -9.322 2.125 1.659 1.00 0.53 O ATOM 230 CB THR A 11 -10.570 2.636 -1.690 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.519 3.224 -2.475 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.921 3.003 -2.287 1.00 0.69 C ATOM 0 H THR A 11 -9.429 4.907 -0.402 1.00 0.54 H new ATOM 0 HA THR A 11 -11.382 2.840 0.297 1.00 0.56 H new ATOM 0 HB THR A 11 -10.472 1.550 -1.703 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.595 2.919 -3.403 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.968 2.659 -3.320 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.715 2.528 -1.710 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.050 4.085 -2.259 1.00 0.69 H new ATOM 240 N HIS A 12 -8.266 2.121 -0.334 1.00 0.51 N ATOM 241 CA HIS A 12 -7.086 1.420 0.152 1.00 0.49 C ATOM 242 C HIS A 12 -6.389 2.214 1.261 1.00 0.43 C ATOM 243 O HIS A 12 -5.900 1.629 2.224 1.00 0.43 O ATOM 244 CB HIS A 12 -6.138 1.098 -1.006 1.00 0.49 C ATOM 245 CG HIS A 12 -6.848 0.489 -2.183 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.664 -0.615 -2.076 1.00 1.50 N ATOM 247 CD2 HIS A 12 -6.900 0.866 -3.483 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.186 -0.891 -3.255 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.739 -0.010 -4.125 1.00 0.66 N ATOM 0 H HIS A 12 -8.226 2.375 -1.321 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.402 0.474 0.591 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.635 2.011 -1.323 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.365 0.412 -0.658 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -6.379 1.700 -3.930 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.865 -1.703 -3.470 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.978 0.017 -5.116 1.00 0.66 H new ATOM 258 N LEU A 13 -6.329 3.531 1.129 1.00 0.40 N ATOM 259 CA LEU A 13 -5.573 4.335 2.085 1.00 0.36 C ATOM 260 C LEU A 13 -6.466 5.154 3.009 1.00 0.34 C ATOM 261 O LEU A 13 -6.048 6.143 3.607 1.00 0.32 O ATOM 262 CB LEU A 13 -4.593 5.262 1.368 1.00 0.34 C ATOM 263 CG LEU A 13 -3.348 4.585 0.783 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.377 5.632 0.258 1.00 1.13 C ATOM 265 CD2 LEU A 13 -2.668 3.704 1.821 1.00 0.84 C ATOM 0 H LEU A 13 -6.784 4.060 0.385 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.021 3.627 2.703 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.123 5.767 0.561 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.270 6.032 2.069 1.00 0.34 H new ATOM 0 HG LEU A 13 -3.663 3.950 -0.045 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.497 5.138 -0.155 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.862 6.220 -0.521 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -2.075 6.289 1.073 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -1.788 3.236 1.380 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -2.367 4.313 2.674 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.362 2.932 2.154 1.00 0.84 H new ATOM 277 N LYS A 14 -7.712 4.707 3.107 1.00 0.38 N ATOM 278 CA LYS A 14 -8.748 5.391 3.857 1.00 0.38 C ATOM 279 C LYS A 14 -8.433 5.429 5.354 1.00 0.35 C ATOM 280 O LYS A 14 -8.890 6.316 6.077 1.00 0.36 O ATOM 281 CB LYS A 14 -10.078 4.685 3.601 1.00 0.45 C ATOM 282 CG LYS A 14 -11.274 5.474 4.063 1.00 0.64 C ATOM 283 CD LYS A 14 -12.585 4.737 3.807 1.00 0.67 C ATOM 284 CE LYS A 14 -12.664 3.410 4.551 1.00 1.26 C ATOM 285 NZ LYS A 14 -12.638 3.587 6.031 1.00 1.69 N ATOM 0 H LYS A 14 -8.031 3.847 2.660 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.804 6.427 3.522 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.175 4.485 2.534 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.072 3.720 4.107 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -11.179 5.684 5.128 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -11.293 6.435 3.549 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -13.419 5.370 4.110 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.694 4.557 2.737 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -13.579 2.890 4.266 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.830 2.777 4.249 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -12.813 2.672 6.493 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -11.707 3.949 6.321 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.376 4.264 6.313 1.00 1.69 H new ATOM 299 N TRP A 15 -7.633 4.471 5.799 1.00 0.34 N ATOM 300 CA TRP A 15 -7.274 4.345 7.211 1.00 0.33 C ATOM 301 C TRP A 15 -6.270 5.420 7.630 1.00 0.29 C ATOM 302 O TRP A 15 -5.956 5.554 8.816 1.00 0.29 O ATOM 303 CB TRP A 15 -6.670 2.964 7.462 1.00 0.35 C ATOM 304 CG TRP A 15 -5.525 2.668 6.547 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.607 2.182 5.278 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.128 2.851 6.818 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.355 2.061 4.737 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.426 2.458 5.664 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.404 3.308 7.923 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.036 2.509 5.582 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.025 3.357 7.841 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.355 2.959 6.678 1.00 0.30 C ATOM 0 H TRP A 15 -7.214 3.761 5.198 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.180 4.474 7.803 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.331 2.901 8.496 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.441 2.204 7.333 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.526 1.929 4.771 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.147 1.729 3.795 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -3.913 3.617 8.824 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.516 2.204 4.686 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.455 3.708 8.688 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.277 3.009 6.646 1.00 0.30 H new ATOM 323 N LEU A 16 -5.773 6.183 6.664 1.00 0.28 N ATOM 324 CA LEU A 16 -4.899 7.308 6.959 1.00 0.26 C ATOM 325 C LEU A 16 -5.738 8.451 7.511 1.00 0.27 C ATOM 326 O LEU A 16 -6.893 8.638 7.132 1.00 0.31 O ATOM 327 CB LEU A 16 -4.173 7.789 5.695 1.00 0.25 C ATOM 328 CG LEU A 16 -3.287 6.763 4.981 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.780 7.343 3.672 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.111 6.347 5.848 1.00 0.30 C ATOM 0 H LEU A 16 -5.961 6.042 5.671 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.154 6.988 7.687 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.921 8.145 4.987 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.555 8.646 5.962 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.890 5.877 4.782 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.151 6.609 3.169 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.627 7.594 3.033 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.198 8.243 3.874 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.503 5.619 5.311 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.505 7.222 6.084 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.480 5.901 6.772 1.00 0.30 H new ATOM 342 N SER A 17 -5.127 9.215 8.394 1.00 0.27 N ATOM 343 CA SER A 17 -5.795 10.379 8.949 1.00 0.30 C ATOM 344 C SER A 17 -5.705 11.526 7.956 1.00 0.33 C ATOM 345 O SER A 17 -4.926 11.449 7.004 1.00 0.34 O ATOM 346 CB SER A 17 -5.173 10.778 10.287 1.00 0.31 C ATOM 347 OG SER A 17 -3.853 11.255 10.114 1.00 1.24 O ATOM 0 H SER A 17 -4.181 9.056 8.740 1.00 0.27 H new ATOM 0 HA SER A 17 -6.842 10.137 9.130 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.782 11.549 10.759 1.00 0.31 H new ATOM 0 HB3 SER A 17 -5.167 9.920 10.959 1.00 0.31 H new ATOM 0 HG SER A 17 -3.372 11.203 10.966 1.00 1.24 H new ATOM 353 N GLN A 18 -6.489 12.577 8.149 1.00 0.36 N ATOM 354 CA GLN A 18 -6.447 13.710 7.235 1.00 0.41 C ATOM 355 C GLN A 18 -5.031 14.273 7.192 1.00 0.41 C ATOM 356 O GLN A 18 -4.479 14.506 6.118 1.00 0.42 O ATOM 357 CB GLN A 18 -7.449 14.790 7.652 1.00 0.47 C ATOM 358 CG GLN A 18 -7.575 15.926 6.652 1.00 1.19 C ATOM 359 CD GLN A 18 -8.201 15.482 5.343 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.023 14.565 5.317 1.00 1.90 O ATOM 361 NE2 GLN A 18 -7.814 16.122 4.254 1.00 1.91 N ATOM 0 H GLN A 18 -7.153 12.669 8.918 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.728 13.371 6.238 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.428 14.331 7.791 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.148 15.199 8.617 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.178 16.723 7.087 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.588 16.344 6.455 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -7.130 16.876 4.321 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -8.199 15.862 3.346 1.00 1.91 H new ATOM 370 N GLU A 19 -4.450 14.463 8.369 1.00 0.41 N ATOM 371 CA GLU A 19 -3.111 14.986 8.479 1.00 0.42 C ATOM 372 C GLU A 19 -2.102 14.090 7.758 1.00 0.40 C ATOM 373 O GLU A 19 -1.123 14.589 7.203 1.00 0.42 O ATOM 374 CB GLU A 19 -2.749 15.122 9.944 1.00 0.41 C ATOM 375 CG GLU A 19 -3.596 16.132 10.694 1.00 1.18 C ATOM 376 CD GLU A 19 -3.067 16.395 12.083 1.00 1.79 C ATOM 377 OE1 GLU A 19 -2.212 17.288 12.231 1.00 2.01 O ATOM 378 OE2 GLU A 19 -3.492 15.701 13.030 1.00 2.49 O ATOM 0 H GLU A 19 -4.896 14.258 9.263 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.076 15.965 8.001 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.850 14.149 10.425 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.701 15.410 10.024 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.625 17.067 10.134 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.621 15.768 10.760 1.00 1.18 H new ATOM 385 N GLN A 20 -2.324 12.779 7.771 1.00 0.37 N ATOM 386 CA GLN A 20 -1.448 11.854 7.055 1.00 0.36 C ATOM 387 C GLN A 20 -1.693 11.966 5.556 1.00 0.38 C ATOM 388 O GLN A 20 -0.745 12.019 4.775 1.00 0.41 O ATOM 389 CB GLN A 20 -1.674 10.414 7.524 1.00 0.33 C ATOM 390 CG GLN A 20 -1.313 10.188 8.982 1.00 0.37 C ATOM 391 CD GLN A 20 -1.663 8.793 9.463 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.596 8.169 8.963 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.934 8.306 10.452 1.00 1.04 N ATOM 0 H GLN A 20 -3.097 12.334 8.266 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.413 12.121 7.269 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.721 10.151 7.372 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.083 9.741 6.903 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.245 10.357 9.118 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -1.833 10.921 9.598 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.168 8.856 10.840 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.138 7.380 10.828 1.00 1.04 H new ATOM 402 N LYS A 21 -2.958 12.000 5.153 1.00 0.38 N ATOM 403 CA LYS A 21 -3.306 12.165 3.745 1.00 0.42 C ATOM 404 C LYS A 21 -2.655 13.431 3.199 1.00 0.42 C ATOM 405 O LYS A 21 -1.992 13.414 2.165 1.00 0.43 O ATOM 406 CB LYS A 21 -4.825 12.261 3.562 1.00 0.47 C ATOM 407 CG LYS A 21 -5.603 11.028 4.007 1.00 0.56 C ATOM 408 CD LYS A 21 -7.043 11.101 3.513 1.00 0.54 C ATOM 409 CE LYS A 21 -7.800 9.796 3.708 1.00 0.57 C ATOM 410 NZ LYS A 21 -8.292 9.626 5.099 1.00 0.95 N ATOM 0 H LYS A 21 -3.759 11.916 5.779 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.942 11.293 3.201 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.190 13.124 4.119 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.039 12.448 2.510 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.124 10.129 3.620 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.588 10.954 5.094 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.563 11.900 4.041 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.047 11.363 2.455 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -8.645 9.764 3.021 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.149 8.960 3.452 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.128 9.007 5.098 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -7.544 9.198 5.682 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -8.549 10.554 5.492 1.00 0.95 H new ATOM 424 N ASP A 22 -2.836 14.513 3.934 1.00 0.44 N ATOM 425 CA ASP A 22 -2.271 15.813 3.586 1.00 0.46 C ATOM 426 C ASP A 22 -0.745 15.804 3.652 1.00 0.46 C ATOM 427 O ASP A 22 -0.097 16.490 2.858 1.00 0.48 O ATOM 428 CB ASP A 22 -2.799 16.861 4.569 1.00 0.49 C ATOM 429 CG ASP A 22 -2.154 18.219 4.384 1.00 0.58 C ATOM 430 OD1 ASP A 22 -2.478 18.916 3.401 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.317 18.596 5.229 1.00 0.64 O ATOM 0 H ASP A 22 -3.382 14.519 4.796 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.567 16.048 2.563 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -3.878 16.957 4.446 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.624 16.517 5.588 1.00 0.49 H new ATOM 436 N GLU A 23 -0.168 15.032 4.558 1.00 0.44 N ATOM 437 CA GLU A 23 1.263 14.811 4.569 1.00 0.45 C ATOM 438 C GLU A 23 1.734 14.189 3.254 1.00 0.42 C ATOM 439 O GLU A 23 2.633 14.723 2.601 1.00 0.44 O ATOM 440 CB GLU A 23 1.635 13.913 5.740 1.00 0.47 C ATOM 441 CG GLU A 23 2.876 14.391 6.438 1.00 0.71 C ATOM 442 CD GLU A 23 3.218 13.603 7.684 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.878 12.551 7.563 1.00 1.40 O ATOM 444 OE2 GLU A 23 2.814 14.017 8.790 1.00 1.43 O ATOM 0 H GLU A 23 -0.675 14.547 5.298 1.00 0.44 H new ATOM 0 HA GLU A 23 1.760 15.774 4.681 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.808 13.881 6.450 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.788 12.895 5.383 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.715 14.338 5.744 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.750 15.440 6.706 1.00 0.71 H new ATOM 451 N LEU A 24 1.133 13.072 2.862 1.00 0.40 N ATOM 452 CA LEU A 24 1.481 12.394 1.626 1.00 0.39 C ATOM 453 C LEU A 24 1.234 13.281 0.407 1.00 0.39 C ATOM 454 O LEU A 24 2.066 13.342 -0.500 1.00 0.41 O ATOM 455 CB LEU A 24 0.667 11.107 1.517 1.00 0.38 C ATOM 456 CG LEU A 24 1.228 9.912 2.289 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.539 10.248 3.731 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.261 8.747 2.210 1.00 1.33 C ATOM 0 H LEU A 24 0.392 12.614 3.393 1.00 0.40 H new ATOM 0 HA LEU A 24 2.546 12.161 1.647 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.345 11.305 1.871 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.588 10.834 0.465 1.00 0.38 H new ATOM 0 HG LEU A 24 2.172 9.634 1.821 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.934 9.365 4.233 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.279 11.048 3.767 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.628 10.574 4.233 1.00 1.16 H new ATOM 0 HD21 LEU A 24 0.667 7.899 2.762 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.696 9.038 2.644 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.116 8.465 1.167 1.00 1.33 H new ATOM 470 N LEU A 25 0.092 13.964 0.391 1.00 0.40 N ATOM 471 CA LEU A 25 -0.237 14.880 -0.694 1.00 0.43 C ATOM 472 C LEU A 25 0.816 15.975 -0.799 1.00 0.46 C ATOM 473 O LEU A 25 1.223 16.354 -1.894 1.00 0.48 O ATOM 474 CB LEU A 25 -1.624 15.490 -0.483 1.00 0.45 C ATOM 475 CG LEU A 25 -2.789 14.500 -0.557 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.111 15.212 -0.316 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.806 13.792 -1.903 1.00 1.06 C ATOM 0 H LEU A 25 -0.620 13.899 1.118 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.249 14.318 -1.628 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.644 15.978 0.491 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.780 16.266 -1.232 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.652 13.752 0.224 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -4.928 14.492 -0.372 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.101 15.673 0.672 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.253 15.982 -1.074 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.641 13.093 -1.936 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -2.917 14.528 -2.700 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -1.872 13.248 -2.040 1.00 1.06 H new ATOM 489 N LYS A 26 1.268 16.461 0.352 1.00 0.47 N ATOM 490 CA LYS A 26 2.286 17.500 0.408 1.00 0.51 C ATOM 491 C LYS A 26 3.589 17.010 -0.204 1.00 0.49 C ATOM 492 O LYS A 26 4.228 17.719 -0.980 1.00 0.51 O ATOM 493 CB LYS A 26 2.530 17.917 1.859 1.00 0.56 C ATOM 494 CG LYS A 26 3.604 18.983 2.017 1.00 0.93 C ATOM 495 CD LYS A 26 3.902 19.266 3.482 1.00 1.62 C ATOM 496 CE LYS A 26 4.378 18.017 4.205 1.00 2.50 C ATOM 497 NZ LYS A 26 4.714 18.292 5.628 1.00 3.24 N ATOM 0 H LYS A 26 0.941 16.147 1.266 1.00 0.47 H new ATOM 0 HA LYS A 26 1.930 18.358 -0.163 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.597 18.288 2.283 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.815 17.038 2.437 1.00 0.56 H new ATOM 0 HG2 LYS A 26 4.516 18.658 1.516 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.281 19.901 1.527 1.00 0.93 H new ATOM 0 HD2 LYS A 26 4.663 20.043 3.556 1.00 1.62 H new ATOM 0 HD3 LYS A 26 3.006 19.650 3.969 1.00 1.62 H new ATOM 0 HE2 LYS A 26 3.603 17.252 4.157 1.00 2.50 H new ATOM 0 HE3 LYS A 26 5.254 17.615 3.696 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 5.034 17.414 6.085 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 5.472 19.003 5.675 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 3.871 18.651 6.121 1.00 3.24 H new ATOM 511 N MET A 27 3.974 15.790 0.147 1.00 0.47 N ATOM 512 CA MET A 27 5.170 15.182 -0.419 1.00 0.47 C ATOM 513 C MET A 27 5.084 15.053 -1.935 1.00 0.47 C ATOM 514 O MET A 27 5.959 15.535 -2.651 1.00 0.49 O ATOM 515 CB MET A 27 5.433 13.806 0.194 1.00 0.49 C ATOM 516 CG MET A 27 5.664 13.826 1.695 1.00 0.50 C ATOM 517 SD MET A 27 6.655 12.427 2.261 1.00 0.92 S ATOM 518 CE MET A 27 5.701 11.051 1.627 1.00 0.79 C ATOM 0 H MET A 27 3.477 15.204 0.818 1.00 0.47 H new ATOM 0 HA MET A 27 5.999 15.848 -0.178 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.585 13.156 -0.023 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.304 13.366 -0.290 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.163 14.755 1.970 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.702 13.817 2.208 1.00 0.50 H new ATOM 0 HE1 MET A 27 5.828 10.188 2.281 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.647 11.326 1.589 1.00 0.79 H new ATOM 0 HE3 MET A 27 6.047 10.800 0.624 1.00 0.79 H new ATOM 528 N LYS A 28 4.018 14.435 -2.425 1.00 0.45 N ATOM 529 CA LYS A 28 3.846 14.224 -3.859 1.00 0.49 C ATOM 530 C LYS A 28 3.755 15.555 -4.607 1.00 0.54 C ATOM 531 O LYS A 28 4.290 15.705 -5.704 1.00 0.58 O ATOM 532 CB LYS A 28 2.585 13.402 -4.119 1.00 0.50 C ATOM 533 CG LYS A 28 2.551 12.786 -5.508 1.00 0.79 C ATOM 534 CD LYS A 28 1.330 11.907 -5.703 1.00 1.41 C ATOM 535 CE LYS A 28 1.380 11.167 -7.031 1.00 1.82 C ATOM 536 NZ LYS A 28 1.502 12.093 -8.187 1.00 2.44 N ATOM 0 H LYS A 28 3.258 14.070 -1.851 1.00 0.45 H new ATOM 0 HA LYS A 28 4.718 13.682 -4.226 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.516 12.609 -3.374 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.710 14.039 -3.989 1.00 0.50 H new ATOM 0 HG2 LYS A 28 2.553 13.578 -6.257 1.00 0.79 H new ATOM 0 HG3 LYS A 28 3.453 12.195 -5.666 1.00 0.79 H new ATOM 0 HD2 LYS A 28 1.265 11.187 -4.887 1.00 1.41 H new ATOM 0 HD3 LYS A 28 0.429 12.519 -5.661 1.00 1.41 H new ATOM 0 HE2 LYS A 28 2.225 10.478 -7.029 1.00 1.82 H new ATOM 0 HE3 LYS A 28 0.478 10.565 -7.144 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.363 11.564 -9.072 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 0.781 12.839 -8.112 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 2.448 12.525 -8.187 1.00 2.44 H new ATOM 550 N LYS A 29 3.086 16.524 -3.993 1.00 0.55 N ATOM 551 CA LYS A 29 2.911 17.836 -4.605 1.00 0.62 C ATOM 552 C LYS A 29 4.219 18.619 -4.656 1.00 0.64 C ATOM 553 O LYS A 29 4.437 19.407 -5.577 1.00 0.72 O ATOM 554 CB LYS A 29 1.844 18.640 -3.855 1.00 0.62 C ATOM 555 CG LYS A 29 1.459 19.946 -4.538 1.00 1.13 C ATOM 556 CD LYS A 29 0.939 19.702 -5.949 1.00 1.57 C ATOM 557 CE LYS A 29 0.519 20.998 -6.625 1.00 2.08 C ATOM 558 NZ LYS A 29 -0.661 21.616 -5.964 1.00 2.69 N ATOM 0 H LYS A 29 2.656 16.426 -3.073 1.00 0.55 H new ATOM 0 HA LYS A 29 2.582 17.674 -5.631 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.952 18.024 -3.742 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.208 18.860 -2.851 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.695 20.455 -3.950 1.00 1.13 H new ATOM 0 HG3 LYS A 29 2.325 20.607 -4.577 1.00 1.13 H new ATOM 0 HD2 LYS A 29 1.713 19.216 -6.543 1.00 1.57 H new ATOM 0 HD3 LYS A 29 0.090 19.019 -5.911 1.00 1.57 H new ATOM 0 HE2 LYS A 29 1.352 21.701 -6.610 1.00 2.08 H new ATOM 0 HE3 LYS A 29 0.286 20.802 -7.672 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -1.027 22.387 -6.558 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -1.402 20.898 -5.833 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -0.380 21.996 -5.038 1.00 2.69 H new ATOM 572 N ASP A 30 5.096 18.399 -3.685 1.00 0.62 N ATOM 573 CA ASP A 30 6.348 19.151 -3.621 1.00 0.66 C ATOM 574 C ASP A 30 7.465 18.435 -4.383 1.00 0.65 C ATOM 575 O ASP A 30 8.598 18.906 -4.472 1.00 0.69 O ATOM 576 CB ASP A 30 6.754 19.400 -2.164 1.00 0.67 C ATOM 577 CG ASP A 30 7.956 20.318 -2.034 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.831 21.520 -2.352 1.00 1.32 O ATOM 579 OD2 ASP A 30 9.033 19.841 -1.619 1.00 2.14 O ATOM 0 H ASP A 30 4.969 17.716 -2.939 1.00 0.62 H new ATOM 0 HA ASP A 30 6.185 20.116 -4.102 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.911 19.835 -1.627 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.978 18.446 -1.687 1.00 0.67 H new ATOM 584 N GLY A 31 7.109 17.293 -4.955 1.00 0.62 N ATOM 585 CA GLY A 31 8.020 16.601 -5.838 1.00 0.62 C ATOM 586 C GLY A 31 8.832 15.541 -5.142 1.00 0.61 C ATOM 587 O GLY A 31 9.916 15.180 -5.603 1.00 0.63 O ATOM 0 H GLY A 31 6.207 16.836 -4.822 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.452 16.142 -6.647 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.695 17.326 -6.293 1.00 0.62 H new ATOM 591 N LYS A 32 8.327 15.047 -4.023 1.00 0.59 N ATOM 592 CA LYS A 32 8.941 13.911 -3.377 1.00 0.58 C ATOM 593 C LYS A 32 8.693 12.679 -4.231 1.00 0.56 C ATOM 594 O LYS A 32 7.665 12.570 -4.904 1.00 0.55 O ATOM 595 CB LYS A 32 8.407 13.711 -1.955 1.00 0.57 C ATOM 596 CG LYS A 32 8.803 14.817 -0.983 1.00 0.63 C ATOM 597 CD LYS A 32 10.316 14.959 -0.878 1.00 0.76 C ATOM 598 CE LYS A 32 10.717 16.004 0.154 1.00 1.15 C ATOM 599 NZ LYS A 32 10.408 15.570 1.544 1.00 1.65 N ATOM 0 H LYS A 32 7.501 15.415 -3.551 1.00 0.59 H new ATOM 0 HA LYS A 32 10.013 14.088 -3.284 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.320 13.646 -1.992 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.771 12.757 -1.572 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.371 15.762 -1.311 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.388 14.602 0.002 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.753 13.997 -0.610 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.723 15.234 -1.851 1.00 0.76 H new ATOM 0 HE2 LYS A 32 11.785 16.207 0.067 1.00 1.15 H new ATOM 0 HE3 LYS A 32 10.197 16.939 -0.057 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 10.832 16.238 2.219 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 9.377 15.549 1.680 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 10.798 14.620 1.706 1.00 1.65 H new ATOM 613 N ALA A 33 9.634 11.769 -4.202 1.00 0.56 N ATOM 614 CA ALA A 33 9.568 10.574 -5.032 1.00 0.55 C ATOM 615 C ALA A 33 8.436 9.671 -4.587 1.00 0.52 C ATOM 616 O ALA A 33 8.091 9.645 -3.410 1.00 0.50 O ATOM 617 CB ALA A 33 10.882 9.812 -4.986 1.00 0.59 C ATOM 0 H ALA A 33 10.463 11.826 -3.611 1.00 0.56 H new ATOM 0 HA ALA A 33 9.381 10.892 -6.058 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.809 8.923 -5.613 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.686 10.450 -5.353 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.095 9.515 -3.959 1.00 0.59 H new ATOM 623 N LYS A 34 7.864 8.931 -5.527 1.00 0.53 N ATOM 624 CA LYS A 34 6.825 7.951 -5.221 1.00 0.51 C ATOM 625 C LYS A 34 7.327 6.995 -4.137 1.00 0.51 C ATOM 626 O LYS A 34 6.583 6.611 -3.237 1.00 0.48 O ATOM 627 CB LYS A 34 6.461 7.192 -6.504 1.00 0.56 C ATOM 628 CG LYS A 34 5.416 6.101 -6.336 1.00 1.21 C ATOM 629 CD LYS A 34 4.120 6.628 -5.745 1.00 1.64 C ATOM 630 CE LYS A 34 2.993 5.621 -5.912 1.00 2.21 C ATOM 631 NZ LYS A 34 3.385 4.263 -5.459 1.00 2.97 N ATOM 0 H LYS A 34 8.103 8.990 -6.517 1.00 0.53 H new ATOM 0 HA LYS A 34 5.932 8.450 -4.846 1.00 0.51 H new ATOM 0 HB2 LYS A 34 6.099 7.909 -7.241 1.00 0.56 H new ATOM 0 HB3 LYS A 34 7.367 6.745 -6.912 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.212 5.645 -7.305 1.00 1.21 H new ATOM 0 HG3 LYS A 34 5.814 5.317 -5.692 1.00 1.21 H new ATOM 0 HD2 LYS A 34 4.262 6.847 -4.687 1.00 1.64 H new ATOM 0 HD3 LYS A 34 3.849 7.565 -6.231 1.00 1.64 H new ATOM 0 HE2 LYS A 34 2.123 5.954 -5.346 1.00 2.21 H new ATOM 0 HE3 LYS A 34 2.695 5.581 -6.960 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 3.523 3.648 -6.286 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 4.271 4.320 -4.918 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 2.636 3.869 -4.855 1.00 2.97 H new ATOM 645 N LYS A 35 8.607 6.658 -4.211 1.00 0.54 N ATOM 646 CA LYS A 35 9.254 5.805 -3.222 1.00 0.56 C ATOM 647 C LYS A 35 9.146 6.386 -1.799 1.00 0.53 C ATOM 648 O LYS A 35 9.332 5.673 -0.814 1.00 0.55 O ATOM 649 CB LYS A 35 10.722 5.616 -3.609 1.00 0.61 C ATOM 650 CG LYS A 35 11.443 4.537 -2.818 1.00 1.17 C ATOM 651 CD LYS A 35 10.816 3.166 -3.030 1.00 1.56 C ATOM 652 CE LYS A 35 10.893 2.727 -4.484 1.00 2.18 C ATOM 653 NZ LYS A 35 10.283 1.388 -4.690 1.00 2.82 N ATOM 0 H LYS A 35 9.227 6.968 -4.959 1.00 0.54 H new ATOM 0 HA LYS A 35 8.743 4.842 -3.213 1.00 0.56 H new ATOM 0 HB2 LYS A 35 10.777 5.371 -4.670 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.246 6.562 -3.473 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.491 4.507 -3.116 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.420 4.787 -1.757 1.00 1.17 H new ATOM 0 HD2 LYS A 35 11.323 2.434 -2.402 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.774 3.190 -2.713 1.00 1.56 H new ATOM 0 HE2 LYS A 35 10.384 3.458 -5.112 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.935 2.704 -4.802 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 10.545 1.028 -5.630 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 10.629 0.733 -3.960 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 9.248 1.464 -4.625 1.00 2.82 H new ATOM 667 N GLU A 36 8.835 7.676 -1.696 1.00 0.51 N ATOM 668 CA GLU A 36 8.726 8.339 -0.403 1.00 0.50 C ATOM 669 C GLU A 36 7.303 8.259 0.149 1.00 0.44 C ATOM 670 O GLU A 36 7.061 8.296 1.354 1.00 0.45 O ATOM 671 CB GLU A 36 9.190 9.787 -0.522 1.00 0.53 C ATOM 672 CG GLU A 36 10.575 9.893 -1.127 1.00 0.61 C ATOM 673 CD GLU A 36 11.132 11.299 -1.124 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.189 11.916 -0.046 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.553 11.778 -2.200 1.00 0.66 O ATOM 0 H GLU A 36 8.654 8.283 -2.496 1.00 0.51 H new ATOM 0 HA GLU A 36 9.373 7.821 0.305 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.483 10.345 -1.136 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.189 10.250 0.465 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.254 9.241 -0.576 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.543 9.526 -2.153 1.00 0.61 H new ATOM 682 N LEU A 37 6.384 8.099 -0.798 1.00 0.39 N ATOM 683 CA LEU A 37 4.999 7.840 -0.483 1.00 0.36 C ATOM 684 C LEU A 37 4.845 6.457 0.131 1.00 0.36 C ATOM 685 O LEU A 37 4.203 6.299 1.170 1.00 0.35 O ATOM 686 CB LEU A 37 4.179 7.947 -1.760 1.00 0.37 C ATOM 687 CG LEU A 37 3.992 9.360 -2.325 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.026 10.146 -1.466 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.294 10.134 -2.451 1.00 1.01 C ATOM 0 H LEU A 37 6.585 8.146 -1.797 1.00 0.39 H new ATOM 0 HA LEU A 37 4.645 8.572 0.243 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.653 7.332 -2.525 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.194 7.519 -1.572 1.00 0.37 H new ATOM 0 HG LEU A 37 3.591 9.234 -3.331 1.00 0.41 H new ATOM 0 HD11 LEU A 37 2.903 11.147 -1.879 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.061 9.640 -1.448 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.417 10.218 -0.451 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.090 11.125 -2.857 1.00 1.01 H new ATOM 0 HD22 LEU A 37 5.756 10.232 -1.468 1.00 1.01 H new ATOM 0 HD23 LEU A 37 5.971 9.601 -3.118 1.00 1.01 H new ATOM 701 N GLU A 38 5.484 5.468 -0.488 1.00 0.39 N ATOM 702 CA GLU A 38 5.484 4.104 0.041 1.00 0.43 C ATOM 703 C GLU A 38 6.198 4.052 1.377 1.00 0.43 C ATOM 704 O GLU A 38 6.028 3.121 2.143 1.00 0.45 O ATOM 705 CB GLU A 38 6.136 3.115 -0.922 1.00 0.57 C ATOM 706 CG GLU A 38 5.159 2.471 -1.885 1.00 1.35 C ATOM 707 CD GLU A 38 4.536 3.469 -2.827 1.00 2.06 C ATOM 708 OE1 GLU A 38 5.270 4.129 -3.586 1.00 2.72 O ATOM 709 OE2 GLU A 38 3.303 3.615 -2.799 1.00 2.49 O ATOM 0 H GLU A 38 6.008 5.584 -1.355 1.00 0.39 H new ATOM 0 HA GLU A 38 4.441 3.814 0.170 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.908 3.632 -1.492 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.633 2.335 -0.346 1.00 0.57 H new ATOM 0 HG2 GLU A 38 5.675 1.704 -2.462 1.00 1.35 H new ATOM 0 HG3 GLU A 38 4.373 1.970 -1.320 1.00 1.35 H new ATOM 716 N ALA A 39 6.948 5.087 1.676 1.00 0.43 N ATOM 717 CA ALA A 39 7.757 5.101 2.876 1.00 0.45 C ATOM 718 C ALA A 39 7.007 5.631 4.077 1.00 0.42 C ATOM 719 O ALA A 39 7.090 5.073 5.172 1.00 0.44 O ATOM 720 CB ALA A 39 9.029 5.901 2.651 1.00 0.49 C ATOM 0 H ALA A 39 7.016 5.930 1.106 1.00 0.43 H new ATOM 0 HA ALA A 39 8.017 4.065 3.094 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.625 5.901 3.564 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.604 5.450 1.842 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.772 6.926 2.386 1.00 0.49 H new ATOM 726 N LYS A 40 6.255 6.702 3.860 1.00 0.39 N ATOM 727 CA LYS A 40 5.434 7.274 4.903 1.00 0.37 C ATOM 728 C LYS A 40 4.308 6.307 5.245 1.00 0.31 C ATOM 729 O LYS A 40 4.017 6.072 6.414 1.00 0.31 O ATOM 730 CB LYS A 40 4.870 8.616 4.440 1.00 0.41 C ATOM 731 CG LYS A 40 4.460 9.534 5.579 1.00 0.79 C ATOM 732 CD LYS A 40 5.662 10.031 6.368 1.00 0.64 C ATOM 733 CE LYS A 40 6.509 10.993 5.552 1.00 0.74 C ATOM 734 NZ LYS A 40 7.729 11.418 6.285 1.00 1.34 N ATOM 0 H LYS A 40 6.201 7.189 2.965 1.00 0.39 H new ATOM 0 HA LYS A 40 6.037 7.444 5.795 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.617 9.122 3.829 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.005 8.435 3.802 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.911 10.386 5.179 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.782 9.003 6.247 1.00 0.79 H new ATOM 0 HD2 LYS A 40 5.321 10.527 7.277 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.271 9.182 6.677 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.796 10.517 4.614 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.916 11.871 5.295 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 8.279 12.073 5.694 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 7.455 11.895 7.168 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 8.309 10.584 6.508 1.00 1.34 H new ATOM 748 N ILE A 41 3.704 5.724 4.208 1.00 0.29 N ATOM 749 CA ILE A 41 2.629 4.763 4.379 1.00 0.26 C ATOM 750 C ILE A 41 3.100 3.522 5.121 1.00 0.27 C ATOM 751 O ILE A 41 2.462 3.084 6.070 1.00 0.27 O ATOM 752 CB ILE A 41 2.052 4.349 3.019 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.429 5.557 2.335 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.023 3.240 3.186 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.996 5.287 0.920 1.00 0.39 C ATOM 0 H ILE A 41 3.949 5.907 3.235 1.00 0.29 H new ATOM 0 HA ILE A 41 1.855 5.250 4.972 1.00 0.26 H new ATOM 0 HB ILE A 41 2.861 3.967 2.396 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.567 5.888 2.914 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.148 6.377 2.337 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.626 2.962 2.210 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.495 2.372 3.647 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.210 3.591 3.821 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.561 6.191 0.494 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.859 4.985 0.327 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.254 4.489 0.913 1.00 0.39 H new ATOM 767 N LEU A 42 4.219 2.956 4.687 1.00 0.31 N ATOM 768 CA LEU A 42 4.764 1.762 5.326 1.00 0.35 C ATOM 769 C LEU A 42 5.154 2.035 6.770 1.00 0.35 C ATOM 770 O LEU A 42 5.046 1.164 7.635 1.00 0.38 O ATOM 771 CB LEU A 42 5.986 1.248 4.564 1.00 0.39 C ATOM 772 CG LEU A 42 5.699 0.599 3.209 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.966 -0.001 2.636 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.607 -0.458 3.321 1.00 0.40 C ATOM 0 H LEU A 42 4.766 3.302 3.899 1.00 0.31 H new ATOM 0 HA LEU A 42 3.981 1.003 5.310 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.671 2.081 4.409 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.503 0.522 5.191 1.00 0.39 H new ATOM 0 HG LEU A 42 5.341 1.374 2.532 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.748 -0.460 1.672 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.712 0.782 2.505 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.351 -0.758 3.319 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.427 -0.900 2.341 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.923 -1.235 4.017 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.689 0.004 3.685 1.00 0.40 H new ATOM 786 N HIS A 43 5.597 3.260 7.020 1.00 0.35 N ATOM 787 CA HIS A 43 5.870 3.708 8.375 1.00 0.37 C ATOM 788 C HIS A 43 4.567 3.779 9.180 1.00 0.35 C ATOM 789 O HIS A 43 4.496 3.247 10.285 1.00 0.40 O ATOM 790 CB HIS A 43 6.565 5.071 8.352 1.00 0.40 C ATOM 791 CG HIS A 43 7.084 5.510 9.688 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.836 6.754 10.220 1.00 1.17 N ATOM 793 CD2 HIS A 43 7.860 4.864 10.589 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.435 6.858 11.390 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.063 5.726 11.638 1.00 0.92 N ATOM 0 H HIS A 43 5.774 3.960 6.300 1.00 0.35 H new ATOM 0 HA HIS A 43 6.535 2.991 8.857 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.394 5.033 7.645 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.864 5.819 7.982 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.247 3.860 10.500 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.415 7.724 12.035 1.00 0.93 H new ATOM 0 HE2 HIS A 43 8.611 5.523 12.474 1.00 0.92 H new ATOM 804 N TYR A 44 3.539 4.426 8.616 1.00 0.30 N ATOM 805 CA TYR A 44 2.211 4.465 9.238 1.00 0.30 C ATOM 806 C TYR A 44 1.722 3.054 9.536 1.00 0.32 C ATOM 807 O TYR A 44 1.276 2.747 10.643 1.00 0.40 O ATOM 808 CB TYR A 44 1.194 5.128 8.307 1.00 0.31 C ATOM 809 CG TYR A 44 1.422 6.595 8.064 1.00 0.35 C ATOM 810 CD1 TYR A 44 1.919 7.414 9.059 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.121 7.163 6.833 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.112 8.758 8.845 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.304 8.508 6.607 1.00 0.50 C ATOM 814 CZ TYR A 44 1.800 9.305 7.618 1.00 0.58 C ATOM 815 OH TYR A 44 1.968 10.655 7.401 1.00 0.68 O ATOM 0 H TYR A 44 3.602 4.929 7.731 1.00 0.30 H new ATOM 0 HA TYR A 44 2.300 5.038 10.161 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.208 4.609 7.349 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.197 4.995 8.727 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.160 6.991 10.023 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.737 6.539 6.040 1.00 0.40 H new ATOM 0 HE1 TYR A 44 2.506 9.382 9.633 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.061 8.936 5.646 1.00 0.50 H new ATOM 0 HH TYR A 44 2.892 10.908 7.610 1.00 0.68 H new ATOM 825 N TYR A 45 1.821 2.219 8.510 1.00 0.30 N ATOM 826 CA TYR A 45 1.370 0.841 8.531 1.00 0.33 C ATOM 827 C TYR A 45 1.957 0.072 9.713 1.00 0.40 C ATOM 828 O TYR A 45 1.235 -0.603 10.448 1.00 0.42 O ATOM 829 CB TYR A 45 1.776 0.186 7.206 1.00 0.35 C ATOM 830 CG TYR A 45 1.439 -1.269 7.093 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.117 -1.675 7.071 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.430 -2.230 7.015 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.213 -3.005 6.973 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.112 -3.565 6.917 1.00 0.54 C ATOM 835 CZ TYR A 45 0.843 -3.960 6.871 1.00 0.53 C ATOM 836 OH TYR A 45 0.462 -5.280 6.788 1.00 0.58 O ATOM 0 H TYR A 45 2.229 2.493 7.617 1.00 0.30 H new ATOM 0 HA TYR A 45 0.287 0.819 8.650 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.291 0.721 6.389 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.851 0.307 7.072 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.668 -0.935 7.132 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.467 -1.929 7.031 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.246 -3.320 6.973 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.902 -4.300 6.877 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.492 -5.359 6.998 1.00 0.58 H new ATOM 846 N ASP A 46 3.257 0.188 9.906 1.00 0.43 N ATOM 847 CA ASP A 46 3.932 -0.570 10.951 1.00 0.51 C ATOM 848 C ASP A 46 3.560 -0.054 12.341 1.00 0.53 C ATOM 849 O ASP A 46 3.586 -0.811 13.314 1.00 0.60 O ATOM 850 CB ASP A 46 5.449 -0.539 10.740 1.00 0.58 C ATOM 851 CG ASP A 46 6.211 -1.343 11.776 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.338 -2.573 11.603 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.709 -0.744 12.753 1.00 1.14 O ATOM 0 H ASP A 46 3.867 0.795 9.358 1.00 0.43 H new ATOM 0 HA ASP A 46 3.598 -1.605 10.887 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.680 -0.926 9.747 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.792 0.495 10.767 1.00 0.58 H new ATOM 858 N GLU A 47 3.156 1.206 12.434 1.00 0.49 N ATOM 859 CA GLU A 47 2.837 1.811 13.719 1.00 0.51 C ATOM 860 C GLU A 47 1.367 1.592 14.082 1.00 0.49 C ATOM 861 O GLU A 47 0.883 2.125 15.082 1.00 0.58 O ATOM 862 CB GLU A 47 3.122 3.312 13.672 1.00 0.53 C ATOM 863 CG GLU A 47 4.571 3.665 13.382 1.00 1.21 C ATOM 864 CD GLU A 47 4.791 5.160 13.323 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.392 5.786 12.320 1.00 2.22 O ATOM 866 OE2 GLU A 47 5.363 5.722 14.281 1.00 2.21 O ATOM 0 H GLU A 47 3.042 1.829 11.634 1.00 0.49 H new ATOM 0 HA GLU A 47 3.460 1.336 14.477 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.490 3.766 12.909 1.00 0.53 H new ATOM 0 HB3 GLU A 47 2.837 3.754 14.627 1.00 0.53 H new ATOM 0 HG2 GLU A 47 5.210 3.235 14.153 1.00 1.21 H new ATOM 0 HG3 GLU A 47 4.870 3.217 12.434 1.00 1.21 H new ATOM 873 N LEU A 48 0.656 0.821 13.262 1.00 0.44 N ATOM 874 CA LEU A 48 -0.769 0.611 13.434 1.00 0.46 C ATOM 875 C LEU A 48 -1.099 -0.240 14.663 1.00 0.69 C ATOM 876 O LEU A 48 -0.245 -0.515 15.505 1.00 1.11 O ATOM 877 CB LEU A 48 -1.333 -0.009 12.154 1.00 0.37 C ATOM 878 CG LEU A 48 -1.457 0.953 10.982 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.984 0.221 9.767 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.372 2.108 11.343 1.00 0.47 C ATOM 0 H LEU A 48 1.056 0.328 12.463 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.240 1.577 13.614 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.694 -0.841 11.857 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.317 -0.425 12.371 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.471 1.355 10.749 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.070 0.916 8.932 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.298 -0.583 9.500 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.964 -0.199 9.992 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.451 2.788 10.495 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.361 1.724 11.594 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.962 2.643 12.200 1.00 0.47 H new ATOM 892 N GLU A 49 -2.344 -0.675 14.715 1.00 0.61 N ATOM 893 CA GLU A 49 -2.944 -1.252 15.914 1.00 0.86 C ATOM 894 C GLU A 49 -4.068 -2.202 15.526 1.00 0.61 C ATOM 895 O GLU A 49 -4.800 -1.905 14.594 1.00 1.16 O ATOM 896 CB GLU A 49 -3.531 -0.142 16.790 1.00 1.42 C ATOM 897 CG GLU A 49 -2.509 0.827 17.352 1.00 1.33 C ATOM 898 CD GLU A 49 -1.728 0.245 18.510 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.349 -0.340 19.422 1.00 2.19 O ATOM 900 OE2 GLU A 49 -0.483 0.358 18.509 1.00 2.83 O ATOM 0 H GLU A 49 -2.979 -0.639 13.918 1.00 0.61 H new ATOM 0 HA GLU A 49 -2.171 -1.791 16.462 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.259 0.418 16.204 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.072 -0.599 17.618 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -1.817 1.118 16.562 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -3.016 1.734 17.681 1.00 1.33 H new ATOM 907 N GLY A 50 -4.155 -3.341 16.217 1.00 0.74 N ATOM 908 CA GLY A 50 -5.303 -4.257 16.125 1.00 0.61 C ATOM 909 C GLY A 50 -6.050 -4.254 14.796 1.00 0.54 C ATOM 910 O GLY A 50 -5.548 -4.749 13.784 1.00 0.54 O ATOM 0 H GLY A 50 -3.430 -3.659 16.860 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.952 -5.270 16.320 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -6.008 -4.006 16.917 1.00 0.61 H new ATOM 914 N ASP A 51 -7.261 -3.691 14.809 1.00 0.54 N ATOM 915 CA ASP A 51 -8.129 -3.680 13.628 1.00 0.52 C ATOM 916 C ASP A 51 -7.628 -2.682 12.598 1.00 0.46 C ATOM 917 O ASP A 51 -7.869 -2.863 11.411 1.00 0.46 O ATOM 918 CB ASP A 51 -9.583 -3.361 14.002 1.00 0.58 C ATOM 919 CG ASP A 51 -9.798 -1.912 14.405 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.566 -1.578 15.584 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.218 -1.106 13.547 1.00 2.37 O ATOM 0 H ASP A 51 -7.664 -3.235 15.628 1.00 0.54 H new ATOM 0 HA ASP A 51 -8.099 -4.680 13.195 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -10.228 -3.594 13.155 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.889 -4.008 14.824 1.00 0.58 H new ATOM 926 N ALA A 52 -6.926 -1.642 13.034 1.00 0.43 N ATOM 927 CA ALA A 52 -6.394 -0.660 12.099 1.00 0.41 C ATOM 928 C ALA A 52 -5.403 -1.351 11.180 1.00 0.40 C ATOM 929 O ALA A 52 -5.411 -1.165 9.967 1.00 0.40 O ATOM 930 CB ALA A 52 -5.748 0.507 12.830 1.00 0.42 C ATOM 0 H ALA A 52 -6.715 -1.459 14.015 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.210 -0.245 11.507 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.361 1.222 12.104 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.490 0.996 13.461 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.930 0.140 13.450 1.00 0.42 H new ATOM 936 N LYS A 53 -4.550 -2.159 11.800 1.00 0.40 N ATOM 937 CA LYS A 53 -3.537 -2.931 11.100 1.00 0.41 C ATOM 938 C LYS A 53 -4.195 -3.915 10.143 1.00 0.41 C ATOM 939 O LYS A 53 -3.924 -3.905 8.945 1.00 0.40 O ATOM 940 CB LYS A 53 -2.680 -3.685 12.111 1.00 0.47 C ATOM 941 CG LYS A 53 -1.468 -4.363 11.503 1.00 0.52 C ATOM 942 CD LYS A 53 -0.432 -3.361 11.020 1.00 0.94 C ATOM 943 CE LYS A 53 0.830 -4.047 10.516 1.00 0.83 C ATOM 944 NZ LYS A 53 1.452 -4.909 11.557 1.00 1.62 N ATOM 0 H LYS A 53 -4.544 -2.296 12.811 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.906 -2.253 10.526 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.347 -2.989 12.881 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -3.295 -4.437 12.605 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -1.015 -5.024 12.242 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -1.784 -4.988 10.668 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.859 -2.754 10.221 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.176 -2.683 11.834 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.589 -4.652 9.642 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.548 -3.293 10.194 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.434 -5.123 11.289 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.443 -4.412 12.470 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 0.915 -5.795 11.640 1.00 1.62 H new ATOM 958 N LYS A 54 -5.047 -4.770 10.700 1.00 0.44 N ATOM 959 CA LYS A 54 -5.781 -5.761 9.919 1.00 0.47 C ATOM 960 C LYS A 54 -6.537 -5.112 8.754 1.00 0.44 C ATOM 961 O LYS A 54 -6.471 -5.594 7.623 1.00 0.46 O ATOM 962 CB LYS A 54 -6.736 -6.540 10.825 1.00 0.52 C ATOM 963 CG LYS A 54 -8.204 -6.377 10.481 1.00 0.99 C ATOM 964 CD LYS A 54 -9.029 -7.439 11.163 1.00 0.97 C ATOM 965 CE LYS A 54 -10.506 -7.308 10.826 1.00 1.74 C ATOM 966 NZ LYS A 54 -11.331 -8.303 11.561 1.00 2.49 N ATOM 0 H LYS A 54 -5.248 -4.796 11.700 1.00 0.44 H new ATOM 0 HA LYS A 54 -5.060 -6.456 9.488 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.480 -7.598 10.777 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.580 -6.221 11.856 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.548 -5.389 10.788 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -8.340 -6.441 9.401 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.673 -8.425 10.863 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.894 -7.367 12.242 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.847 -6.302 11.071 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.647 -7.440 9.753 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -12.332 -8.182 11.305 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -11.023 -9.264 11.309 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -11.216 -8.161 12.585 1.00 2.49 H new ATOM 980 N GLU A 55 -7.218 -4.001 9.026 1.00 0.42 N ATOM 981 CA GLU A 55 -7.959 -3.303 7.998 1.00 0.41 C ATOM 982 C GLU A 55 -7.017 -2.709 6.986 1.00 0.39 C ATOM 983 O GLU A 55 -7.214 -2.894 5.791 1.00 0.41 O ATOM 984 CB GLU A 55 -8.830 -2.199 8.591 1.00 0.42 C ATOM 985 CG GLU A 55 -10.243 -2.634 8.908 1.00 0.89 C ATOM 986 CD GLU A 55 -11.226 -1.491 8.757 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.568 -1.141 7.603 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.652 -0.925 9.784 1.00 2.27 O ATOM 0 H GLU A 55 -7.267 -3.572 9.950 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.608 -4.030 7.510 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.361 -1.831 9.503 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.866 -1.364 7.892 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.530 -3.451 8.246 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.286 -3.019 9.927 1.00 0.89 H new ATOM 995 N ALA A 56 -5.989 -2.015 7.442 1.00 0.36 N ATOM 996 CA ALA A 56 -5.077 -1.378 6.520 1.00 0.34 C ATOM 997 C ALA A 56 -4.461 -2.421 5.614 1.00 0.36 C ATOM 998 O ALA A 56 -4.525 -2.302 4.398 1.00 0.37 O ATOM 999 CB ALA A 56 -4.002 -0.594 7.252 1.00 0.31 C ATOM 0 H ALA A 56 -5.770 -1.882 8.429 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.638 -0.666 5.915 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.334 -0.128 6.527 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.468 0.178 7.864 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.431 -1.268 7.891 1.00 0.31 H new ATOM 1005 N THR A 57 -3.896 -3.456 6.212 1.00 0.38 N ATOM 1006 CA THR A 57 -3.295 -4.541 5.464 1.00 0.41 C ATOM 1007 C THR A 57 -4.209 -5.065 4.360 1.00 0.44 C ATOM 1008 O THR A 57 -3.812 -5.196 3.207 1.00 0.45 O ATOM 1009 CB THR A 57 -2.951 -5.725 6.386 1.00 0.45 C ATOM 1010 OG1 THR A 57 -2.132 -5.291 7.475 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.239 -6.812 5.605 1.00 0.51 C ATOM 0 H THR A 57 -3.842 -3.566 7.225 1.00 0.38 H new ATOM 0 HA THR A 57 -2.392 -4.126 5.016 1.00 0.41 H new ATOM 0 HB THR A 57 -3.881 -6.129 6.786 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.684 -4.817 8.131 1.00 0.43 H new ATOM 0 HG21 THR A 57 -2.002 -7.642 6.270 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.885 -7.164 4.800 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.318 -6.412 5.182 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.460 -5.319 4.744 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.477 -5.813 3.828 1.00 0.49 C ATOM 1021 C GLU A 58 -6.892 -4.741 2.814 1.00 0.48 C ATOM 1022 O GLU A 58 -7.390 -5.064 1.734 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.678 -6.325 4.624 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.408 -7.657 5.304 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.576 -8.146 6.132 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.565 -8.629 5.544 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.504 -8.063 7.375 1.00 1.71 O ATOM 0 H GLU A 58 -5.792 -5.187 5.699 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.058 -6.640 3.254 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.951 -5.586 5.377 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.533 -6.430 3.956 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.169 -8.403 4.546 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.531 -7.561 5.944 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.693 -3.475 3.150 1.00 0.43 N ATOM 1035 CA HIS A 59 -7.016 -2.394 2.230 1.00 0.43 C ATOM 1036 C HIS A 59 -5.901 -2.244 1.205 1.00 0.42 C ATOM 1037 O HIS A 59 -6.152 -2.166 -0.001 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.249 -1.074 2.978 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.546 -1.024 3.734 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.723 -1.544 3.246 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.840 -0.526 4.961 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.682 -1.371 4.136 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.176 -0.758 5.188 1.00 0.57 N ATOM 0 H HIS A 59 -6.312 -3.172 4.046 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.944 -2.644 1.715 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.427 -0.913 3.675 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.225 -0.253 2.262 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.152 -0.038 5.635 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.710 -1.680 4.022 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.690 -0.499 6.030 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.666 -2.201 1.697 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.490 -2.224 0.857 1.00 0.40 C ATOM 1054 C LEU A 60 -3.439 -3.480 -0.012 1.00 0.43 C ATOM 1055 O LEU A 60 -2.942 -3.433 -1.138 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.238 -2.139 1.718 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.919 -0.743 2.238 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.983 -0.234 3.171 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.552 -0.701 2.900 1.00 0.59 C ATOM 0 H LEU A 60 -4.460 -2.149 2.695 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.539 -1.362 0.192 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.351 -2.812 2.568 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.389 -2.499 1.137 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.898 -0.078 1.374 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.716 0.764 3.518 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.937 -0.192 2.646 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -3.068 -0.905 4.026 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.353 0.308 3.261 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.532 -1.397 3.739 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.212 -0.984 2.176 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.949 -4.598 0.510 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.997 -5.836 -0.260 1.00 0.50 C ATOM 1073 C LYS A 61 -4.845 -5.652 -1.503 1.00 0.53 C ATOM 1074 O LYS A 61 -4.390 -5.923 -2.606 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.543 -6.997 0.574 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.501 -7.669 1.455 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.098 -8.834 2.222 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.039 -9.589 3.006 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.619 -10.716 3.782 1.00 0.67 N ATOM 0 H LYS A 61 -4.330 -4.669 1.453 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.976 -6.080 -0.552 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.353 -6.629 1.203 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.972 -7.742 -0.096 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.674 -8.022 0.839 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.090 -6.942 2.155 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.864 -8.466 2.905 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.590 -9.514 1.527 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.284 -9.972 2.320 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.533 -8.903 3.686 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -2.863 -11.205 4.302 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.321 -10.349 4.456 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.080 -11.384 3.132 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.075 -5.182 -1.317 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.937 -4.893 -2.447 1.00 0.56 C ATOM 1095 C GLY A 62 -6.295 -3.915 -3.409 1.00 0.55 C ATOM 1096 O GLY A 62 -6.416 -4.057 -4.625 1.00 0.59 O ATOM 0 H GLY A 62 -6.489 -4.996 -0.404 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.170 -5.819 -2.972 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.881 -4.483 -2.088 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.608 -2.921 -2.856 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.885 -1.961 -3.669 1.00 0.49 C ATOM 1102 C GLY A 63 -3.837 -2.614 -4.540 1.00 0.49 C ATOM 1103 O GLY A 63 -3.828 -2.443 -5.761 1.00 0.50 O ATOM 0 H GLY A 63 -5.539 -2.763 -1.851 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.590 -1.419 -4.299 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.408 -1.227 -3.020 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.958 -3.372 -3.912 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.892 -4.046 -4.627 1.00 0.55 C ATOM 1109 C CYS A 64 -2.449 -5.177 -5.488 1.00 0.56 C ATOM 1110 O CYS A 64 -1.841 -5.568 -6.484 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.842 -4.563 -3.647 1.00 0.68 C ATOM 1112 SG CYS A 64 0.498 -5.510 -4.434 1.00 1.13 S ATOM 0 H CYS A 64 -2.962 -3.536 -2.905 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.411 -3.329 -5.293 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.410 -3.717 -3.112 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.331 -5.193 -2.904 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.611 -5.694 -5.108 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.314 -6.668 -5.927 1.00 0.67 C ATOM 1119 C ARG A 65 -4.666 -6.046 -7.271 1.00 0.65 C ATOM 1120 O ARG A 65 -4.466 -6.659 -8.313 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.585 -7.161 -5.231 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.357 -8.189 -6.040 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.650 -8.592 -5.351 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.427 -9.529 -6.163 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.663 -9.931 -5.869 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -10.268 -9.496 -4.767 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -10.297 -10.773 -6.680 1.00 3.80 N ATOM 0 H ARG A 65 -4.085 -5.454 -4.237 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.659 -7.525 -6.080 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.318 -7.595 -4.267 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.233 -6.308 -5.028 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.582 -7.782 -7.026 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -5.736 -9.072 -6.194 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -7.422 -9.048 -4.387 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -8.247 -7.703 -5.150 1.00 1.49 H new ATOM 0 HE ARG A 65 -7.994 -9.899 -7.009 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.786 -8.851 -4.141 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -11.214 -9.808 -4.548 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.837 -11.110 -7.526 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -11.243 -11.082 -6.456 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.173 -4.815 -7.237 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.476 -4.081 -8.459 1.00 0.55 C ATOM 1143 C GLU A 66 -4.194 -3.770 -9.224 1.00 0.48 C ATOM 1144 O GLU A 66 -4.209 -3.611 -10.444 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.232 -2.786 -8.152 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.595 -3.005 -7.512 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.432 -1.742 -7.478 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.262 -0.929 -6.546 1.00 2.02 O ATOM 1149 OE2 GLU A 66 -9.264 -1.555 -8.391 1.00 1.61 O ATOM 0 H GLU A 66 -5.381 -4.308 -6.377 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.115 -4.710 -9.078 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.624 -2.171 -7.488 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.362 -2.225 -9.077 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -8.131 -3.777 -8.063 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.460 -3.375 -6.495 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.086 -3.680 -8.498 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.787 -3.496 -9.128 1.00 0.47 C ATOM 1158 C ILE A 67 -1.359 -4.762 -9.866 1.00 0.45 C ATOM 1159 O ILE A 67 -1.004 -4.693 -11.028 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.704 -3.076 -8.114 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.096 -1.740 -7.481 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.658 -2.976 -8.796 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.114 -1.238 -6.450 1.00 0.81 C ATOM 0 H ILE A 67 -3.062 -3.731 -7.480 1.00 0.47 H new ATOM 0 HA ILE A 67 -1.894 -2.685 -9.848 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.629 -3.831 -7.332 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.195 -0.992 -8.268 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.076 -1.844 -7.014 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.410 -2.678 -8.065 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.926 -3.945 -9.218 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.612 -2.233 -9.592 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.463 -0.287 -6.048 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -0.031 -1.965 -5.642 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.862 -1.100 -6.915 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.412 -5.915 -9.205 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.124 -7.193 -9.871 1.00 0.80 C ATOM 1177 C LEU A 68 -2.127 -7.427 -10.998 1.00 0.82 C ATOM 1178 O LEU A 68 -1.806 -7.993 -12.046 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.183 -8.341 -8.862 1.00 1.12 C ATOM 1180 CG LEU A 68 0.134 -9.087 -8.645 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.530 -9.842 -9.903 1.00 1.58 C ATOM 1182 CD2 LEU A 68 1.235 -8.116 -8.238 1.00 1.71 C ATOM 0 H LEU A 68 -1.649 -5.997 -8.216 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.120 -7.154 -10.293 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.519 -7.944 -7.904 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -1.936 -9.056 -9.193 1.00 1.12 H new ATOM 0 HG LEU A 68 -0.006 -9.808 -7.839 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.469 -10.367 -9.731 1.00 1.58 H new ATOM 0 HD12 LEU A 68 -0.248 -10.563 -10.155 1.00 1.58 H new ATOM 0 HD13 LEU A 68 0.653 -9.138 -10.726 1.00 1.58 H new ATOM 0 HD21 LEU A 68 2.166 -8.663 -8.088 1.00 1.71 H new ATOM 0 HD22 LEU A 68 1.374 -7.373 -9.024 1.00 1.71 H new ATOM 0 HD23 LEU A 68 0.954 -7.616 -7.311 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.313 -6.892 -10.762 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.380 -6.912 -11.753 1.00 1.24 C ATOM 1196 C LYS A 69 -3.991 -6.061 -12.958 1.00 1.20 C ATOM 1197 O LYS A 69 -4.583 -6.156 -14.030 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.680 -6.410 -11.131 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.918 -6.715 -11.949 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.174 -6.252 -11.230 1.00 1.50 C ATOM 1201 CE LYS A 69 -9.421 -6.495 -12.059 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.404 -5.726 -13.329 1.00 2.22 N ATOM 0 H LYS A 69 -3.564 -6.434 -9.886 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.534 -7.936 -12.092 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.792 -6.855 -10.143 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -5.609 -5.332 -10.989 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.848 -6.223 -12.919 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -6.978 -7.787 -12.139 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.262 -6.777 -10.279 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.091 -5.189 -11.002 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.507 -7.559 -12.281 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -10.301 -6.218 -11.479 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.266 -5.934 -13.872 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -9.365 -4.708 -13.118 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -8.569 -5.996 -13.887 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.968 -5.250 -12.764 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.464 -4.361 -13.790 1.00 1.16 C ATOM 1218 C HIS A 70 -1.202 -4.940 -14.412 1.00 0.91 C ATOM 1219 O HIS A 70 -1.115 -5.146 -15.622 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.188 -2.980 -13.196 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.794 -1.959 -14.210 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.700 -1.113 -14.803 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.583 -1.641 -14.725 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -2.069 -0.316 -15.638 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.786 -0.611 -15.609 1.00 1.74 N ATOM 0 H HIS A 70 -2.460 -5.190 -11.881 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.216 -4.258 -14.572 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -3.080 -2.634 -12.673 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.395 -3.066 -12.453 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.361 -2.108 -14.486 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -2.526 0.451 -16.245 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -0.060 -0.148 -16.156 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.213 -5.164 -13.537 1.00 0.76 N ATOM 1235 CA VAL A 71 1.115 -5.589 -13.922 1.00 0.69 C ATOM 1236 C VAL A 71 1.061 -6.850 -14.764 1.00 0.52 C ATOM 1237 O VAL A 71 1.503 -6.857 -15.912 1.00 0.59 O ATOM 1238 CB VAL A 71 2.003 -5.854 -12.686 1.00 0.81 C ATOM 1239 CG1 VAL A 71 3.448 -5.848 -13.073 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.794 -4.821 -11.601 1.00 1.46 C ATOM 0 H VAL A 71 -0.327 -5.050 -12.530 1.00 0.76 H new ATOM 0 HA VAL A 71 1.548 -4.778 -14.507 1.00 0.69 H new ATOM 0 HB VAL A 71 1.715 -6.831 -12.297 1.00 0.81 H new ATOM 0 HG11 VAL A 71 4.061 -6.036 -12.192 1.00 1.01 H new ATOM 0 HG12 VAL A 71 3.629 -6.626 -13.814 1.00 1.01 H new ATOM 0 HG13 VAL A 71 3.708 -4.877 -13.495 1.00 1.01 H new ATOM 0 HG21 VAL A 71 2.439 -5.049 -10.753 1.00 1.46 H new ATOM 0 HG22 VAL A 71 2.039 -3.832 -11.988 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.753 -4.837 -11.279 1.00 1.46 H new ATOM 1250 N VAL A 72 0.516 -7.917 -14.202 1.00 0.44 N ATOM 1251 CA VAL A 72 0.458 -9.158 -14.922 1.00 0.46 C ATOM 1252 C VAL A 72 -0.778 -9.209 -15.824 1.00 0.47 C ATOM 1253 O VAL A 72 -0.694 -9.641 -16.976 1.00 0.64 O ATOM 1254 CB VAL A 72 0.508 -10.378 -13.984 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.806 -10.609 -13.257 1.00 0.74 C ATOM 1256 CG2 VAL A 72 0.934 -11.582 -14.784 1.00 0.80 C ATOM 0 H VAL A 72 0.116 -7.940 -13.264 1.00 0.44 H new ATOM 0 HA VAL A 72 1.346 -9.205 -15.552 1.00 0.46 H new ATOM 0 HB VAL A 72 1.239 -10.189 -13.197 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.715 -11.481 -12.609 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.047 -9.733 -12.655 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.600 -10.779 -13.985 1.00 0.74 H new ATOM 0 HG21 VAL A 72 0.974 -12.456 -14.133 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.216 -11.759 -15.585 1.00 0.80 H new ATOM 0 HG23 VAL A 72 1.920 -11.403 -15.213 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.913 -8.743 -15.312 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.131 -8.740 -16.092 1.00 0.48 C ATOM 1268 C GLY A 73 -4.248 -9.518 -15.427 1.00 0.50 C ATOM 1269 O GLY A 73 -4.058 -10.097 -14.355 1.00 0.55 O ATOM 0 H GLY A 73 -2.008 -8.367 -14.368 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.454 -7.711 -16.251 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.930 -9.167 -17.075 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.407 -9.534 -16.074 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.593 -10.210 -15.547 1.00 0.58 C ATOM 1275 C GLU A 74 -6.342 -11.705 -15.376 1.00 0.53 C ATOM 1276 O GLU A 74 -6.642 -12.273 -14.329 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.780 -10.007 -16.493 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.079 -8.553 -16.819 1.00 1.45 C ATOM 1279 CD GLU A 74 -8.471 -7.743 -15.602 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.216 -8.270 -14.748 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -8.018 -6.589 -15.479 1.00 2.10 O ATOM 0 H GLU A 74 -5.554 -9.081 -16.976 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.818 -9.776 -14.573 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.585 -10.543 -17.422 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.667 -10.457 -16.046 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -7.201 -8.102 -17.281 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -8.884 -8.509 -17.553 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.794 -12.315 -16.424 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.481 -13.745 -16.459 1.00 0.55 C ATOM 1290 C GLU A 75 -4.819 -14.232 -15.178 1.00 0.53 C ATOM 1291 O GLU A 75 -5.383 -15.043 -14.449 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.559 -14.028 -17.646 1.00 0.58 C ATOM 1293 CG GLU A 75 -4.179 -15.490 -17.786 1.00 0.95 C ATOM 1294 CD GLU A 75 -3.293 -15.742 -18.982 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.830 -16.006 -20.078 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -2.055 -15.678 -18.836 1.00 2.00 O ATOM 0 H GLU A 75 -5.551 -11.825 -17.285 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.423 -14.284 -16.561 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -5.049 -13.700 -18.562 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.651 -13.434 -17.540 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.666 -15.818 -16.882 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -5.084 -16.091 -17.875 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.641 -13.713 -14.892 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.828 -14.258 -13.821 1.00 0.51 C ATOM 1305 C LYS A 76 -3.373 -13.870 -12.456 1.00 0.55 C ATOM 1306 O LYS A 76 -3.404 -14.693 -11.546 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.383 -13.807 -13.977 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.462 -14.283 -12.865 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.551 -15.787 -12.661 1.00 1.43 C ATOM 1310 CE LYS A 76 -0.127 -16.532 -13.916 1.00 0.71 C ATOM 1311 NZ LYS A 76 -0.198 -18.004 -13.745 1.00 1.13 N ATOM 0 H LYS A 76 -3.227 -12.920 -15.382 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.864 -15.345 -13.888 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.001 -14.170 -14.931 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -1.355 -12.718 -14.016 1.00 0.47 H new ATOM 0 HG2 LYS A 76 0.566 -14.009 -13.103 1.00 1.16 H new ATOM 0 HG3 LYS A 76 -0.721 -13.775 -11.936 1.00 1.16 H new ATOM 0 HD2 LYS A 76 0.084 -16.083 -11.826 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -1.572 -16.062 -12.398 1.00 1.43 H new ATOM 0 HE2 LYS A 76 -0.766 -16.233 -14.747 1.00 0.71 H new ATOM 0 HE3 LYS A 76 0.892 -16.247 -14.179 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.585 -18.452 -14.263 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.125 -18.240 -12.735 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 -1.104 -18.353 -14.117 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.813 -12.625 -12.313 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.380 -12.161 -11.055 1.00 0.64 C ATOM 1327 C ALA A 77 -5.598 -13.002 -10.686 1.00 0.65 C ATOM 1328 O ALA A 77 -5.901 -13.201 -9.508 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.756 -10.688 -11.151 1.00 0.68 C ATOM 0 H ALA A 77 -3.788 -11.922 -13.051 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.630 -12.272 -10.272 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.178 -10.358 -10.202 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.867 -10.099 -11.377 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.492 -10.551 -11.943 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.277 -13.505 -11.709 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.402 -14.402 -11.524 1.00 0.67 C ATOM 1337 C ALA A 78 -6.913 -15.761 -11.036 1.00 0.67 C ATOM 1338 O ALA A 78 -7.475 -16.341 -10.103 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.165 -14.542 -12.831 1.00 0.66 C ATOM 0 H ALA A 78 -6.062 -13.302 -12.685 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.073 -13.990 -10.770 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -9.009 -15.216 -12.689 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.530 -13.564 -13.146 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.503 -14.946 -13.597 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.839 -16.248 -11.650 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.277 -17.547 -11.303 1.00 0.65 C ATOM 1347 C GLU A 79 -4.657 -17.527 -9.913 1.00 0.66 C ATOM 1348 O GLU A 79 -4.619 -18.550 -9.239 1.00 0.67 O ATOM 1349 CB GLU A 79 -4.219 -17.979 -12.317 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.676 -17.862 -13.756 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.812 -18.654 -14.712 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.598 -18.377 -14.789 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -4.341 -19.549 -15.400 1.00 1.26 O ATOM 0 H GLU A 79 -5.339 -15.760 -12.393 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.099 -18.263 -11.316 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.325 -17.371 -12.178 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.936 -19.013 -12.117 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.707 -18.207 -13.834 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.668 -16.813 -14.051 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.196 -16.358 -9.484 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.617 -16.199 -8.160 1.00 0.70 C ATOM 1362 C LEU A 80 -4.703 -16.146 -7.097 1.00 0.74 C ATOM 1363 O LEU A 80 -4.528 -16.662 -5.992 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.764 -14.937 -8.129 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.606 -14.945 -9.122 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.975 -13.573 -9.221 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.576 -15.987 -8.726 1.00 0.98 C ATOM 0 H LEU A 80 -4.213 -15.503 -10.040 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.986 -17.060 -7.941 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.400 -14.076 -8.335 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.365 -14.805 -7.123 1.00 0.71 H new ATOM 0 HG LEU A 80 -1.997 -15.207 -10.105 1.00 0.66 H new ATOM 0 HD11 LEU A 80 -0.152 -13.602 -9.935 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.721 -12.853 -9.557 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -0.597 -13.275 -8.243 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.244 -15.980 -9.445 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.190 -15.758 -7.733 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.041 -16.973 -8.716 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.828 -15.536 -7.439 1.00 0.74 N ATOM 1380 CA LYS A 81 -6.962 -15.474 -6.531 1.00 0.79 C ATOM 1381 C LYS A 81 -7.510 -16.882 -6.321 1.00 0.77 C ATOM 1382 O LYS A 81 -7.735 -17.315 -5.188 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.044 -14.547 -7.099 1.00 0.83 C ATOM 1384 CG LYS A 81 -8.939 -13.898 -6.047 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.834 -14.903 -5.338 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.720 -14.228 -4.307 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.589 -15.200 -3.593 1.00 2.12 N ATOM 0 H LYS A 81 -5.979 -15.078 -8.338 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.643 -15.069 -5.571 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.562 -13.762 -7.682 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.668 -15.117 -7.787 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -8.317 -13.389 -5.311 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.559 -13.137 -6.522 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -10.455 -15.419 -6.070 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.219 -15.660 -4.851 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.097 -13.700 -3.584 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -11.342 -13.480 -4.798 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.177 -14.696 -2.899 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -12.202 -15.686 -4.278 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -10.997 -15.900 -3.102 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.688 -17.607 -7.423 1.00 0.75 N ATOM 1402 CA ASN A 82 -8.150 -18.987 -7.357 1.00 0.75 C ATOM 1403 C ASN A 82 -7.082 -19.861 -6.713 1.00 0.74 C ATOM 1404 O ASN A 82 -7.402 -20.824 -6.022 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.493 -19.511 -8.754 1.00 0.73 C ATOM 1406 CG ASN A 82 -9.114 -20.899 -8.730 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -8.411 -21.909 -8.776 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -10.434 -20.957 -8.669 1.00 1.54 N ATOM 0 H ASN A 82 -7.519 -17.262 -8.368 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.054 -19.022 -6.748 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.182 -18.818 -9.237 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.587 -19.534 -9.360 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.905 -21.862 -8.659 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -10.981 -20.097 -8.632 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.817 -19.518 -6.928 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.724 -20.265 -6.327 1.00 0.72 C ATOM 1417 C LEU A 83 -4.833 -20.202 -4.814 1.00 0.74 C ATOM 1418 O LEU A 83 -4.715 -21.212 -4.126 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.381 -19.700 -6.788 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.536 -20.631 -7.662 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.361 -19.872 -8.259 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.040 -21.826 -6.858 1.00 1.37 C ATOM 0 H LEU A 83 -5.526 -18.733 -7.510 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.786 -21.306 -6.644 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.565 -18.779 -7.342 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.799 -19.431 -5.907 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.163 -21.001 -8.473 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.769 -20.546 -8.878 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.732 -19.050 -8.871 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.739 -19.475 -7.457 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.442 -22.473 -7.500 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.430 -21.476 -6.025 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -2.893 -22.385 -6.473 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.119 -19.011 -4.307 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.258 -18.802 -2.877 1.00 0.81 C ATOM 1436 C LYS A 84 -6.431 -19.620 -2.338 1.00 0.83 C ATOM 1437 O LYS A 84 -6.294 -20.338 -1.345 1.00 0.87 O ATOM 1438 CB LYS A 84 -5.460 -17.314 -2.578 1.00 0.88 C ATOM 1439 CG LYS A 84 -5.466 -16.980 -1.096 1.00 0.96 C ATOM 1440 CD LYS A 84 -5.554 -15.480 -0.864 1.00 1.19 C ATOM 1441 CE LYS A 84 -5.595 -15.144 0.617 1.00 1.54 C ATOM 1442 NZ LYS A 84 -6.817 -15.676 1.274 1.00 2.27 N ATOM 0 H LYS A 84 -5.259 -18.172 -4.870 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.346 -19.134 -2.381 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -4.669 -16.745 -3.066 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.403 -16.990 -3.017 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -6.310 -17.474 -0.614 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -4.560 -17.369 -0.630 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -4.697 -14.989 -1.325 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -6.447 -15.088 -1.351 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -4.712 -15.555 1.107 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -5.556 -14.062 0.745 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -6.920 -15.247 2.216 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -7.650 -15.446 0.696 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -6.737 -16.708 1.371 1.00 2.27 H new ATOM 1456 N ASP A 85 -7.571 -19.528 -3.018 1.00 0.84 N ATOM 1457 CA ASP A 85 -8.783 -20.252 -2.620 1.00 0.91 C ATOM 1458 C ASP A 85 -8.625 -21.766 -2.746 1.00 0.90 C ATOM 1459 O ASP A 85 -9.210 -22.519 -1.965 1.00 0.94 O ATOM 1460 CB ASP A 85 -9.967 -19.803 -3.478 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.270 -20.452 -3.056 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -11.897 -19.964 -2.094 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -11.678 -21.453 -3.683 1.00 2.52 O ATOM 0 H ASP A 85 -7.684 -18.955 -3.854 1.00 0.84 H new ATOM 0 HA ASP A 85 -8.962 -20.018 -1.571 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.067 -18.720 -3.414 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -9.767 -20.044 -4.522 1.00 0.98 H new ATOM 1468 N SER A 86 -7.821 -22.217 -3.695 1.00 0.86 N ATOM 1469 CA SER A 86 -7.650 -23.651 -3.897 1.00 0.90 C ATOM 1470 C SER A 86 -6.645 -24.221 -2.900 1.00 0.84 C ATOM 1471 O SER A 86 -6.483 -25.438 -2.783 1.00 0.96 O ATOM 1472 CB SER A 86 -7.227 -23.956 -5.337 1.00 0.97 C ATOM 1473 OG SER A 86 -6.149 -23.137 -5.746 1.00 1.52 O ATOM 0 H SER A 86 -7.284 -21.625 -4.329 1.00 0.86 H new ATOM 0 HA SER A 86 -8.611 -24.134 -3.722 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.940 -25.004 -5.418 1.00 0.97 H new ATOM 0 HB3 SER A 86 -8.074 -23.805 -6.006 1.00 0.97 H new ATOM 0 HG SER A 86 -6.496 -22.294 -6.104 1.00 1.52 H new ATOM 1479 N GLY A 87 -5.982 -23.333 -2.177 1.00 0.80 N ATOM 1480 CA GLY A 87 -5.099 -23.756 -1.115 1.00 0.88 C ATOM 1481 C GLY A 87 -3.650 -23.444 -1.399 1.00 0.82 C ATOM 1482 O GLY A 87 -2.770 -24.255 -1.108 1.00 0.92 O ATOM 0 H GLY A 87 -6.041 -22.323 -2.308 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -5.396 -23.268 -0.186 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -5.211 -24.829 -0.961 1.00 0.88 H new ATOM 1486 N ALA A 88 -3.388 -22.274 -1.959 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.016 -21.832 -2.117 1.00 0.76 C ATOM 1488 C ALA A 88 -1.562 -21.188 -0.826 1.00 0.80 C ATOM 1489 O ALA A 88 -2.200 -20.269 -0.302 1.00 0.83 O ATOM 1490 CB ALA A 88 -1.883 -20.845 -3.261 1.00 0.76 C ATOM 0 H ALA A 88 -4.094 -21.625 -2.306 1.00 0.76 H new ATOM 0 HA ALA A 88 -1.392 -22.695 -2.350 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -0.843 -20.533 -3.353 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.203 -21.318 -4.189 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.507 -19.973 -3.064 1.00 0.76 H new ATOM 1496 N SER A 89 -0.464 -21.700 -0.324 1.00 0.81 N ATOM 1497 CA SER A 89 0.176 -21.170 0.849 1.00 0.86 C ATOM 1498 C SER A 89 0.888 -19.872 0.505 1.00 0.78 C ATOM 1499 O SER A 89 0.846 -19.424 -0.650 1.00 0.77 O ATOM 1500 CB SER A 89 1.163 -22.201 1.379 1.00 0.93 C ATOM 1501 OG SER A 89 2.003 -22.672 0.341 1.00 1.60 O ATOM 0 H SER A 89 0.014 -22.507 -0.726 1.00 0.81 H new ATOM 0 HA SER A 89 -0.567 -20.958 1.617 1.00 0.86 H new ATOM 0 HB2 SER A 89 1.768 -21.759 2.170 1.00 0.93 H new ATOM 0 HB3 SER A 89 0.621 -23.037 1.822 1.00 0.93 H new ATOM 0 HG SER A 89 2.631 -23.332 0.702 1.00 1.60 H new ATOM 1507 N LYS A 90 1.554 -19.275 1.482 1.00 0.76 N ATOM 1508 CA LYS A 90 2.296 -18.048 1.244 1.00 0.74 C ATOM 1509 C LYS A 90 3.325 -18.256 0.142 1.00 0.69 C ATOM 1510 O LYS A 90 3.611 -17.347 -0.625 1.00 0.67 O ATOM 1511 CB LYS A 90 3.010 -17.582 2.513 1.00 0.81 C ATOM 1512 CG LYS A 90 2.082 -17.198 3.654 1.00 1.29 C ATOM 1513 CD LYS A 90 2.856 -16.557 4.800 1.00 1.77 C ATOM 1514 CE LYS A 90 3.937 -17.483 5.341 1.00 2.22 C ATOM 1515 NZ LYS A 90 4.808 -16.796 6.329 1.00 2.96 N ATOM 0 H LYS A 90 1.596 -19.618 2.442 1.00 0.76 H new ATOM 0 HA LYS A 90 1.581 -17.284 0.939 1.00 0.74 H new ATOM 0 HB2 LYS A 90 3.674 -18.376 2.853 1.00 0.81 H new ATOM 0 HB3 LYS A 90 3.637 -16.725 2.268 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.323 -16.505 3.292 1.00 1.29 H new ATOM 0 HG3 LYS A 90 1.559 -18.084 4.015 1.00 1.29 H new ATOM 0 HD2 LYS A 90 3.312 -15.628 4.456 1.00 1.77 H new ATOM 0 HD3 LYS A 90 2.166 -16.295 5.603 1.00 1.77 H new ATOM 0 HE2 LYS A 90 3.472 -18.351 5.808 1.00 2.22 H new ATOM 0 HE3 LYS A 90 4.545 -17.853 4.516 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 5.610 -17.412 6.572 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 5.165 -15.909 5.920 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 4.260 -16.585 7.188 1.00 2.96 H new ATOM 1529 N GLU A 91 3.844 -19.475 0.047 1.00 0.71 N ATOM 1530 CA GLU A 91 4.975 -19.755 -0.822 1.00 0.70 C ATOM 1531 C GLU A 91 4.557 -19.940 -2.282 1.00 0.67 C ATOM 1532 O GLU A 91 5.212 -19.438 -3.187 1.00 0.67 O ATOM 1533 CB GLU A 91 5.709 -20.988 -0.333 1.00 0.73 C ATOM 1534 CG GLU A 91 6.209 -20.854 1.087 1.00 1.30 C ATOM 1535 CD GLU A 91 7.190 -19.719 1.265 1.00 1.74 C ATOM 1536 OE1 GLU A 91 8.369 -19.877 0.884 1.00 2.34 O ATOM 1537 OE2 GLU A 91 6.775 -18.648 1.761 1.00 2.10 O ATOM 0 H GLU A 91 3.497 -20.284 0.563 1.00 0.71 H new ATOM 0 HA GLU A 91 5.637 -18.890 -0.782 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.044 -21.849 -0.398 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.554 -21.186 -0.993 1.00 0.73 H new ATOM 0 HG2 GLU A 91 5.359 -20.700 1.752 1.00 1.30 H new ATOM 0 HG3 GLU A 91 6.684 -21.788 1.388 1.00 1.30 H new ATOM 1544 N GLU A 92 3.488 -20.693 -2.502 1.00 0.66 N ATOM 1545 CA GLU A 92 2.922 -20.905 -3.821 1.00 0.65 C ATOM 1546 C GLU A 92 2.482 -19.590 -4.422 1.00 0.60 C ATOM 1547 O GLU A 92 2.673 -19.354 -5.601 1.00 0.57 O ATOM 1548 CB GLU A 92 1.723 -21.826 -3.710 1.00 0.69 C ATOM 1549 CG GLU A 92 2.012 -23.100 -2.954 1.00 0.74 C ATOM 1550 CD GLU A 92 2.958 -24.017 -3.698 1.00 1.06 C ATOM 1551 OE1 GLU A 92 4.185 -23.822 -3.591 1.00 1.45 O ATOM 1552 OE2 GLU A 92 2.479 -24.942 -4.389 1.00 1.10 O ATOM 0 H GLU A 92 2.986 -21.178 -1.759 1.00 0.66 H new ATOM 0 HA GLU A 92 3.681 -21.353 -4.462 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.911 -21.294 -3.214 1.00 0.69 H new ATOM 0 HB3 GLU A 92 1.374 -22.078 -4.711 1.00 0.69 H new ATOM 0 HG2 GLU A 92 2.441 -22.852 -1.983 1.00 0.74 H new ATOM 0 HG3 GLU A 92 1.076 -23.626 -2.765 1.00 0.74 H new ATOM 1559 N LEU A 93 1.921 -18.724 -3.593 1.00 0.61 N ATOM 1560 CA LEU A 93 1.650 -17.365 -4.038 1.00 0.60 C ATOM 1561 C LEU A 93 2.984 -16.673 -4.184 1.00 0.61 C ATOM 1562 O LEU A 93 3.217 -16.081 -5.219 1.00 0.64 O ATOM 1563 CB LEU A 93 0.675 -16.652 -3.104 1.00 0.64 C ATOM 1564 CG LEU A 93 -0.736 -17.257 -3.127 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -1.724 -16.392 -2.377 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.208 -17.468 -4.559 1.00 1.07 C ATOM 0 H LEU A 93 1.650 -18.929 -2.631 1.00 0.61 H new ATOM 0 HA LEU A 93 1.143 -17.355 -5.003 1.00 0.60 H new ATOM 0 HB2 LEU A 93 1.063 -16.690 -2.086 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.617 -15.600 -3.384 1.00 0.64 H new ATOM 0 HG LEU A 93 -0.684 -18.223 -2.625 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -2.712 -16.852 -2.415 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.408 -16.295 -1.338 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -1.766 -15.405 -2.837 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.210 -17.897 -4.552 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.227 -16.511 -5.081 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.526 -18.147 -5.071 1.00 1.07 H new ATOM 1578 N LYS A 94 3.901 -16.786 -3.253 1.00 0.61 N ATOM 1579 CA LYS A 94 5.099 -15.961 -3.301 1.00 0.61 C ATOM 1580 C LYS A 94 5.892 -16.261 -4.554 1.00 0.66 C ATOM 1581 O LYS A 94 6.370 -15.361 -5.241 1.00 0.72 O ATOM 1582 CB LYS A 94 5.956 -16.195 -2.049 1.00 0.64 C ATOM 1583 CG LYS A 94 7.207 -15.331 -1.951 1.00 0.69 C ATOM 1584 CD LYS A 94 8.376 -15.937 -2.713 1.00 1.16 C ATOM 1585 CE LYS A 94 9.614 -15.069 -2.613 1.00 1.38 C ATOM 1586 NZ LYS A 94 10.753 -15.628 -3.385 1.00 2.06 N ATOM 0 H LYS A 94 3.849 -17.428 -2.462 1.00 0.61 H new ATOM 0 HA LYS A 94 4.803 -14.912 -3.324 1.00 0.61 H new ATOM 0 HB2 LYS A 94 5.340 -16.016 -1.168 1.00 0.64 H new ATOM 0 HB3 LYS A 94 6.254 -17.243 -2.023 1.00 0.64 H new ATOM 0 HG2 LYS A 94 6.993 -14.337 -2.344 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.482 -15.207 -0.903 1.00 0.69 H new ATOM 0 HD2 LYS A 94 8.593 -16.930 -2.318 1.00 1.16 H new ATOM 0 HD3 LYS A 94 8.103 -16.063 -3.761 1.00 1.16 H new ATOM 0 HE2 LYS A 94 9.385 -14.068 -2.979 1.00 1.38 H new ATOM 0 HE3 LYS A 94 9.901 -14.967 -1.566 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 11.568 -14.985 -3.316 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 11.012 -16.558 -2.998 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 10.478 -15.733 -4.383 1.00 2.06 H new ATOM 1600 N ALA A 95 5.991 -17.531 -4.856 1.00 0.67 N ATOM 1601 CA ALA A 95 6.810 -17.973 -5.946 1.00 0.73 C ATOM 1602 C ALA A 95 6.092 -17.874 -7.283 1.00 0.73 C ATOM 1603 O ALA A 95 6.633 -17.339 -8.251 1.00 0.93 O ATOM 1604 CB ALA A 95 7.283 -19.395 -5.701 1.00 0.77 C ATOM 0 H ALA A 95 5.509 -18.278 -4.356 1.00 0.67 H new ATOM 0 HA ALA A 95 7.673 -17.309 -5.996 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.904 -19.721 -6.535 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.864 -19.431 -4.780 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.420 -20.055 -5.612 1.00 0.77 H new ATOM 1610 N LYS A 96 4.864 -18.401 -7.332 1.00 0.70 N ATOM 1611 CA LYS A 96 4.082 -18.350 -8.567 1.00 0.76 C ATOM 1612 C LYS A 96 3.841 -16.916 -9.051 1.00 0.58 C ATOM 1613 O LYS A 96 3.709 -16.654 -10.247 1.00 0.55 O ATOM 1614 CB LYS A 96 2.736 -19.053 -8.403 1.00 1.02 C ATOM 1615 CG LYS A 96 2.729 -20.493 -8.890 1.00 1.75 C ATOM 1616 CD LYS A 96 3.910 -21.282 -8.352 1.00 2.07 C ATOM 1617 CE LYS A 96 3.983 -22.669 -8.969 1.00 2.92 C ATOM 1618 NZ LYS A 96 4.136 -22.603 -10.449 1.00 3.11 N ATOM 0 H LYS A 96 4.400 -18.858 -6.547 1.00 0.70 H new ATOM 0 HA LYS A 96 4.677 -18.870 -9.318 1.00 0.76 H new ATOM 0 HB2 LYS A 96 2.454 -19.035 -7.350 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.976 -18.492 -8.947 1.00 1.02 H new ATOM 0 HG2 LYS A 96 1.801 -20.975 -8.583 1.00 1.75 H new ATOM 0 HG3 LYS A 96 2.750 -20.507 -9.980 1.00 1.75 H new ATOM 0 HD2 LYS A 96 4.834 -20.742 -8.559 1.00 2.07 H new ATOM 0 HD3 LYS A 96 3.827 -21.369 -7.269 1.00 2.07 H new ATOM 0 HE2 LYS A 96 4.823 -23.215 -8.540 1.00 2.92 H new ATOM 0 HE3 LYS A 96 3.080 -23.226 -8.720 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 4.780 -23.355 -10.765 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 3.208 -22.730 -10.900 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 4.527 -21.677 -10.717 1.00 3.11 H new ATOM 1632 N VAL A 97 3.804 -15.988 -8.088 1.00 0.62 N ATOM 1633 CA VAL A 97 3.675 -14.571 -8.376 1.00 0.57 C ATOM 1634 C VAL A 97 4.940 -14.047 -9.041 1.00 0.54 C ATOM 1635 O VAL A 97 4.868 -13.310 -10.020 1.00 0.59 O ATOM 1636 CB VAL A 97 3.392 -13.760 -7.093 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.576 -12.277 -7.322 1.00 0.97 C ATOM 1638 CG2 VAL A 97 1.991 -14.036 -6.594 1.00 0.93 C ATOM 0 H VAL A 97 3.863 -16.206 -7.093 1.00 0.62 H new ATOM 0 HA VAL A 97 2.831 -14.449 -9.055 1.00 0.57 H new ATOM 0 HB VAL A 97 4.111 -14.076 -6.338 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.368 -11.738 -6.398 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.602 -12.082 -7.634 1.00 0.97 H new ATOM 0 HG13 VAL A 97 2.890 -11.941 -8.100 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.806 -13.457 -5.689 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.269 -13.752 -7.360 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.886 -15.098 -6.373 1.00 0.93 H new ATOM 1648 N GLU A 98 6.102 -14.449 -8.525 1.00 0.53 N ATOM 1649 CA GLU A 98 7.370 -14.030 -9.110 1.00 0.57 C ATOM 1650 C GLU A 98 7.473 -14.496 -10.552 1.00 0.52 C ATOM 1651 O GLU A 98 8.073 -13.823 -11.382 1.00 0.53 O ATOM 1652 CB GLU A 98 8.566 -14.549 -8.316 1.00 0.68 C ATOM 1653 CG GLU A 98 8.691 -13.934 -6.935 1.00 0.81 C ATOM 1654 CD GLU A 98 10.031 -14.216 -6.295 1.00 1.31 C ATOM 1655 OE1 GLU A 98 10.311 -15.397 -5.989 1.00 1.65 O ATOM 1656 OE2 GLU A 98 10.817 -13.268 -6.097 1.00 2.03 O ATOM 0 H GLU A 98 6.189 -15.058 -7.711 1.00 0.53 H new ATOM 0 HA GLU A 98 7.391 -12.941 -9.077 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.483 -15.631 -8.216 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.479 -14.349 -8.878 1.00 0.68 H new ATOM 0 HG2 GLU A 98 8.546 -12.856 -7.006 1.00 0.81 H new ATOM 0 HG3 GLU A 98 7.898 -14.321 -6.295 1.00 0.81 H new ATOM 1663 N GLU A 99 6.865 -15.636 -10.852 1.00 0.49 N ATOM 1664 CA GLU A 99 6.848 -16.142 -12.216 1.00 0.49 C ATOM 1665 C GLU A 99 6.060 -15.197 -13.111 1.00 0.48 C ATOM 1666 O GLU A 99 6.431 -14.956 -14.260 1.00 0.51 O ATOM 1667 CB GLU A 99 6.264 -17.553 -12.265 1.00 0.52 C ATOM 1668 CG GLU A 99 7.045 -18.552 -11.424 1.00 0.91 C ATOM 1669 CD GLU A 99 6.591 -19.979 -11.634 1.00 1.68 C ATOM 1670 OE1 GLU A 99 7.077 -20.623 -12.583 1.00 1.82 O ATOM 1671 OE2 GLU A 99 5.758 -20.470 -10.847 1.00 2.48 O ATOM 0 H GLU A 99 6.380 -16.224 -10.174 1.00 0.49 H new ATOM 0 HA GLU A 99 7.873 -16.194 -12.582 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.231 -17.524 -11.918 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.244 -17.896 -13.300 1.00 0.52 H new ATOM 0 HG2 GLU A 99 8.105 -18.474 -11.667 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.939 -18.294 -10.370 1.00 0.91 H new ATOM 1678 N ALA A 100 4.993 -14.631 -12.561 1.00 0.49 N ATOM 1679 CA ALA A 100 4.196 -13.648 -13.272 1.00 0.55 C ATOM 1680 C ALA A 100 4.939 -12.319 -13.366 1.00 0.54 C ATOM 1681 O ALA A 100 5.023 -11.710 -14.431 1.00 0.58 O ATOM 1682 CB ALA A 100 2.871 -13.464 -12.561 1.00 0.63 C ATOM 0 H ALA A 100 4.661 -14.840 -11.619 1.00 0.49 H new ATOM 0 HA ALA A 100 4.014 -14.004 -14.286 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.272 -12.726 -13.094 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.337 -14.414 -12.534 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.049 -13.119 -11.542 1.00 0.63 H new ATOM 1688 N LEU A 101 5.481 -11.887 -12.234 1.00 0.51 N ATOM 1689 CA LEU A 101 6.221 -10.632 -12.138 1.00 0.53 C ATOM 1690 C LEU A 101 7.508 -10.666 -12.961 1.00 0.51 C ATOM 1691 O LEU A 101 8.097 -9.627 -13.246 1.00 0.53 O ATOM 1692 CB LEU A 101 6.549 -10.334 -10.672 1.00 0.53 C ATOM 1693 CG LEU A 101 5.424 -9.693 -9.838 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.352 -8.199 -10.095 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.073 -10.322 -10.132 1.00 1.28 C ATOM 0 H LEU A 101 5.420 -12.398 -11.353 1.00 0.51 H new ATOM 0 HA LEU A 101 5.589 -9.842 -12.544 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.843 -11.267 -10.191 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.416 -9.673 -10.643 1.00 0.53 H new ATOM 0 HG LEU A 101 5.663 -9.872 -8.790 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.551 -7.765 -9.496 1.00 1.40 H new ATOM 0 HD12 LEU A 101 6.301 -7.737 -9.822 1.00 1.40 H new ATOM 0 HD13 LEU A 101 5.153 -8.021 -11.152 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.307 -9.841 -9.523 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.833 -10.191 -11.187 1.00 1.28 H new ATOM 0 HD23 LEU A 101 4.108 -11.386 -9.897 1.00 1.28 H new ATOM 1707 N HIS A 102 7.958 -11.855 -13.326 1.00 0.51 N ATOM 1708 CA HIS A 102 9.085 -11.969 -14.237 1.00 0.53 C ATOM 1709 C HIS A 102 8.566 -11.972 -15.666 1.00 0.56 C ATOM 1710 O HIS A 102 9.084 -11.252 -16.519 1.00 0.57 O ATOM 1711 CB HIS A 102 9.911 -13.224 -13.947 1.00 0.55 C ATOM 1712 CG HIS A 102 10.639 -13.183 -12.639 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.150 -14.306 -12.027 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.931 -12.146 -11.820 1.00 1.39 C ATOM 1715 CE1 HIS A 102 11.720 -13.961 -10.889 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.602 -12.656 -10.740 1.00 2.14 N ATOM 0 H HIS A 102 7.567 -12.743 -13.011 1.00 0.51 H new ATOM 0 HA HIS A 102 9.747 -11.115 -14.095 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.251 -14.092 -13.957 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.635 -13.364 -14.750 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.681 -11.109 -11.987 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.202 -14.634 -10.196 1.00 2.48 H new ATOM 0 HE2 HIS A 102 11.953 -12.115 -9.950 1.00 2.14 H new ATOM 1725 N ALA A 103 7.553 -12.795 -15.928 1.00 0.58 N ATOM 1726 CA ALA A 103 7.038 -13.002 -17.284 1.00 0.61 C ATOM 1727 C ALA A 103 6.407 -11.739 -17.880 1.00 0.61 C ATOM 1728 O ALA A 103 6.031 -11.727 -19.056 1.00 0.64 O ATOM 1729 CB ALA A 103 6.039 -14.146 -17.288 1.00 0.63 C ATOM 0 H ALA A 103 7.067 -13.335 -15.212 1.00 0.58 H new ATOM 0 HA ALA A 103 7.889 -13.254 -17.917 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.660 -14.295 -18.299 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.529 -15.058 -16.946 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.210 -13.908 -16.621 1.00 0.63 H new ATOM 1735 N VAL A 104 6.290 -10.684 -17.089 1.00 0.60 N ATOM 1736 CA VAL A 104 5.772 -9.437 -17.566 1.00 0.63 C ATOM 1737 C VAL A 104 6.892 -8.617 -18.208 1.00 0.76 C ATOM 1738 O VAL A 104 8.036 -8.632 -17.747 1.00 1.68 O ATOM 1739 CB VAL A 104 5.112 -8.663 -16.416 1.00 0.57 C ATOM 1740 CG1 VAL A 104 6.077 -8.501 -15.280 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.612 -7.312 -16.869 1.00 0.51 C ATOM 0 H VAL A 104 6.554 -10.680 -16.104 1.00 0.60 H new ATOM 0 HA VAL A 104 5.013 -9.631 -18.323 1.00 0.63 H new ATOM 0 HB VAL A 104 4.252 -9.241 -16.078 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.597 -7.951 -14.471 1.00 0.60 H new ATOM 0 HG12 VAL A 104 6.383 -9.483 -14.919 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.954 -7.951 -15.623 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.151 -6.794 -16.028 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.448 -6.722 -17.245 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.875 -7.444 -17.662 1.00 0.51 H new ATOM 1751 N THR A 105 6.549 -7.908 -19.265 1.00 0.77 N ATOM 1752 CA THR A 105 7.561 -7.149 -19.994 1.00 0.79 C ATOM 1753 C THR A 105 7.025 -5.828 -20.525 1.00 0.75 C ATOM 1754 O THR A 105 7.709 -5.150 -21.290 1.00 0.95 O ATOM 1755 CB THR A 105 8.123 -7.965 -21.175 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.048 -8.536 -21.934 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.055 -9.070 -20.699 1.00 1.03 C ATOM 0 H THR A 105 5.602 -7.838 -19.637 1.00 0.77 H new ATOM 0 HA THR A 105 8.354 -6.938 -19.277 1.00 0.79 H new ATOM 0 HB THR A 105 8.697 -7.284 -21.804 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.414 -9.051 -22.683 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.432 -9.624 -21.559 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.892 -8.631 -20.155 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.510 -9.747 -20.041 1.00 1.03 H new ATOM 1765 N ASP A 106 5.829 -5.441 -20.123 1.00 0.77 N ATOM 1766 CA ASP A 106 5.338 -4.114 -20.442 1.00 0.79 C ATOM 1767 C ASP A 106 5.886 -3.110 -19.433 1.00 0.73 C ATOM 1768 O ASP A 106 5.645 -3.220 -18.231 1.00 0.72 O ATOM 1769 CB ASP A 106 3.808 -4.098 -20.410 1.00 0.79 C ATOM 1770 CG ASP A 106 3.214 -2.831 -21.002 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.194 -1.791 -20.313 1.00 2.07 O ATOM 1772 OD2 ASP A 106 2.739 -2.880 -22.155 1.00 1.38 O ATOM 0 H ASP A 106 5.186 -6.019 -19.581 1.00 0.77 H new ATOM 0 HA ASP A 106 5.673 -3.841 -21.443 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.430 -4.961 -20.959 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.471 -4.203 -19.379 1.00 0.79 H new ATOM 1777 N GLU A 107 6.666 -2.164 -19.953 1.00 0.71 N ATOM 1778 CA GLU A 107 7.544 -1.303 -19.158 1.00 0.69 C ATOM 1779 C GLU A 107 6.845 -0.663 -17.959 1.00 0.66 C ATOM 1780 O GLU A 107 7.349 -0.717 -16.834 1.00 0.63 O ATOM 1781 CB GLU A 107 8.124 -0.215 -20.059 1.00 0.73 C ATOM 1782 CG GLU A 107 9.037 0.763 -19.340 1.00 1.63 C ATOM 1783 CD GLU A 107 9.519 1.867 -20.250 1.00 2.35 C ATOM 1784 OE1 GLU A 107 8.694 2.708 -20.663 1.00 3.18 O ATOM 1785 OE2 GLU A 107 10.730 1.908 -20.548 1.00 2.65 O ATOM 0 H GLU A 107 6.707 -1.970 -20.954 1.00 0.71 H new ATOM 0 HA GLU A 107 8.333 -1.936 -18.752 1.00 0.69 H new ATOM 0 HB2 GLU A 107 8.680 -0.687 -20.869 1.00 0.73 H new ATOM 0 HB3 GLU A 107 7.304 0.339 -20.516 1.00 0.73 H new ATOM 0 HG2 GLU A 107 8.506 1.198 -18.493 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.896 0.226 -18.936 1.00 1.63 H new ATOM 1792 N GLU A 108 5.694 -0.062 -18.220 1.00 0.67 N ATOM 1793 CA GLU A 108 4.889 0.579 -17.186 1.00 0.66 C ATOM 1794 C GLU A 108 4.628 -0.381 -16.032 1.00 0.58 C ATOM 1795 O GLU A 108 4.754 -0.024 -14.860 1.00 0.54 O ATOM 1796 CB GLU A 108 3.558 1.028 -17.785 1.00 0.76 C ATOM 1797 CG GLU A 108 2.592 1.601 -16.767 1.00 1.46 C ATOM 1798 CD GLU A 108 1.179 1.640 -17.291 1.00 2.09 C ATOM 1799 OE1 GLU A 108 0.567 0.565 -17.451 1.00 2.78 O ATOM 1800 OE2 GLU A 108 0.669 2.754 -17.540 1.00 2.40 O ATOM 0 H GLU A 108 5.290 -0.004 -19.155 1.00 0.67 H new ATOM 0 HA GLU A 108 5.435 1.441 -16.804 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.750 1.778 -18.552 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.088 0.178 -18.280 1.00 0.76 H new ATOM 0 HG2 GLU A 108 2.625 1.001 -15.858 1.00 1.46 H new ATOM 0 HG3 GLU A 108 2.906 2.609 -16.496 1.00 1.46 H new ATOM 1807 N LYS A 109 4.269 -1.607 -16.382 1.00 0.59 N ATOM 1808 CA LYS A 109 3.940 -2.639 -15.416 1.00 0.55 C ATOM 1809 C LYS A 109 5.144 -2.968 -14.536 1.00 0.51 C ATOM 1810 O LYS A 109 5.019 -3.109 -13.319 1.00 0.48 O ATOM 1811 CB LYS A 109 3.444 -3.889 -16.146 1.00 0.58 C ATOM 1812 CG LYS A 109 2.023 -3.776 -16.690 1.00 0.65 C ATOM 1813 CD LYS A 109 1.859 -2.612 -17.644 1.00 1.22 C ATOM 1814 CE LYS A 109 0.521 -2.643 -18.364 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.341 -1.454 -19.241 1.00 1.81 N ATOM 0 H LYS A 109 4.198 -1.914 -17.352 1.00 0.59 H new ATOM 0 HA LYS A 109 3.147 -2.270 -14.766 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.121 -4.105 -16.973 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.493 -4.737 -15.464 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.759 -4.701 -17.202 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.327 -3.661 -15.859 1.00 0.65 H new ATOM 0 HD2 LYS A 109 1.951 -1.677 -17.092 1.00 1.22 H new ATOM 0 HD3 LYS A 109 2.665 -2.630 -18.378 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.451 -3.551 -18.963 1.00 1.11 H new ATOM 0 HE3 LYS A 109 -0.286 -2.681 -17.632 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.424 -1.637 -19.922 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.096 -0.627 -18.659 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.225 -1.265 -19.756 1.00 1.81 H new ATOM 1829 N LYS A 110 6.315 -3.056 -15.150 1.00 0.53 N ATOM 1830 CA LYS A 110 7.534 -3.403 -14.424 1.00 0.53 C ATOM 1831 C LYS A 110 8.030 -2.242 -13.562 1.00 0.51 C ATOM 1832 O LYS A 110 8.860 -2.409 -12.666 1.00 0.51 O ATOM 1833 CB LYS A 110 8.640 -3.807 -15.394 1.00 0.56 C ATOM 1834 CG LYS A 110 8.311 -5.008 -16.266 1.00 0.62 C ATOM 1835 CD LYS A 110 9.524 -5.441 -17.076 1.00 0.80 C ATOM 1836 CE LYS A 110 10.003 -4.335 -18.007 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.310 -4.656 -18.630 1.00 1.14 N ATOM 0 H LYS A 110 6.450 -2.893 -16.148 1.00 0.53 H new ATOM 0 HA LYS A 110 7.288 -4.241 -13.772 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.867 -2.958 -16.039 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.543 -4.025 -14.824 1.00 0.56 H new ATOM 0 HG2 LYS A 110 7.973 -5.834 -15.641 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.490 -4.760 -16.938 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.331 -5.723 -16.400 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.274 -6.326 -17.661 1.00 0.80 H new ATOM 0 HE2 LYS A 110 9.260 -4.172 -18.788 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.088 -3.403 -17.448 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.597 -3.876 -19.255 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 12.026 -4.786 -17.887 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 11.224 -5.531 -19.185 1.00 1.14 H new ATOM 1851 N GLN A 111 7.488 -1.069 -13.844 1.00 0.51 N ATOM 1852 CA GLN A 111 7.700 0.072 -12.963 1.00 0.51 C ATOM 1853 C GLN A 111 6.959 -0.110 -11.646 1.00 0.50 C ATOM 1854 O GLN A 111 7.459 0.261 -10.591 1.00 0.51 O ATOM 1855 CB GLN A 111 7.299 1.383 -13.634 1.00 0.52 C ATOM 1856 CG GLN A 111 8.306 1.847 -14.669 1.00 1.08 C ATOM 1857 CD GLN A 111 9.728 1.742 -14.156 1.00 1.23 C ATOM 1858 OE1 GLN A 111 10.399 0.729 -14.357 1.00 1.69 O ATOM 1859 NE2 GLN A 111 10.191 2.773 -13.467 1.00 1.61 N ATOM 0 H GLN A 111 6.907 -0.881 -14.661 1.00 0.51 H new ATOM 0 HA GLN A 111 8.768 0.124 -12.750 1.00 0.51 H new ATOM 0 HB2 GLN A 111 6.326 1.259 -14.110 1.00 0.52 H new ATOM 0 HB3 GLN A 111 7.185 2.155 -12.873 1.00 0.52 H new ATOM 0 HG2 GLN A 111 8.200 1.248 -15.573 1.00 1.08 H new ATOM 0 HG3 GLN A 111 8.094 2.880 -14.945 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.604 3.595 -13.322 1.00 1.61 H new ATOM 0 HE22 GLN A 111 11.135 2.746 -13.081 1.00 1.61 H new ATOM 1868 N TYR A 112 5.782 -0.722 -11.717 1.00 0.50 N ATOM 1869 CA TYR A 112 5.012 -1.049 -10.519 1.00 0.49 C ATOM 1870 C TYR A 112 5.698 -2.183 -9.762 1.00 0.49 C ATOM 1871 O TYR A 112 5.616 -2.271 -8.537 1.00 0.50 O ATOM 1872 CB TYR A 112 3.582 -1.445 -10.902 1.00 0.49 C ATOM 1873 CG TYR A 112 2.778 -0.300 -11.483 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.519 0.841 -10.737 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.274 -0.363 -12.777 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.781 1.884 -11.258 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.533 0.678 -13.306 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.314 1.806 -12.564 1.00 0.80 C ATOM 1879 OH TYR A 112 0.550 2.840 -13.062 1.00 0.92 O ATOM 0 H TYR A 112 5.339 -1.003 -12.592 1.00 0.50 H new ATOM 0 HA TYR A 112 4.963 -0.173 -9.872 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.619 -2.258 -11.627 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.070 -1.828 -10.019 1.00 0.49 H new ATOM 0 HD1 TYR A 112 2.902 0.914 -9.730 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.464 -1.239 -13.379 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.568 2.754 -10.655 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.128 0.600 -14.304 1.00 0.75 H new ATOM 0 HH TYR A 112 0.298 2.644 -13.988 1.00 0.92 H new ATOM 1889 N ILE A 113 6.386 -3.043 -10.507 1.00 0.49 N ATOM 1890 CA ILE A 113 7.187 -4.100 -9.904 1.00 0.51 C ATOM 1891 C ILE A 113 8.259 -3.511 -8.993 1.00 0.53 C ATOM 1892 O ILE A 113 8.344 -3.849 -7.816 1.00 0.54 O ATOM 1893 CB ILE A 113 7.874 -4.971 -10.966 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.825 -5.627 -11.850 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.762 -6.021 -10.310 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.416 -6.547 -12.882 1.00 0.72 C ATOM 0 H ILE A 113 6.404 -3.028 -11.527 1.00 0.49 H new ATOM 0 HA ILE A 113 6.503 -4.720 -9.325 1.00 0.51 H new ATOM 0 HB ILE A 113 8.509 -4.337 -11.585 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.132 -6.190 -11.225 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.245 -4.852 -12.352 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.239 -6.627 -11.080 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.527 -5.527 -9.711 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.156 -6.661 -9.669 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.617 -6.984 -13.481 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.088 -5.984 -13.530 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.973 -7.342 -12.385 1.00 0.72 H new ATOM 1908 N ALA A 114 9.074 -2.624 -9.552 1.00 0.56 N ATOM 1909 CA ALA A 114 10.131 -1.968 -8.791 1.00 0.59 C ATOM 1910 C ALA A 114 9.536 -1.071 -7.713 1.00 0.59 C ATOM 1911 O ALA A 114 10.016 -1.041 -6.580 1.00 0.60 O ATOM 1912 CB ALA A 114 11.020 -1.161 -9.726 1.00 0.63 C ATOM 0 H ALA A 114 9.023 -2.342 -10.531 1.00 0.56 H new ATOM 0 HA ALA A 114 10.737 -2.731 -8.302 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.807 -0.674 -9.150 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.469 -1.825 -10.465 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.422 -0.405 -10.234 1.00 0.63 H new ATOM 1918 N ASP A 115 8.486 -0.349 -8.065 1.00 0.61 N ATOM 1919 CA ASP A 115 7.885 0.617 -7.159 1.00 0.66 C ATOM 1920 C ASP A 115 7.189 -0.078 -5.995 1.00 0.60 C ATOM 1921 O ASP A 115 7.584 0.070 -4.841 1.00 0.59 O ATOM 1922 CB ASP A 115 6.884 1.491 -7.923 1.00 0.77 C ATOM 1923 CG ASP A 115 6.394 2.672 -7.116 1.00 1.03 C ATOM 1924 OD1 ASP A 115 7.228 3.515 -6.712 1.00 1.20 O ATOM 1925 OD2 ASP A 115 5.173 2.751 -6.871 1.00 1.73 O ATOM 0 H ASP A 115 8.030 -0.413 -8.975 1.00 0.61 H new ATOM 0 HA ASP A 115 8.678 1.244 -6.752 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.351 1.853 -8.839 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.030 0.882 -8.220 1.00 0.77 H new ATOM 1930 N PHE A 116 6.177 -0.862 -6.314 1.00 0.60 N ATOM 1931 CA PHE A 116 5.296 -1.419 -5.299 1.00 0.60 C ATOM 1932 C PHE A 116 5.681 -2.846 -4.914 1.00 0.56 C ATOM 1933 O PHE A 116 5.371 -3.279 -3.810 1.00 0.55 O ATOM 1934 CB PHE A 116 3.855 -1.391 -5.792 1.00 0.68 C ATOM 1935 CG PHE A 116 2.906 -0.706 -4.868 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.428 -1.353 -3.742 1.00 1.01 C ATOM 1937 CD2 PHE A 116 2.475 0.578 -5.141 1.00 1.11 C ATOM 1938 CE1 PHE A 116 1.535 -0.731 -2.899 1.00 1.29 C ATOM 1939 CE2 PHE A 116 1.580 1.211 -4.298 1.00 1.62 C ATOM 1940 CZ PHE A 116 1.109 0.553 -3.175 1.00 1.52 C ATOM 0 H PHE A 116 5.942 -1.130 -7.270 1.00 0.60 H new ATOM 0 HA PHE A 116 5.398 -0.801 -4.407 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.824 -0.893 -6.761 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.516 -2.415 -5.949 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.759 -2.357 -3.522 1.00 1.01 H new ATOM 0 HD2 PHE A 116 2.840 1.091 -6.019 1.00 1.11 H new ATOM 0 HE1 PHE A 116 1.168 -1.246 -2.024 1.00 1.29 H new ATOM 0 HE2 PHE A 116 1.249 2.216 -4.515 1.00 1.62 H new ATOM 0 HZ PHE A 116 0.409 1.044 -2.515 1.00 1.52 H new ATOM 1950 N GLY A 117 6.353 -3.557 -5.812 1.00 0.55 N ATOM 1951 CA GLY A 117 6.660 -4.978 -5.598 1.00 0.56 C ATOM 1952 C GLY A 117 7.181 -5.328 -4.197 1.00 0.54 C ATOM 1953 O GLY A 117 6.484 -6.000 -3.431 1.00 0.55 O ATOM 0 H GLY A 117 6.698 -3.180 -6.695 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.759 -5.561 -5.790 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.403 -5.288 -6.333 1.00 0.56 H new ATOM 1957 N PRO A 118 8.400 -4.888 -3.826 1.00 0.52 N ATOM 1958 CA PRO A 118 9.030 -5.263 -2.544 1.00 0.53 C ATOM 1959 C PRO A 118 8.226 -4.831 -1.316 1.00 0.46 C ATOM 1960 O PRO A 118 8.331 -5.431 -0.245 1.00 0.45 O ATOM 1961 CB PRO A 118 10.376 -4.530 -2.573 1.00 0.54 C ATOM 1962 CG PRO A 118 10.219 -3.459 -3.598 1.00 0.65 C ATOM 1963 CD PRO A 118 9.265 -4.001 -4.621 1.00 0.53 C ATOM 0 HA PRO A 118 9.109 -6.346 -2.454 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.615 -4.108 -1.597 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.188 -5.209 -2.834 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.832 -2.544 -3.150 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.178 -3.210 -4.052 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.695 -3.207 -5.103 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.785 -4.544 -5.410 1.00 0.53 H new ATOM 1971 N ALA A 119 7.426 -3.792 -1.476 1.00 0.46 N ATOM 1972 CA ALA A 119 6.601 -3.280 -0.391 1.00 0.42 C ATOM 1973 C ALA A 119 5.273 -4.022 -0.321 1.00 0.44 C ATOM 1974 O ALA A 119 4.718 -4.236 0.758 1.00 0.43 O ATOM 1975 CB ALA A 119 6.353 -1.794 -0.593 1.00 0.41 C ATOM 0 H ALA A 119 7.328 -3.281 -2.353 1.00 0.46 H new ATOM 0 HA ALA A 119 7.130 -3.437 0.549 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.735 -1.414 0.221 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.306 -1.264 -0.603 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.840 -1.636 -1.542 1.00 0.41 H new ATOM 1981 N CYS A 120 4.794 -4.443 -1.479 1.00 0.47 N ATOM 1982 CA CYS A 120 3.646 -5.332 -1.581 1.00 0.50 C ATOM 1983 C CYS A 120 3.918 -6.628 -0.815 1.00 0.52 C ATOM 1984 O CYS A 120 3.007 -7.242 -0.260 1.00 0.53 O ATOM 1985 CB CYS A 120 3.373 -5.639 -3.053 1.00 0.56 C ATOM 1986 SG CYS A 120 1.933 -6.711 -3.354 1.00 1.17 S ATOM 0 H CYS A 120 5.191 -4.177 -2.380 1.00 0.47 H new ATOM 0 HA CYS A 120 2.772 -4.847 -1.146 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.226 -4.699 -3.585 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.257 -6.112 -3.481 1.00 0.56 H new ATOM 1991 N LYS A 121 5.189 -7.020 -0.790 1.00 0.54 N ATOM 1992 CA LYS A 121 5.639 -8.213 -0.071 1.00 0.58 C ATOM 1993 C LYS A 121 5.198 -8.182 1.397 1.00 0.59 C ATOM 1994 O LYS A 121 4.533 -9.108 1.865 1.00 0.65 O ATOM 1995 CB LYS A 121 7.162 -8.292 -0.151 1.00 0.63 C ATOM 1996 CG LYS A 121 7.734 -9.677 0.082 1.00 1.01 C ATOM 1997 CD LYS A 121 7.431 -10.604 -1.083 1.00 1.04 C ATOM 1998 CE LYS A 121 8.225 -11.897 -0.983 1.00 1.37 C ATOM 1999 NZ LYS A 121 9.688 -11.658 -1.104 1.00 1.47 N ATOM 0 H LYS A 121 5.939 -6.520 -1.268 1.00 0.54 H new ATOM 0 HA LYS A 121 5.188 -9.091 -0.535 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.480 -7.942 -1.133 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.588 -7.609 0.584 1.00 0.63 H new ATOM 0 HG2 LYS A 121 8.813 -9.608 0.223 1.00 1.01 H new ATOM 0 HG3 LYS A 121 7.318 -10.095 0.999 1.00 1.01 H new ATOM 0 HD2 LYS A 121 6.365 -10.830 -1.102 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.667 -10.102 -2.021 1.00 1.04 H new ATOM 0 HE2 LYS A 121 8.013 -12.381 -0.029 1.00 1.37 H new ATOM 0 HE3 LYS A 121 7.903 -12.583 -1.767 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 10.056 -12.167 -1.933 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 9.865 -10.639 -1.216 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 10.168 -12.000 -0.247 1.00 1.47 H new ATOM 2013 N LYS A 122 5.583 -7.131 2.126 1.00 0.54 N ATOM 2014 CA LYS A 122 5.175 -6.994 3.527 1.00 0.55 C ATOM 2015 C LYS A 122 3.661 -6.794 3.606 1.00 0.53 C ATOM 2016 O LYS A 122 3.043 -7.144 4.607 1.00 0.57 O ATOM 2017 CB LYS A 122 5.929 -5.853 4.224 1.00 0.52 C ATOM 2018 CG LYS A 122 5.644 -4.469 3.672 1.00 0.46 C ATOM 2019 CD LYS A 122 6.554 -3.406 4.286 1.00 0.47 C ATOM 2020 CE LYS A 122 6.369 -3.273 5.797 1.00 1.15 C ATOM 2021 NZ LYS A 122 7.202 -4.240 6.565 1.00 1.50 N ATOM 0 H LYS A 122 6.168 -6.372 1.776 1.00 0.54 H new ATOM 0 HA LYS A 122 5.434 -7.911 4.056 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.677 -5.865 5.284 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.999 -6.045 4.149 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.775 -4.477 2.590 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.603 -4.210 3.865 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.593 -3.655 4.072 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.353 -2.445 3.813 1.00 0.47 H new ATOM 0 HE2 LYS A 122 6.623 -2.258 6.102 1.00 1.15 H new ATOM 0 HE3 LYS A 122 5.319 -3.427 6.045 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.584 -4.864 7.123 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.767 -4.812 5.905 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.837 -3.720 7.204 1.00 1.50 H new ATOM 2035 N ILE A 123 3.072 -6.188 2.584 1.00 0.49 N ATOM 2036 CA ILE A 123 1.637 -5.916 2.593 1.00 0.48 C ATOM 2037 C ILE A 123 0.800 -7.193 2.560 1.00 0.51 C ATOM 2038 O ILE A 123 -0.149 -7.384 3.321 1.00 0.54 O ATOM 2039 CB ILE A 123 1.229 -5.000 1.436 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.826 -3.613 1.669 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.290 -4.934 1.323 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.516 -2.627 0.577 1.00 0.44 C ATOM 0 H ILE A 123 3.559 -5.877 1.744 1.00 0.49 H new ATOM 0 HA ILE A 123 1.435 -5.406 3.535 1.00 0.48 H new ATOM 0 HB ILE A 123 1.611 -5.398 0.496 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.453 -3.222 2.616 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.908 -3.705 1.766 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.565 -4.279 0.496 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.685 -5.933 1.141 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.707 -4.542 2.251 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.973 -1.666 0.814 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.913 -2.995 -0.369 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.436 -2.504 0.494 1.00 0.44 H new ATOM 2054 N TYR A 124 1.227 -8.074 1.666 1.00 0.52 N ATOM 2055 CA TYR A 124 0.747 -9.447 1.547 1.00 0.58 C ATOM 2056 C TYR A 124 1.347 -10.332 2.639 1.00 0.64 C ATOM 2057 O TYR A 124 1.283 -11.553 2.532 1.00 0.82 O ATOM 2058 CB TYR A 124 1.065 -10.021 0.165 1.00 0.59 C ATOM 2059 CG TYR A 124 0.017 -9.702 -0.879 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.115 -8.422 -1.396 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -0.839 -10.691 -1.350 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.069 -8.136 -2.354 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -1.797 -10.410 -2.307 1.00 1.28 C ATOM 2064 CZ TYR A 124 -1.905 -9.130 -2.807 1.00 0.95 C ATOM 2065 OH TYR A 124 -2.854 -8.846 -3.763 1.00 1.17 O ATOM 0 H TYR A 124 1.944 -7.845 0.977 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.336 -9.431 1.672 1.00 0.58 H new ATOM 0 HB2 TYR A 124 2.028 -9.633 -0.168 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.168 -11.103 0.245 1.00 0.59 H new ATOM 0 HD1 TYR A 124 0.538 -7.637 -1.045 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -0.754 -11.695 -0.962 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -1.158 -7.134 -2.746 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -2.457 -11.189 -2.660 1.00 1.28 H new ATOM 0 HH TYR A 124 -3.360 -9.658 -3.973 1.00 1.17 H new ATOM 2075 N GLY A 125 1.749 -9.682 3.738 1.00 0.73 N ATOM 2076 CA GLY A 125 2.859 -10.035 4.656 1.00 0.86 C ATOM 2077 C GLY A 125 3.474 -11.430 4.585 1.00 0.71 C ATOM 2078 O GLY A 125 3.852 -11.987 5.619 1.00 0.78 O ATOM 0 H GLY A 125 1.276 -8.830 4.039 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.661 -9.315 4.492 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.501 -9.887 5.675 1.00 0.86 H new ATOM 2082 N VAL A 126 3.514 -11.995 3.386 1.00 0.71 N ATOM 2083 CA VAL A 126 4.255 -13.221 3.076 1.00 0.84 C ATOM 2084 C VAL A 126 5.501 -13.345 3.948 1.00 0.99 C ATOM 2085 O VAL A 126 5.655 -14.320 4.688 1.00 1.53 O ATOM 2086 CB VAL A 126 4.727 -13.230 1.601 1.00 0.93 C ATOM 2087 CG1 VAL A 126 5.141 -14.627 1.176 1.00 1.38 C ATOM 2088 CG2 VAL A 126 3.662 -12.669 0.665 1.00 0.98 C ATOM 0 H VAL A 126 3.023 -11.609 2.580 1.00 0.71 H new ATOM 0 HA VAL A 126 3.573 -14.051 3.264 1.00 0.84 H new ATOM 0 HB VAL A 126 5.598 -12.578 1.531 1.00 0.93 H new ATOM 0 HG11 VAL A 126 5.469 -14.609 0.137 1.00 1.38 H new ATOM 0 HG12 VAL A 126 5.959 -14.972 1.808 1.00 1.38 H new ATOM 0 HG13 VAL A 126 4.293 -15.304 1.277 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.030 -12.692 -0.361 1.00 0.98 H new ATOM 0 HG22 VAL A 126 2.758 -13.273 0.739 1.00 0.98 H new ATOM 0 HG23 VAL A 126 3.436 -11.641 0.946 1.00 0.98 H new ATOM 2098 N HIS A 127 6.368 -12.336 3.862 1.00 1.01 N ATOM 2099 CA HIS A 127 7.593 -12.288 4.653 1.00 1.16 C ATOM 2100 C HIS A 127 8.460 -13.515 4.365 1.00 1.46 C ATOM 2101 O HIS A 127 8.831 -14.275 5.261 1.00 2.24 O ATOM 2102 CB HIS A 127 7.250 -12.165 6.147 1.00 1.47 C ATOM 2103 CG HIS A 127 8.442 -12.015 7.048 1.00 1.86 C ATOM 2104 ND1 HIS A 127 8.793 -12.956 7.990 1.00 2.31 N ATOM 2105 CD2 HIS A 127 9.349 -11.018 7.161 1.00 2.47 C ATOM 2106 CE1 HIS A 127 9.859 -12.546 8.643 1.00 2.66 C ATOM 2107 NE2 HIS A 127 10.223 -11.372 8.160 1.00 2.77 N ATOM 0 H HIS A 127 6.240 -11.534 3.245 1.00 1.01 H new ATOM 0 HA HIS A 127 8.171 -11.408 4.372 1.00 1.16 H new ATOM 0 HB2 HIS A 127 6.594 -11.306 6.287 1.00 1.47 H new ATOM 0 HB3 HIS A 127 6.688 -13.048 6.452 1.00 1.47 H new ATOM 0 HD2 HIS A 127 9.380 -10.112 6.575 1.00 2.47 H new ATOM 0 HE1 HIS A 127 10.354 -13.080 9.441 1.00 2.66 H new ATOM 0 HE2 HIS A 127 11.020 -10.820 8.476 1.00 2.77 H new ATOM 2116 N THR A 128 8.756 -13.700 3.089 1.00 1.60 N ATOM 2117 CA THR A 128 9.619 -14.773 2.640 1.00 2.21 C ATOM 2118 C THR A 128 10.684 -14.210 1.706 1.00 2.87 C ATOM 2119 O THR A 128 10.450 -14.037 0.506 1.00 3.63 O ATOM 2120 CB THR A 128 8.823 -15.877 1.914 1.00 2.81 C ATOM 2121 OG1 THR A 128 7.763 -16.364 2.752 1.00 3.28 O ATOM 2122 CG2 THR A 128 9.734 -17.030 1.530 1.00 3.47 C ATOM 0 H THR A 128 8.403 -13.108 2.337 1.00 1.60 H new ATOM 0 HA THR A 128 10.087 -15.220 3.517 1.00 2.21 H new ATOM 0 HB THR A 128 8.396 -15.445 1.009 1.00 2.81 H new ATOM 0 HG1 THR A 128 7.254 -17.049 2.270 1.00 3.28 H new ATOM 0 HG21 THR A 128 9.153 -17.798 1.019 1.00 3.47 H new ATOM 0 HG22 THR A 128 10.519 -16.668 0.867 1.00 3.47 H new ATOM 0 HG23 THR A 128 10.184 -17.453 2.428 1.00 3.47 H new ATOM 2130 N SER A 129 11.832 -13.882 2.270 1.00 3.24 N ATOM 2131 CA SER A 129 12.922 -13.301 1.511 1.00 4.34 C ATOM 2132 C SER A 129 13.976 -14.361 1.216 1.00 4.97 C ATOM 2133 O SER A 129 14.636 -14.826 2.170 1.00 5.24 O ATOM 2134 CB SER A 129 13.529 -12.137 2.295 1.00 5.03 C ATOM 2135 OG SER A 129 12.517 -11.237 2.724 1.00 5.11 O ATOM 2136 OXT SER A 129 14.130 -14.739 0.036 1.00 5.56 O ATOM 0 H SER A 129 12.034 -14.010 3.262 1.00 3.24 H new ATOM 0 HA SER A 129 12.542 -12.923 0.562 1.00 4.34 H new ATOM 0 HB2 SER A 129 14.073 -12.519 3.159 1.00 5.03 H new ATOM 0 HB3 SER A 129 14.251 -11.610 1.671 1.00 5.03 H new ATOM 0 HG SER A 129 12.925 -10.500 3.225 1.00 5.11 H new TER 2142 SER A 129