USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 684 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 52 SER OG : rot -177:sc= 1.67 USER MOD Set 1.2: A 65 THR OG1 : rot -64:sc= 0.636 USER MOD Set 2.1: A 41 CYS SG : rot -114:sc= 0.476 USER MOD Set 2.2: A 44 CYS SG : rot 123:sc= -0.871! USER MOD Set 2.3: A 67 CYS SG : rot -147:sc= -5.95! USER MOD Set 3.1: A 1 SER OG : rot 180:sc= -0.0742 USER MOD Set 3.2: A 2 HIS : no HD1:sc= 0.428 K(o=0.35,f=-2.6!) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.108 (180deg=0) USER MOD Single : A 3 MET CE :methyl -161:sc= -0.105 (180deg=-0.521) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -160:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.9!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 58:sc= 0.213 USER MOD Single : A 22 GLN : amide:sc= -0.231 K(o=-0.23,f=-7.6!) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0.483 (180deg=0.47) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.12) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0201) USER MOD Single : A 39 TYR OH : rot 3:sc= 0.53 USER MOD Single : A 42 HIS : no HE2:sc=-0.000621 K(o=-0.00062,f=-1.9!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -137:sc= -0.176 (180deg=-1.86) USER MOD Single : A 62 SER OG : rot 101:sc= -0.755 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc=-0.00686 (180deg=-0.174) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0298) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.428 2.245 27.938 1.00 22.31 N ATOM 2 CA SER A 1 -13.053 3.472 28.668 1.00 72.13 C ATOM 3 C SER A 1 -12.092 4.318 27.810 1.00 31.23 C ATOM 4 O SER A 1 -11.547 3.828 26.810 1.00 61.42 O ATOM 5 CB SER A 1 -12.413 3.116 30.034 1.00 11.30 C ATOM 6 OG SER A 1 -12.080 4.280 30.775 1.00 30.33 O ATOM 0 H1 SER A 1 -14.449 2.256 27.742 1.00 22.31 H new ATOM 0 H2 SER A 1 -12.904 2.201 27.041 1.00 22.31 H new ATOM 0 H3 SER A 1 -13.195 1.412 28.516 1.00 22.31 H new ATOM 0 HA SER A 1 -13.950 4.059 28.863 1.00 72.13 H new ATOM 0 HB2 SER A 1 -13.104 2.502 30.611 1.00 11.30 H new ATOM 0 HB3 SER A 1 -11.516 2.519 29.871 1.00 11.30 H new ATOM 0 HG SER A 1 -11.680 4.020 31.631 1.00 30.33 H new ATOM 14 N HIS A 2 -11.897 5.587 28.229 1.00 31.05 N ATOM 15 CA HIS A 2 -10.996 6.556 27.565 1.00 64.22 C ATOM 16 C HIS A 2 -9.525 6.104 27.638 1.00 1.12 C ATOM 17 O HIS A 2 -8.739 6.370 26.722 1.00 11.14 O ATOM 18 CB HIS A 2 -11.170 7.960 28.213 1.00 3.03 C ATOM 19 CG HIS A 2 -10.909 8.003 29.704 1.00 41.34 C ATOM 20 ND1 HIS A 2 -11.737 7.355 30.590 1.00 4.23 N ATOM 21 CD2 HIS A 2 -9.920 8.618 30.401 1.00 11.15 C ATOM 22 CE1 HIS A 2 -11.235 7.583 31.789 1.00 71.43 C ATOM 23 NE2 HIS A 2 -10.137 8.344 31.726 1.00 65.14 N ATOM 0 H HIS A 2 -12.367 5.973 29.048 1.00 31.05 H new ATOM 0 HA HIS A 2 -11.267 6.609 26.511 1.00 64.22 H new ATOM 0 HB2 HIS A 2 -10.496 8.660 27.719 1.00 3.03 H new ATOM 0 HB3 HIS A 2 -12.185 8.309 28.025 1.00 3.03 H new ATOM 0 HD2 HIS A 2 -9.116 9.210 29.990 1.00 11.15 H new ATOM 0 HE1 HIS A 2 -11.658 7.202 32.707 1.00 71.43 H new ATOM 0 HE2 HIS A 2 -9.570 8.660 32.513 1.00 65.14 H new ATOM 31 N MET A 3 -9.171 5.421 28.738 1.00 61.11 N ATOM 32 CA MET A 3 -7.811 4.910 28.981 1.00 10.15 C ATOM 33 C MET A 3 -7.658 3.496 28.390 1.00 3.33 C ATOM 34 O MET A 3 -8.460 2.606 28.697 1.00 4.32 O ATOM 35 CB MET A 3 -7.518 4.904 30.508 1.00 55.12 C ATOM 36 CG MET A 3 -6.111 4.409 30.895 1.00 42.30 C ATOM 37 SD MET A 3 -5.794 4.526 32.672 1.00 61.23 S ATOM 38 CE MET A 3 -5.880 6.298 32.950 1.00 71.04 C ATOM 0 H MET A 3 -9.825 5.206 29.490 1.00 61.11 H new ATOM 0 HA MET A 3 -7.090 5.563 28.489 1.00 10.15 H new ATOM 0 HB2 MET A 3 -7.651 5.915 30.893 1.00 55.12 H new ATOM 0 HB3 MET A 3 -8.258 4.275 31.003 1.00 55.12 H new ATOM 0 HG2 MET A 3 -5.995 3.373 30.577 1.00 42.30 H new ATOM 0 HG3 MET A 3 -5.364 4.993 30.358 1.00 42.30 H new ATOM 0 HE1 MET A 3 -5.385 6.543 33.890 1.00 71.04 H new ATOM 0 HE2 MET A 3 -5.383 6.819 32.132 1.00 71.04 H new ATOM 0 HE3 MET A 3 -6.924 6.609 32.998 1.00 71.04 H new ATOM 48 N SER A 4 -6.633 3.301 27.539 1.00 71.32 N ATOM 49 CA SER A 4 -6.316 1.996 26.924 1.00 22.33 C ATOM 50 C SER A 4 -4.785 1.799 26.902 1.00 42.30 C ATOM 51 O SER A 4 -4.145 1.824 25.843 1.00 44.24 O ATOM 52 CB SER A 4 -6.930 1.910 25.499 1.00 1.35 C ATOM 53 OG SER A 4 -8.324 2.198 25.507 1.00 53.43 O ATOM 0 H SER A 4 -5.998 4.047 27.257 1.00 71.32 H new ATOM 0 HA SER A 4 -6.754 1.192 27.515 1.00 22.33 H new ATOM 0 HB2 SER A 4 -6.418 2.610 24.839 1.00 1.35 H new ATOM 0 HB3 SER A 4 -6.767 0.912 25.092 1.00 1.35 H new ATOM 0 HG SER A 4 -8.676 2.136 24.595 1.00 53.43 H new ATOM 59 N GLY A 5 -4.199 1.653 28.102 1.00 2.53 N ATOM 60 CA GLY A 5 -2.758 1.433 28.266 1.00 22.12 C ATOM 61 C GLY A 5 -2.434 -0.025 28.579 1.00 10.10 C ATOM 62 O GLY A 5 -2.601 -0.464 29.724 1.00 22.24 O ATOM 0 H GLY A 5 -4.713 1.685 28.983 1.00 2.53 H new ATOM 0 HA2 GLY A 5 -2.240 1.732 27.355 1.00 22.12 H new ATOM 0 HA3 GLY A 5 -2.383 2.068 29.069 1.00 22.12 H new ATOM 66 N GLY A 6 -2.019 -0.784 27.551 1.00 34.23 N ATOM 67 CA GLY A 6 -1.587 -2.179 27.708 1.00 53.53 C ATOM 68 C GLY A 6 -1.788 -3.012 26.445 1.00 42.23 C ATOM 69 O GLY A 6 -1.807 -4.243 26.510 1.00 13.43 O ATOM 0 H GLY A 6 -1.974 -0.446 26.590 1.00 34.23 H new ATOM 0 HA2 GLY A 6 -0.533 -2.198 27.985 1.00 53.53 H new ATOM 0 HA3 GLY A 6 -2.141 -2.635 28.529 1.00 53.53 H new ATOM 73 N SER A 7 -1.930 -2.334 25.294 1.00 0.21 N ATOM 74 CA SER A 7 -2.174 -2.979 23.991 1.00 32.01 C ATOM 75 C SER A 7 -0.845 -3.482 23.374 1.00 32.24 C ATOM 76 O SER A 7 0.218 -2.951 23.703 1.00 10.54 O ATOM 77 CB SER A 7 -2.854 -1.958 23.047 1.00 34.34 C ATOM 78 OG SER A 7 -2.013 -0.839 22.820 1.00 44.22 O ATOM 0 H SER A 7 -1.879 -1.317 25.240 1.00 0.21 H new ATOM 0 HA SER A 7 -2.826 -3.841 24.130 1.00 32.01 H new ATOM 0 HB2 SER A 7 -3.092 -2.437 22.097 1.00 34.34 H new ATOM 0 HB3 SER A 7 -3.797 -1.627 23.482 1.00 34.34 H new ATOM 0 HG SER A 7 -2.551 -0.084 22.502 1.00 44.22 H new ATOM 84 N PRO A 8 -0.875 -4.501 22.456 1.00 13.14 N ATOM 85 CA PRO A 8 0.343 -5.013 21.787 1.00 20.53 C ATOM 86 C PRO A 8 0.699 -4.236 20.496 1.00 52.41 C ATOM 87 O PRO A 8 1.469 -4.735 19.662 1.00 50.22 O ATOM 88 CB PRO A 8 -0.064 -6.473 21.492 1.00 55.12 C ATOM 89 CG PRO A 8 -1.526 -6.385 21.147 1.00 13.44 C ATOM 90 CD PRO A 8 -2.089 -5.257 22.003 1.00 51.15 C ATOM 0 HA PRO A 8 1.245 -4.910 22.391 1.00 20.53 H new ATOM 0 HB2 PRO A 8 0.515 -6.889 20.668 1.00 55.12 H new ATOM 0 HB3 PRO A 8 0.103 -7.116 22.356 1.00 55.12 H new ATOM 0 HG2 PRO A 8 -1.665 -6.177 20.086 1.00 13.44 H new ATOM 0 HG3 PRO A 8 -2.034 -7.326 21.357 1.00 13.44 H new ATOM 0 HD2 PRO A 8 -2.764 -4.621 21.431 1.00 51.15 H new ATOM 0 HD3 PRO A 8 -2.657 -5.644 22.849 1.00 51.15 H new ATOM 98 N LEU A 9 0.155 -3.002 20.364 1.00 14.21 N ATOM 99 CA LEU A 9 0.371 -2.125 19.192 1.00 52.01 C ATOM 100 C LEU A 9 1.851 -1.743 19.055 1.00 54.52 C ATOM 101 O LEU A 9 2.390 -1.692 17.942 1.00 70.33 O ATOM 102 CB LEU A 9 -0.497 -0.840 19.301 1.00 23.01 C ATOM 103 CG LEU A 9 -2.042 -1.052 19.333 1.00 15.32 C ATOM 104 CD1 LEU A 9 -2.789 0.294 19.496 1.00 65.55 C ATOM 105 CD2 LEU A 9 -2.523 -1.829 18.088 1.00 43.21 C ATOM 0 H LEU A 9 -0.449 -2.587 21.073 1.00 14.21 H new ATOM 0 HA LEU A 9 0.072 -2.680 18.303 1.00 52.01 H new ATOM 0 HB2 LEU A 9 -0.206 -0.306 20.205 1.00 23.01 H new ATOM 0 HB3 LEU A 9 -0.258 -0.193 18.457 1.00 23.01 H new ATOM 0 HG LEU A 9 -2.280 -1.660 20.206 1.00 15.32 H new ATOM 0 HD11 LEU A 9 -3.864 0.114 19.515 1.00 65.55 H new ATOM 0 HD12 LEU A 9 -2.484 0.769 20.429 1.00 65.55 H new ATOM 0 HD13 LEU A 9 -2.546 0.949 18.659 1.00 65.55 H new ATOM 0 HD21 LEU A 9 -3.604 -1.962 18.137 1.00 43.21 H new ATOM 0 HD22 LEU A 9 -2.267 -1.269 17.188 1.00 43.21 H new ATOM 0 HD23 LEU A 9 -2.038 -2.805 18.058 1.00 43.21 H new ATOM 117 N ALA A 10 2.482 -1.458 20.202 1.00 1.12 N ATOM 118 CA ALA A 10 3.913 -1.189 20.280 1.00 15.01 C ATOM 119 C ALA A 10 4.681 -2.516 20.202 1.00 52.25 C ATOM 120 O ALA A 10 4.785 -3.242 21.202 1.00 13.11 O ATOM 121 CB ALA A 10 4.247 -0.429 21.576 1.00 53.33 C ATOM 0 H ALA A 10 2.006 -1.409 21.103 1.00 1.12 H new ATOM 0 HA ALA A 10 4.213 -0.559 19.443 1.00 15.01 H new ATOM 0 HB1 ALA A 10 5.319 -0.236 21.619 1.00 53.33 H new ATOM 0 HB2 ALA A 10 3.707 0.518 21.592 1.00 53.33 H new ATOM 0 HB3 ALA A 10 3.952 -1.030 22.436 1.00 53.33 H new ATOM 127 N THR A 11 5.142 -2.863 18.991 1.00 72.43 N ATOM 128 CA THR A 11 6.010 -4.030 18.772 1.00 64.12 C ATOM 129 C THR A 11 7.434 -3.715 19.263 1.00 53.13 C ATOM 130 O THR A 11 7.894 -2.567 19.171 1.00 13.14 O ATOM 131 CB THR A 11 6.031 -4.473 17.259 1.00 4.34 C ATOM 132 OG1 THR A 11 6.933 -5.580 17.073 1.00 2.24 O ATOM 133 CG2 THR A 11 6.425 -3.329 16.301 1.00 73.11 C ATOM 0 H THR A 11 4.925 -2.345 18.139 1.00 72.43 H new ATOM 0 HA THR A 11 5.604 -4.864 19.344 1.00 64.12 H new ATOM 0 HB THR A 11 5.012 -4.771 17.013 1.00 4.34 H new ATOM 0 HG1 THR A 11 6.935 -5.846 16.130 1.00 2.24 H new ATOM 0 HG21 THR A 11 6.421 -3.696 15.275 1.00 73.11 H new ATOM 0 HG22 THR A 11 5.710 -2.512 16.396 1.00 73.11 H new ATOM 0 HG23 THR A 11 7.422 -2.970 16.554 1.00 73.11 H new ATOM 141 N GLY A 12 8.120 -4.743 19.792 1.00 32.11 N ATOM 142 CA GLY A 12 9.511 -4.614 20.234 1.00 65.22 C ATOM 143 C GLY A 12 10.486 -4.544 19.066 1.00 24.14 C ATOM 144 O GLY A 12 10.063 -4.408 17.908 1.00 3.03 O ATOM 0 H GLY A 12 7.727 -5.675 19.922 1.00 32.11 H new ATOM 0 HA2 GLY A 12 9.614 -3.717 20.844 1.00 65.22 H new ATOM 0 HA3 GLY A 12 9.768 -5.462 20.868 1.00 65.22 H new ATOM 148 N THR A 13 11.794 -4.635 19.373 1.00 12.33 N ATOM 149 CA THR A 13 12.868 -4.552 18.369 1.00 52.20 C ATOM 150 C THR A 13 12.820 -5.760 17.403 1.00 13.03 C ATOM 151 O THR A 13 13.439 -6.804 17.648 1.00 55.33 O ATOM 152 CB THR A 13 14.270 -4.452 19.067 1.00 53.43 C ATOM 153 OG1 THR A 13 14.243 -3.399 20.041 1.00 20.21 O ATOM 154 CG2 THR A 13 15.410 -4.182 18.064 1.00 1.52 C ATOM 0 H THR A 13 12.134 -4.768 20.325 1.00 12.33 H new ATOM 0 HA THR A 13 12.712 -3.647 17.781 1.00 52.20 H new ATOM 0 HB THR A 13 14.467 -5.414 19.541 1.00 53.43 H new ATOM 0 HG1 THR A 13 15.117 -3.336 20.479 1.00 20.21 H new ATOM 0 HG21 THR A 13 16.358 -4.122 18.598 1.00 1.52 H new ATOM 0 HG22 THR A 13 15.454 -4.993 17.337 1.00 1.52 H new ATOM 0 HG23 THR A 13 15.224 -3.240 17.547 1.00 1.52 H new ATOM 162 N THR A 14 12.014 -5.618 16.344 1.00 64.13 N ATOM 163 CA THR A 14 11.835 -6.627 15.301 1.00 30.34 C ATOM 164 C THR A 14 11.641 -5.890 13.967 1.00 61.02 C ATOM 165 O THR A 14 10.514 -5.654 13.513 1.00 61.12 O ATOM 166 CB THR A 14 10.626 -7.590 15.616 1.00 72.34 C ATOM 167 OG1 THR A 14 10.777 -8.164 16.931 1.00 30.24 O ATOM 168 CG2 THR A 14 10.506 -8.734 14.588 1.00 45.00 C ATOM 0 H THR A 14 11.457 -4.778 16.188 1.00 64.13 H new ATOM 0 HA THR A 14 12.716 -7.267 15.250 1.00 30.34 H new ATOM 0 HB THR A 14 9.720 -6.986 15.564 1.00 72.34 H new ATOM 0 HG1 THR A 14 10.021 -8.759 17.117 1.00 30.24 H new ATOM 0 HG21 THR A 14 9.659 -9.369 14.848 1.00 45.00 H new ATOM 0 HG22 THR A 14 10.353 -8.315 13.593 1.00 45.00 H new ATOM 0 HG23 THR A 14 11.420 -9.327 14.595 1.00 45.00 H new ATOM 176 N ALA A 15 12.769 -5.430 13.404 1.00 55.42 N ATOM 177 CA ALA A 15 12.803 -4.715 12.123 1.00 34.53 C ATOM 178 C ALA A 15 12.516 -5.683 10.964 1.00 53.42 C ATOM 179 O ALA A 15 13.203 -6.704 10.824 1.00 3.43 O ATOM 180 CB ALA A 15 14.166 -4.026 11.933 1.00 40.14 C ATOM 0 H ALA A 15 13.689 -5.546 13.830 1.00 55.42 H new ATOM 0 HA ALA A 15 12.029 -3.948 12.128 1.00 34.53 H new ATOM 0 HB1 ALA A 15 14.178 -3.499 10.979 1.00 40.14 H new ATOM 0 HB2 ALA A 15 14.330 -3.314 12.742 1.00 40.14 H new ATOM 0 HB3 ALA A 15 14.957 -4.776 11.943 1.00 40.14 H new ATOM 186 N ASN A 16 11.472 -5.386 10.182 1.00 11.10 N ATOM 187 CA ASN A 16 11.160 -6.094 8.930 1.00 43.20 C ATOM 188 C ASN A 16 11.428 -5.147 7.756 1.00 31.04 C ATOM 189 O ASN A 16 10.654 -4.206 7.528 1.00 2.23 O ATOM 190 CB ASN A 16 9.682 -6.589 8.923 1.00 12.15 C ATOM 191 CG ASN A 16 9.230 -7.239 7.598 1.00 60.13 C ATOM 192 OD1 ASN A 16 8.069 -7.118 7.197 1.00 70.22 O ATOM 193 ND2 ASN A 16 10.119 -7.957 6.917 1.00 30.32 N ATOM 0 H ASN A 16 10.812 -4.640 10.401 1.00 11.10 H new ATOM 0 HA ASN A 16 11.794 -6.976 8.840 1.00 43.20 H new ATOM 0 HB2 ASN A 16 9.550 -7.310 9.730 1.00 12.15 H new ATOM 0 HB3 ASN A 16 9.028 -5.744 9.140 1.00 12.15 H new ATOM 0 HD21 ASN A 16 9.845 -8.418 6.049 1.00 30.32 H new ATOM 0 HD22 ASN A 16 11.074 -8.047 7.263 1.00 30.32 H new ATOM 200 N THR A 17 12.547 -5.371 7.043 1.00 31.34 N ATOM 201 CA THR A 17 12.896 -4.610 5.840 1.00 61.01 C ATOM 202 C THR A 17 11.969 -5.047 4.684 1.00 33.31 C ATOM 203 O THR A 17 12.294 -5.947 3.898 1.00 32.20 O ATOM 204 CB THR A 17 14.412 -4.792 5.473 1.00 64.33 C ATOM 205 OG1 THR A 17 15.222 -4.452 6.614 1.00 34.52 O ATOM 206 CG2 THR A 17 14.841 -3.920 4.271 1.00 73.11 C ATOM 0 H THR A 17 13.232 -6.086 7.289 1.00 31.34 H new ATOM 0 HA THR A 17 12.749 -3.546 6.027 1.00 61.01 H new ATOM 0 HB THR A 17 14.555 -5.835 5.190 1.00 64.33 H new ATOM 0 HG1 THR A 17 16.169 -4.566 6.389 1.00 34.52 H new ATOM 0 HG21 THR A 17 15.898 -4.085 4.061 1.00 73.11 H new ATOM 0 HG22 THR A 17 14.250 -4.191 3.396 1.00 73.11 H new ATOM 0 HG23 THR A 17 14.678 -2.869 4.508 1.00 73.11 H new ATOM 214 N ARG A 18 10.769 -4.446 4.659 1.00 41.54 N ATOM 215 CA ARG A 18 9.715 -4.759 3.689 1.00 64.04 C ATOM 216 C ARG A 18 9.011 -3.456 3.297 1.00 34.15 C ATOM 217 O ARG A 18 7.863 -3.182 3.682 1.00 4.54 O ATOM 218 CB ARG A 18 8.733 -5.819 4.265 1.00 30.24 C ATOM 219 CG ARG A 18 7.670 -6.343 3.276 1.00 13.24 C ATOM 220 CD ARG A 18 6.796 -7.456 3.889 1.00 51.30 C ATOM 221 NE ARG A 18 7.599 -8.583 4.420 1.00 71.14 N ATOM 222 CZ ARG A 18 8.202 -9.532 3.669 1.00 43.44 C ATOM 223 NH1 ARG A 18 8.110 -9.520 2.344 1.00 65.14 N ATOM 224 NH2 ARG A 18 8.927 -10.476 4.253 1.00 34.51 N ATOM 0 H ARG A 18 10.503 -3.719 5.323 1.00 41.54 H new ATOM 0 HA ARG A 18 10.146 -5.202 2.791 1.00 64.04 H new ATOM 0 HB2 ARG A 18 9.313 -6.666 4.631 1.00 30.24 H new ATOM 0 HB3 ARG A 18 8.222 -5.387 5.126 1.00 30.24 H new ATOM 0 HG2 ARG A 18 7.033 -5.517 2.960 1.00 13.24 H new ATOM 0 HG3 ARG A 18 8.165 -6.724 2.383 1.00 13.24 H new ATOM 0 HD2 ARG A 18 6.190 -7.036 4.692 1.00 51.30 H new ATOM 0 HD3 ARG A 18 6.107 -7.830 3.132 1.00 51.30 H new ATOM 0 HE ARG A 18 7.705 -8.648 5.432 1.00 71.14 H new ATOM 0 HH11 ARG A 18 7.578 -8.786 1.876 1.00 65.14 H new ATOM 0 HH12 ARG A 18 8.572 -10.244 1.794 1.00 65.14 H new ATOM 0 HH21 ARG A 18 9.029 -10.486 5.268 1.00 34.51 H new ATOM 0 HH22 ARG A 18 9.382 -11.192 3.687 1.00 34.51 H new ATOM 238 N GLY A 19 9.776 -2.605 2.610 1.00 54.14 N ATOM 239 CA GLY A 19 9.251 -1.409 1.975 1.00 42.32 C ATOM 240 C GLY A 19 8.896 -1.693 0.530 1.00 70.03 C ATOM 241 O GLY A 19 9.547 -2.535 -0.111 1.00 21.31 O ATOM 0 H GLY A 19 10.780 -2.732 2.482 1.00 54.14 H new ATOM 0 HA2 GLY A 19 8.368 -1.062 2.512 1.00 42.32 H new ATOM 0 HA3 GLY A 19 9.989 -0.609 2.025 1.00 42.32 H new ATOM 245 N ALA A 20 7.858 -1.010 0.017 1.00 31.41 N ATOM 246 CA ALA A 20 7.444 -1.123 -1.388 1.00 31.24 C ATOM 247 C ALA A 20 8.531 -0.505 -2.295 1.00 51.02 C ATOM 248 O ALA A 20 8.560 0.712 -2.521 1.00 61.44 O ATOM 249 CB ALA A 20 6.064 -0.468 -1.592 1.00 52.34 C ATOM 0 H ALA A 20 7.286 -0.367 0.564 1.00 31.41 H new ATOM 0 HA ALA A 20 7.339 -2.172 -1.664 1.00 31.24 H new ATOM 0 HB1 ALA A 20 5.769 -0.559 -2.637 1.00 52.34 H new ATOM 0 HB2 ALA A 20 5.328 -0.968 -0.963 1.00 52.34 H new ATOM 0 HB3 ALA A 20 6.118 0.586 -1.320 1.00 52.34 H new ATOM 255 N SER A 21 9.456 -1.373 -2.756 1.00 52.12 N ATOM 256 CA SER A 21 10.689 -0.978 -3.476 1.00 30.33 C ATOM 257 C SER A 21 10.447 -0.812 -4.992 1.00 4.12 C ATOM 258 O SER A 21 11.112 -1.447 -5.832 1.00 32.11 O ATOM 259 CB SER A 21 11.798 -2.014 -3.187 1.00 3.00 C ATOM 260 OG SER A 21 12.075 -2.101 -1.795 1.00 30.32 O ATOM 0 H SER A 21 9.368 -2.382 -2.638 1.00 52.12 H new ATOM 0 HA SER A 21 11.008 -0.001 -3.113 1.00 30.33 H new ATOM 0 HB2 SER A 21 11.492 -2.991 -3.561 1.00 3.00 H new ATOM 0 HB3 SER A 21 12.705 -1.738 -3.724 1.00 3.00 H new ATOM 0 HG SER A 21 11.254 -2.332 -1.312 1.00 30.32 H new ATOM 266 N GLN A 22 9.506 0.080 -5.317 1.00 62.20 N ATOM 267 CA GLN A 22 9.178 0.477 -6.685 1.00 4.01 C ATOM 268 C GLN A 22 8.418 1.799 -6.569 1.00 11.13 C ATOM 269 O GLN A 22 7.229 1.819 -6.223 1.00 33.52 O ATOM 270 CB GLN A 22 8.362 -0.641 -7.409 1.00 2.13 C ATOM 271 CG GLN A 22 8.366 -0.614 -8.966 1.00 42.21 C ATOM 272 CD GLN A 22 7.333 0.316 -9.627 1.00 50.40 C ATOM 273 OE1 GLN A 22 7.008 1.387 -9.132 1.00 22.22 O ATOM 274 NE2 GLN A 22 6.770 -0.120 -10.746 1.00 73.41 N ATOM 0 H GLN A 22 8.938 0.557 -4.616 1.00 62.20 H new ATOM 0 HA GLN A 22 10.068 0.615 -7.299 1.00 4.01 H new ATOM 0 HB2 GLN A 22 8.748 -1.608 -7.085 1.00 2.13 H new ATOM 0 HB3 GLN A 22 7.328 -0.580 -7.070 1.00 2.13 H new ATOM 0 HG2 GLN A 22 9.360 -0.318 -9.302 1.00 42.21 H new ATOM 0 HG3 GLN A 22 8.196 -1.628 -9.328 1.00 42.21 H new ATOM 0 HE21 GLN A 22 7.053 -1.015 -11.144 1.00 73.41 H new ATOM 0 HE22 GLN A 22 6.054 0.440 -11.208 1.00 73.41 H new ATOM 283 N LYS A 23 9.132 2.910 -6.804 1.00 24.32 N ATOM 284 CA LYS A 23 8.633 4.260 -6.517 1.00 31.41 C ATOM 285 C LYS A 23 7.935 4.889 -7.732 1.00 44.33 C ATOM 286 O LYS A 23 8.408 5.874 -8.313 1.00 12.40 O ATOM 287 CB LYS A 23 9.789 5.141 -5.969 1.00 11.22 C ATOM 288 CG LYS A 23 10.334 4.680 -4.591 1.00 52.13 C ATOM 289 CD LYS A 23 11.454 5.596 -4.045 1.00 40.32 C ATOM 290 CE LYS A 23 12.764 5.471 -4.839 1.00 10.21 C ATOM 291 NZ LYS A 23 13.393 4.135 -4.658 1.00 52.21 N ATOM 0 H LYS A 23 10.072 2.896 -7.199 1.00 24.32 H new ATOM 0 HA LYS A 23 7.866 4.191 -5.745 1.00 31.41 H new ATOM 0 HB2 LYS A 23 10.606 5.140 -6.690 1.00 11.22 H new ATOM 0 HB3 LYS A 23 9.439 6.170 -5.884 1.00 11.22 H new ATOM 0 HG2 LYS A 23 9.514 4.652 -3.874 1.00 52.13 H new ATOM 0 HG3 LYS A 23 10.715 3.663 -4.680 1.00 52.13 H new ATOM 0 HD2 LYS A 23 11.116 6.632 -4.072 1.00 40.32 H new ATOM 0 HD3 LYS A 23 11.642 5.349 -3.000 1.00 40.32 H new ATOM 0 HE2 LYS A 23 12.565 5.639 -5.897 1.00 10.21 H new ATOM 0 HE3 LYS A 23 13.459 6.247 -4.518 1.00 10.21 H new ATOM 0 HZ1 LYS A 23 14.299 4.106 -5.167 1.00 52.21 H new ATOM 0 HZ2 LYS A 23 13.559 3.964 -3.646 1.00 52.21 H new ATOM 0 HZ3 LYS A 23 12.761 3.400 -5.034 1.00 52.21 H new ATOM 305 N LYS A 24 6.797 4.282 -8.124 1.00 70.12 N ATOM 306 CA LYS A 24 5.831 4.913 -9.045 1.00 61.42 C ATOM 307 C LYS A 24 4.975 5.954 -8.293 1.00 53.22 C ATOM 308 O LYS A 24 4.205 6.701 -8.903 1.00 73.34 O ATOM 309 CB LYS A 24 4.933 3.852 -9.717 1.00 1.51 C ATOM 310 CG LYS A 24 4.070 3.028 -8.738 1.00 54.35 C ATOM 311 CD LYS A 24 3.162 2.034 -9.483 1.00 42.42 C ATOM 312 CE LYS A 24 2.262 1.220 -8.554 1.00 31.54 C ATOM 313 NZ LYS A 24 1.344 0.350 -9.326 1.00 15.12 N ATOM 0 H LYS A 24 6.523 3.349 -7.815 1.00 70.12 H new ATOM 0 HA LYS A 24 6.390 5.424 -9.829 1.00 61.42 H new ATOM 0 HB2 LYS A 24 4.276 4.350 -10.430 1.00 1.51 H new ATOM 0 HB3 LYS A 24 5.563 3.170 -10.288 1.00 1.51 H new ATOM 0 HG2 LYS A 24 4.718 2.485 -8.050 1.00 54.35 H new ATOM 0 HG3 LYS A 24 3.458 3.700 -8.137 1.00 54.35 H new ATOM 0 HD2 LYS A 24 2.540 2.582 -10.191 1.00 42.42 H new ATOM 0 HD3 LYS A 24 3.782 1.352 -10.065 1.00 42.42 H new ATOM 0 HE2 LYS A 24 2.876 0.609 -7.892 1.00 31.54 H new ATOM 0 HE3 LYS A 24 1.684 1.893 -7.921 1.00 31.54 H new ATOM 0 HZ1 LYS A 24 0.585 0.007 -8.703 1.00 15.12 H new ATOM 0 HZ2 LYS A 24 0.929 0.893 -10.110 1.00 15.12 H new ATOM 0 HZ3 LYS A 24 1.872 -0.461 -9.707 1.00 15.12 H new ATOM 327 N GLY A 25 5.108 5.973 -6.950 1.00 51.11 N ATOM 328 CA GLY A 25 4.621 7.062 -6.104 1.00 31.52 C ATOM 329 C GLY A 25 5.733 8.076 -5.838 1.00 32.11 C ATOM 330 O GLY A 25 5.791 8.683 -4.763 1.00 51.41 O ATOM 0 H GLY A 25 5.561 5.224 -6.427 1.00 51.11 H new ATOM 0 HA2 GLY A 25 3.779 7.557 -6.588 1.00 31.52 H new ATOM 0 HA3 GLY A 25 4.255 6.660 -5.159 1.00 31.52 H new ATOM 334 N GLY A 26 6.626 8.246 -6.850 1.00 23.34 N ATOM 335 CA GLY A 26 7.742 9.190 -6.793 1.00 33.51 C ATOM 336 C GLY A 26 7.305 10.625 -7.019 1.00 53.11 C ATOM 337 O GLY A 26 8.055 11.568 -6.726 1.00 5.22 O ATOM 0 H GLY A 26 6.579 7.724 -7.725 1.00 23.34 H new ATOM 0 HA2 GLY A 26 8.230 9.112 -5.822 1.00 33.51 H new ATOM 0 HA3 GLY A 26 8.483 8.917 -7.545 1.00 33.51 H new ATOM 341 N GLU A 27 6.089 10.775 -7.565 1.00 20.01 N ATOM 342 CA GLU A 27 5.419 12.064 -7.741 1.00 73.33 C ATOM 343 C GLU A 27 5.143 12.703 -6.355 1.00 3.41 C ATOM 344 O GLU A 27 4.473 12.083 -5.523 1.00 32.32 O ATOM 345 CB GLU A 27 4.112 11.843 -8.555 1.00 14.33 C ATOM 346 CG GLU A 27 4.381 11.390 -10.015 1.00 1.34 C ATOM 347 CD GLU A 27 3.250 10.552 -10.626 1.00 71.01 C ATOM 348 OE1 GLU A 27 2.252 11.130 -11.111 1.00 31.40 O ATOM 349 OE2 GLU A 27 3.346 9.302 -10.606 1.00 44.30 O ATOM 0 H GLU A 27 5.537 9.986 -7.902 1.00 20.01 H new ATOM 0 HA GLU A 27 6.053 12.755 -8.296 1.00 73.33 H new ATOM 0 HB2 GLU A 27 3.500 11.093 -8.054 1.00 14.33 H new ATOM 0 HB3 GLU A 27 3.536 12.768 -8.567 1.00 14.33 H new ATOM 0 HG2 GLU A 27 4.541 12.272 -10.635 1.00 1.34 H new ATOM 0 HG3 GLU A 27 5.304 10.810 -10.041 1.00 1.34 H new ATOM 356 N PRO A 28 5.693 13.940 -6.083 1.00 51.32 N ATOM 357 CA PRO A 28 5.528 14.658 -4.777 1.00 44.21 C ATOM 358 C PRO A 28 4.052 15.112 -4.538 1.00 54.10 C ATOM 359 O PRO A 28 3.177 14.744 -5.332 1.00 63.44 O ATOM 360 CB PRO A 28 6.525 15.865 -4.928 1.00 43.13 C ATOM 361 CG PRO A 28 7.388 15.538 -6.108 1.00 34.30 C ATOM 362 CD PRO A 28 6.508 14.749 -7.031 1.00 63.02 C ATOM 0 HA PRO A 28 5.743 14.039 -3.906 1.00 44.21 H new ATOM 0 HB2 PRO A 28 5.986 16.800 -5.085 1.00 43.13 H new ATOM 0 HB3 PRO A 28 7.126 15.991 -4.027 1.00 43.13 H new ATOM 0 HG2 PRO A 28 7.754 16.444 -6.591 1.00 34.30 H new ATOM 0 HG3 PRO A 28 8.263 14.961 -5.808 1.00 34.30 H new ATOM 0 HD2 PRO A 28 5.887 15.395 -7.651 1.00 63.02 H new ATOM 0 HD3 PRO A 28 7.088 14.120 -7.707 1.00 63.02 H new ATOM 370 N PRO A 29 3.713 15.880 -3.433 1.00 14.10 N ATOM 371 CA PRO A 29 2.340 16.440 -3.238 1.00 61.22 C ATOM 372 C PRO A 29 2.003 17.620 -4.202 1.00 2.24 C ATOM 373 O PRO A 29 1.588 18.703 -3.755 1.00 72.03 O ATOM 374 CB PRO A 29 2.331 16.892 -1.736 1.00 74.32 C ATOM 375 CG PRO A 29 3.584 16.320 -1.128 1.00 73.54 C ATOM 376 CD PRO A 29 4.575 16.189 -2.255 1.00 63.25 C ATOM 0 HA PRO A 29 1.572 15.701 -3.469 1.00 61.22 H new ATOM 0 HB2 PRO A 29 2.318 17.979 -1.655 1.00 74.32 H new ATOM 0 HB3 PRO A 29 1.443 16.523 -1.222 1.00 74.32 H new ATOM 0 HG2 PRO A 29 3.969 16.972 -0.344 1.00 73.54 H new ATOM 0 HG3 PRO A 29 3.387 15.352 -0.668 1.00 73.54 H new ATOM 0 HD2 PRO A 29 5.142 17.108 -2.401 1.00 63.25 H new ATOM 0 HD3 PRO A 29 5.298 15.395 -2.066 1.00 63.25 H new ATOM 384 N ALA A 30 2.173 17.394 -5.527 1.00 20.11 N ATOM 385 CA ALA A 30 1.745 18.333 -6.580 1.00 11.23 C ATOM 386 C ALA A 30 0.224 18.477 -6.517 1.00 51.11 C ATOM 387 O ALA A 30 -0.323 19.588 -6.482 1.00 30.33 O ATOM 388 CB ALA A 30 2.197 17.818 -7.958 1.00 42.52 C ATOM 0 H ALA A 30 2.614 16.550 -5.892 1.00 20.11 H new ATOM 0 HA ALA A 30 2.202 19.310 -6.424 1.00 11.23 H new ATOM 0 HB1 ALA A 30 1.877 18.517 -8.731 1.00 42.52 H new ATOM 0 HB2 ALA A 30 3.283 17.730 -7.975 1.00 42.52 H new ATOM 0 HB3 ALA A 30 1.751 16.841 -8.146 1.00 42.52 H new ATOM 394 N LEU A 31 -0.440 17.312 -6.493 1.00 23.10 N ATOM 395 CA LEU A 31 -1.851 17.188 -6.134 1.00 21.53 C ATOM 396 C LEU A 31 -1.910 17.197 -4.598 1.00 20.24 C ATOM 397 O LEU A 31 -1.758 16.147 -3.959 1.00 32.41 O ATOM 398 CB LEU A 31 -2.491 15.881 -6.720 1.00 72.34 C ATOM 399 CG LEU A 31 -2.741 15.825 -8.272 1.00 45.14 C ATOM 400 CD1 LEU A 31 -1.442 15.967 -9.087 1.00 2.02 C ATOM 401 CD2 LEU A 31 -3.499 14.532 -8.658 1.00 21.21 C ATOM 0 H LEU A 31 -0.002 16.421 -6.726 1.00 23.10 H new ATOM 0 HA LEU A 31 -2.427 18.012 -6.556 1.00 21.53 H new ATOM 0 HB2 LEU A 31 -1.847 15.043 -6.453 1.00 72.34 H new ATOM 0 HB3 LEU A 31 -3.446 15.721 -6.220 1.00 72.34 H new ATOM 0 HG LEU A 31 -3.363 16.684 -8.524 1.00 45.14 H new ATOM 0 HD11 LEU A 31 -1.673 15.921 -10.151 1.00 2.02 H new ATOM 0 HD12 LEU A 31 -0.972 16.923 -8.859 1.00 2.02 H new ATOM 0 HD13 LEU A 31 -0.760 15.157 -8.829 1.00 2.02 H new ATOM 0 HD21 LEU A 31 -3.662 14.513 -9.736 1.00 21.21 H new ATOM 0 HD22 LEU A 31 -2.909 13.663 -8.365 1.00 21.21 H new ATOM 0 HD23 LEU A 31 -4.461 14.507 -8.146 1.00 21.21 H new ATOM 413 N ILE A 32 -2.010 18.415 -4.031 1.00 42.15 N ATOM 414 CA ILE A 32 -2.020 18.649 -2.574 1.00 30.03 C ATOM 415 C ILE A 32 -3.170 17.859 -1.902 1.00 3.02 C ATOM 416 O ILE A 32 -4.353 18.147 -2.105 1.00 73.03 O ATOM 417 CB ILE A 32 -2.098 20.198 -2.240 1.00 44.40 C ATOM 418 CG1 ILE A 32 -3.274 20.889 -3.012 1.00 70.00 C ATOM 419 CG2 ILE A 32 -0.745 20.897 -2.539 1.00 5.33 C ATOM 420 CD1 ILE A 32 -3.427 22.384 -2.766 1.00 65.53 C ATOM 0 H ILE A 32 -2.087 19.273 -4.577 1.00 42.15 H new ATOM 0 HA ILE A 32 -1.080 18.281 -2.163 1.00 30.03 H new ATOM 0 HB ILE A 32 -2.301 20.299 -1.174 1.00 44.40 H new ATOM 0 HG12 ILE A 32 -3.130 20.727 -4.080 1.00 70.00 H new ATOM 0 HG13 ILE A 32 -4.206 20.395 -2.737 1.00 70.00 H new ATOM 0 HG21 ILE A 32 -0.823 21.958 -2.302 1.00 5.33 H new ATOM 0 HG22 ILE A 32 0.039 20.446 -1.931 1.00 5.33 H new ATOM 0 HG23 ILE A 32 -0.499 20.778 -3.594 1.00 5.33 H new ATOM 0 HD11 ILE A 32 -4.268 22.764 -3.346 1.00 65.53 H new ATOM 0 HD12 ILE A 32 -3.608 22.562 -1.706 1.00 65.53 H new ATOM 0 HD13 ILE A 32 -2.515 22.898 -3.070 1.00 65.53 H new ATOM 432 N VAL A 33 -2.790 16.824 -1.134 1.00 14.50 N ATOM 433 CA VAL A 33 -3.725 15.839 -0.559 1.00 24.00 C ATOM 434 C VAL A 33 -3.682 15.880 0.985 1.00 72.13 C ATOM 435 O VAL A 33 -2.621 16.085 1.590 1.00 75.23 O ATOM 436 CB VAL A 33 -3.401 14.387 -1.094 1.00 1.52 C ATOM 437 CG1 VAL A 33 -1.978 13.919 -0.700 1.00 32.01 C ATOM 438 CG2 VAL A 33 -4.480 13.364 -0.659 1.00 32.41 C ATOM 0 H VAL A 33 -1.815 16.645 -0.892 1.00 14.50 H new ATOM 0 HA VAL A 33 -4.735 16.100 -0.875 1.00 24.00 H new ATOM 0 HB VAL A 33 -3.423 14.442 -2.182 1.00 1.52 H new ATOM 0 HG11 VAL A 33 -1.804 12.916 -1.091 1.00 32.01 H new ATOM 0 HG12 VAL A 33 -1.241 14.605 -1.118 1.00 32.01 H new ATOM 0 HG13 VAL A 33 -1.887 13.906 0.386 1.00 32.01 H new ATOM 0 HG21 VAL A 33 -4.223 12.378 -1.045 1.00 32.41 H new ATOM 0 HG22 VAL A 33 -4.528 13.326 0.429 1.00 32.41 H new ATOM 0 HG23 VAL A 33 -5.449 13.667 -1.054 1.00 32.41 H new ATOM 448 N ASP A 34 -4.859 15.715 1.600 1.00 52.32 N ATOM 449 CA ASP A 34 -5.035 15.615 3.056 1.00 4.23 C ATOM 450 C ASP A 34 -6.210 14.642 3.338 1.00 31.44 C ATOM 451 O ASP A 34 -7.335 15.065 3.626 1.00 55.34 O ATOM 452 CB ASP A 34 -5.228 17.033 3.700 1.00 41.13 C ATOM 453 CG ASP A 34 -6.229 17.947 2.953 1.00 24.33 C ATOM 454 OD1 ASP A 34 -7.445 17.905 3.238 1.00 30.30 O ATOM 455 OD2 ASP A 34 -5.801 18.722 2.071 1.00 10.51 O ATOM 0 H ASP A 34 -5.738 15.645 1.087 1.00 52.32 H new ATOM 0 HA ASP A 34 -4.139 15.209 3.525 1.00 4.23 H new ATOM 0 HB2 ASP A 34 -5.567 16.908 4.728 1.00 41.13 H new ATOM 0 HB3 ASP A 34 -4.261 17.533 3.742 1.00 41.13 H new ATOM 460 N PRO A 35 -5.963 13.291 3.246 1.00 62.23 N ATOM 461 CA PRO A 35 -7.032 12.264 3.269 1.00 40.42 C ATOM 462 C PRO A 35 -7.446 11.826 4.694 1.00 74.31 C ATOM 463 O PRO A 35 -7.864 10.679 4.899 1.00 30.30 O ATOM 464 CB PRO A 35 -6.371 11.110 2.472 1.00 1.51 C ATOM 465 CG PRO A 35 -4.914 11.183 2.836 1.00 71.40 C ATOM 466 CD PRO A 35 -4.616 12.653 3.123 1.00 45.42 C ATOM 0 HA PRO A 35 -7.973 12.622 2.850 1.00 40.42 H new ATOM 0 HB2 PRO A 35 -6.799 10.145 2.743 1.00 1.51 H new ATOM 0 HB3 PRO A 35 -6.518 11.234 1.399 1.00 1.51 H new ATOM 0 HG2 PRO A 35 -4.700 10.566 3.708 1.00 71.40 H new ATOM 0 HG3 PRO A 35 -4.291 10.812 2.022 1.00 71.40 H new ATOM 0 HD2 PRO A 35 -4.037 12.769 4.039 1.00 45.42 H new ATOM 0 HD3 PRO A 35 -4.035 13.105 2.319 1.00 45.42 H new ATOM 474 N LEU A 36 -7.374 12.755 5.671 1.00 4.55 N ATOM 475 CA LEU A 36 -7.781 12.480 7.070 1.00 1.20 C ATOM 476 C LEU A 36 -9.309 12.643 7.261 1.00 12.32 C ATOM 477 O LEU A 36 -9.804 12.556 8.387 1.00 53.15 O ATOM 478 CB LEU A 36 -6.981 13.334 8.112 1.00 22.25 C ATOM 479 CG LEU A 36 -7.155 14.901 8.082 1.00 54.13 C ATOM 480 CD1 LEU A 36 -6.764 15.538 9.439 1.00 62.35 C ATOM 481 CD2 LEU A 36 -6.344 15.548 6.941 1.00 21.22 C ATOM 0 H LEU A 36 -7.037 13.705 5.518 1.00 4.55 H new ATOM 0 HA LEU A 36 -7.529 11.437 7.264 1.00 1.20 H new ATOM 0 HB2 LEU A 36 -7.256 12.987 9.108 1.00 22.25 H new ATOM 0 HB3 LEU A 36 -5.922 13.114 7.980 1.00 22.25 H new ATOM 0 HG LEU A 36 -8.212 15.095 7.898 1.00 54.13 H new ATOM 0 HD11 LEU A 36 -6.895 16.619 9.385 1.00 62.35 H new ATOM 0 HD12 LEU A 36 -7.400 15.134 10.227 1.00 62.35 H new ATOM 0 HD13 LEU A 36 -5.722 15.310 9.661 1.00 62.35 H new ATOM 0 HD21 LEU A 36 -6.492 16.628 6.956 1.00 21.22 H new ATOM 0 HD22 LEU A 36 -5.286 15.325 7.075 1.00 21.22 H new ATOM 0 HD23 LEU A 36 -6.680 15.149 5.984 1.00 21.22 H new ATOM 493 N MET A 37 -10.056 12.899 6.164 1.00 70.03 N ATOM 494 CA MET A 37 -11.528 12.738 6.144 1.00 10.30 C ATOM 495 C MET A 37 -11.840 11.236 5.978 1.00 31.54 C ATOM 496 O MET A 37 -12.357 10.580 6.893 1.00 12.51 O ATOM 497 CB MET A 37 -12.176 13.557 4.984 1.00 24.22 C ATOM 498 CG MET A 37 -12.009 15.075 5.095 1.00 13.24 C ATOM 499 SD MET A 37 -12.849 15.763 6.543 1.00 74.01 S ATOM 500 CE MET A 37 -12.527 17.522 6.352 1.00 42.04 C ATOM 0 H MET A 37 -9.663 13.219 5.279 1.00 70.03 H new ATOM 0 HA MET A 37 -11.947 13.117 7.076 1.00 10.30 H new ATOM 0 HB2 MET A 37 -11.743 13.227 4.040 1.00 24.22 H new ATOM 0 HB3 MET A 37 -13.240 13.325 4.945 1.00 24.22 H new ATOM 0 HG2 MET A 37 -10.948 15.317 5.146 1.00 13.24 H new ATOM 0 HG3 MET A 37 -12.401 15.547 4.194 1.00 13.24 H new ATOM 0 HE1 MET A 37 -12.987 18.068 7.176 1.00 42.04 H new ATOM 0 HE2 MET A 37 -11.451 17.698 6.357 1.00 42.04 H new ATOM 0 HE3 MET A 37 -12.947 17.868 5.408 1.00 42.04 H new ATOM 510 N LYS A 38 -11.482 10.712 4.788 1.00 64.33 N ATOM 511 CA LYS A 38 -11.528 9.280 4.441 1.00 52.13 C ATOM 512 C LYS A 38 -10.281 8.960 3.612 1.00 41.41 C ATOM 513 O LYS A 38 -9.975 9.680 2.654 1.00 33.41 O ATOM 514 CB LYS A 38 -12.813 8.906 3.637 1.00 72.13 C ATOM 515 CG LYS A 38 -14.087 8.801 4.497 1.00 23.02 C ATOM 516 CD LYS A 38 -15.345 8.441 3.676 1.00 1.21 C ATOM 517 CE LYS A 38 -16.565 8.176 4.578 1.00 45.24 C ATOM 518 NZ LYS A 38 -16.912 9.345 5.431 1.00 1.05 N ATOM 0 H LYS A 38 -11.143 11.292 4.020 1.00 64.33 H new ATOM 0 HA LYS A 38 -11.553 8.695 5.360 1.00 52.13 H new ATOM 0 HB2 LYS A 38 -12.973 9.654 2.860 1.00 72.13 H new ATOM 0 HB3 LYS A 38 -12.649 7.954 3.133 1.00 72.13 H new ATOM 0 HG2 LYS A 38 -13.936 8.046 5.269 1.00 23.02 H new ATOM 0 HG3 LYS A 38 -14.253 9.750 5.007 1.00 23.02 H new ATOM 0 HD2 LYS A 38 -15.573 9.254 2.987 1.00 1.21 H new ATOM 0 HD3 LYS A 38 -15.143 7.557 3.071 1.00 1.21 H new ATOM 0 HE2 LYS A 38 -17.422 7.918 3.956 1.00 45.24 H new ATOM 0 HE3 LYS A 38 -16.361 7.315 5.214 1.00 45.24 H new ATOM 0 HZ1 LYS A 38 -17.779 9.138 5.968 1.00 1.05 H new ATOM 0 HZ2 LYS A 38 -16.132 9.536 6.092 1.00 1.05 H new ATOM 0 HZ3 LYS A 38 -17.068 10.179 4.830 1.00 1.05 H new ATOM 532 N TYR A 39 -9.575 7.883 3.972 1.00 35.24 N ATOM 533 CA TYR A 39 -8.298 7.532 3.344 1.00 23.24 C ATOM 534 C TYR A 39 -8.507 7.011 1.910 1.00 34.24 C ATOM 535 O TYR A 39 -9.323 6.117 1.662 1.00 64.21 O ATOM 536 CB TYR A 39 -7.518 6.545 4.237 1.00 61.40 C ATOM 537 CG TYR A 39 -6.925 7.241 5.476 1.00 33.25 C ATOM 538 CD1 TYR A 39 -5.768 8.020 5.360 1.00 23.40 C ATOM 539 CD2 TYR A 39 -7.526 7.164 6.738 1.00 72.11 C ATOM 540 CE1 TYR A 39 -5.231 8.678 6.448 1.00 32.44 C ATOM 541 CE2 TYR A 39 -6.989 7.830 7.827 1.00 44.31 C ATOM 542 CZ TYR A 39 -5.845 8.584 7.676 1.00 34.13 C ATOM 543 OH TYR A 39 -5.308 9.243 8.765 1.00 74.22 O ATOM 0 H TYR A 39 -9.870 7.234 4.702 1.00 35.24 H new ATOM 0 HA TYR A 39 -7.688 8.431 3.251 1.00 23.24 H new ATOM 0 HB2 TYR A 39 -8.181 5.740 4.555 1.00 61.40 H new ATOM 0 HB3 TYR A 39 -6.716 6.087 3.658 1.00 61.40 H new ATOM 0 HD1 TYR A 39 -5.285 8.108 4.398 1.00 23.40 H new ATOM 0 HD2 TYR A 39 -8.423 6.576 6.864 1.00 72.11 H new ATOM 0 HE1 TYR A 39 -4.331 9.265 6.336 1.00 32.44 H new ATOM 0 HE2 TYR A 39 -7.466 7.759 8.793 1.00 44.31 H new ATOM 0 HH TYR A 39 -4.523 9.756 8.482 1.00 74.22 H new ATOM 553 N ILE A 40 -7.774 7.634 0.979 1.00 55.23 N ATOM 554 CA ILE A 40 -7.907 7.437 -0.465 1.00 31.31 C ATOM 555 C ILE A 40 -6.624 6.807 -1.022 1.00 14.14 C ATOM 556 O ILE A 40 -5.513 7.240 -0.688 1.00 14.35 O ATOM 557 CB ILE A 40 -8.187 8.821 -1.176 1.00 3.24 C ATOM 558 CG1 ILE A 40 -9.555 9.410 -0.703 1.00 61.33 C ATOM 559 CG2 ILE A 40 -8.127 8.711 -2.720 1.00 61.40 C ATOM 560 CD1 ILE A 40 -9.916 10.768 -1.285 1.00 60.13 C ATOM 0 H ILE A 40 -7.050 8.310 1.220 1.00 55.23 H new ATOM 0 HA ILE A 40 -8.745 6.767 -0.659 1.00 31.31 H new ATOM 0 HB ILE A 40 -7.393 9.507 -0.882 1.00 3.24 H new ATOM 0 HG12 ILE A 40 -10.344 8.703 -0.959 1.00 61.33 H new ATOM 0 HG13 ILE A 40 -9.540 9.492 0.384 1.00 61.33 H new ATOM 0 HG21 ILE A 40 -8.326 9.687 -3.162 1.00 61.40 H new ATOM 0 HG22 ILE A 40 -7.137 8.371 -3.022 1.00 61.40 H new ATOM 0 HG23 ILE A 40 -8.876 7.998 -3.063 1.00 61.40 H new ATOM 0 HD11 ILE A 40 -10.882 11.086 -0.894 1.00 60.13 H new ATOM 0 HD12 ILE A 40 -9.154 11.497 -1.008 1.00 60.13 H new ATOM 0 HD13 ILE A 40 -9.971 10.695 -2.371 1.00 60.13 H new ATOM 572 N CYS A 41 -6.791 5.776 -1.859 1.00 52.13 N ATOM 573 CA CYS A 41 -5.711 5.225 -2.668 1.00 65.14 C ATOM 574 C CYS A 41 -5.534 6.123 -3.901 1.00 35.42 C ATOM 575 O CYS A 41 -6.447 6.211 -4.727 1.00 23.03 O ATOM 576 CB CYS A 41 -6.021 3.771 -3.062 1.00 31.34 C ATOM 577 SG CYS A 41 -4.727 2.951 -4.056 1.00 41.54 S ATOM 0 H CYS A 41 -7.685 5.303 -1.991 1.00 52.13 H new ATOM 0 HA CYS A 41 -4.780 5.205 -2.101 1.00 65.14 H new ATOM 0 HB2 CYS A 41 -6.183 3.191 -2.154 1.00 31.34 H new ATOM 0 HB3 CYS A 41 -6.955 3.753 -3.623 1.00 31.34 H new ATOM 0 HG CYS A 41 -5.187 2.701 -5.246 1.00 41.54 H new ATOM 582 N HIS A 42 -4.383 6.827 -3.964 1.00 33.30 N ATOM 583 CA HIS A 42 -4.084 7.832 -5.024 1.00 60.31 C ATOM 584 C HIS A 42 -4.227 7.229 -6.443 1.00 14.10 C ATOM 585 O HIS A 42 -4.769 7.869 -7.356 1.00 43.13 O ATOM 586 CB HIS A 42 -2.661 8.430 -4.843 1.00 12.23 C ATOM 587 CG HIS A 42 -2.345 9.555 -5.809 1.00 22.34 C ATOM 588 ND1 HIS A 42 -1.327 9.502 -6.734 1.00 42.11 N ATOM 589 CD2 HIS A 42 -2.935 10.767 -5.985 1.00 64.24 C ATOM 590 CE1 HIS A 42 -1.305 10.620 -7.429 1.00 20.03 C ATOM 591 NE2 HIS A 42 -2.271 11.404 -6.998 1.00 31.44 N ATOM 0 H HIS A 42 -3.630 6.719 -3.284 1.00 33.30 H new ATOM 0 HA HIS A 42 -4.818 8.631 -4.919 1.00 60.31 H new ATOM 0 HB2 HIS A 42 -2.559 8.800 -3.823 1.00 12.23 H new ATOM 0 HB3 HIS A 42 -1.924 7.637 -4.970 1.00 12.23 H new ATOM 0 HD1 HIS A 42 -0.688 8.717 -6.861 1.00 42.11 H new ATOM 0 HD2 HIS A 42 -3.774 11.156 -5.427 1.00 64.24 H new ATOM 0 HE1 HIS A 42 -0.610 10.855 -8.221 1.00 20.03 H new ATOM 600 N ILE A 43 -3.716 5.994 -6.585 1.00 73.11 N ATOM 601 CA ILE A 43 -3.779 5.202 -7.830 1.00 14.11 C ATOM 602 C ILE A 43 -5.248 4.946 -8.261 1.00 74.14 C ATOM 603 O ILE A 43 -5.615 5.141 -9.425 1.00 72.02 O ATOM 604 CB ILE A 43 -3.026 3.826 -7.645 1.00 23.44 C ATOM 605 CG1 ILE A 43 -1.559 4.066 -7.157 1.00 53.23 C ATOM 606 CG2 ILE A 43 -3.045 3.010 -8.960 1.00 71.22 C ATOM 607 CD1 ILE A 43 -0.754 2.804 -6.883 1.00 1.35 C ATOM 0 H ILE A 43 -3.239 5.508 -5.826 1.00 73.11 H new ATOM 0 HA ILE A 43 -3.288 5.777 -8.615 1.00 14.11 H new ATOM 0 HB ILE A 43 -3.548 3.247 -6.883 1.00 23.44 H new ATOM 0 HG12 ILE A 43 -1.035 4.656 -7.909 1.00 53.23 H new ATOM 0 HG13 ILE A 43 -1.589 4.664 -6.246 1.00 53.23 H new ATOM 0 HG21 ILE A 43 -2.521 2.066 -8.810 1.00 71.22 H new ATOM 0 HG22 ILE A 43 -4.077 2.810 -9.249 1.00 71.22 H new ATOM 0 HG23 ILE A 43 -2.551 3.578 -9.748 1.00 71.22 H new ATOM 0 HD11 ILE A 43 0.248 3.076 -6.550 1.00 1.35 H new ATOM 0 HD12 ILE A 43 -1.248 2.219 -6.107 1.00 1.35 H new ATOM 0 HD13 ILE A 43 -0.685 2.211 -7.795 1.00 1.35 H new ATOM 619 N CYS A 44 -6.077 4.548 -7.278 1.00 40.21 N ATOM 620 CA CYS A 44 -7.499 4.197 -7.485 1.00 74.42 C ATOM 621 C CYS A 44 -8.386 5.449 -7.550 1.00 62.04 C ATOM 622 O CYS A 44 -9.519 5.380 -8.035 1.00 5.14 O ATOM 623 CB CYS A 44 -7.958 3.273 -6.337 1.00 33.33 C ATOM 624 SG CYS A 44 -6.813 1.881 -6.070 1.00 64.14 S ATOM 0 H CYS A 44 -5.778 4.459 -6.307 1.00 40.21 H new ATOM 0 HA CYS A 44 -7.597 3.682 -8.440 1.00 74.42 H new ATOM 0 HB2 CYS A 44 -8.042 3.853 -5.418 1.00 33.33 H new ATOM 0 HB3 CYS A 44 -8.952 2.885 -6.561 1.00 33.33 H new ATOM 0 HG CYS A 44 -6.387 1.899 -4.842 1.00 64.14 H new ATOM 629 N ASN A 45 -7.838 6.583 -7.044 1.00 73.31 N ATOM 630 CA ASN A 45 -8.534 7.890 -6.916 1.00 34.03 C ATOM 631 C ASN A 45 -9.728 7.819 -5.932 1.00 70.53 C ATOM 632 O ASN A 45 -10.558 8.730 -5.890 1.00 62.11 O ATOM 633 CB ASN A 45 -8.972 8.431 -8.307 1.00 63.21 C ATOM 634 CG ASN A 45 -7.801 8.579 -9.285 1.00 42.33 C ATOM 635 OD1 ASN A 45 -7.143 9.616 -9.332 1.00 64.33 O ATOM 636 ND2 ASN A 45 -7.535 7.547 -10.072 1.00 45.35 N ATOM 0 H ASN A 45 -6.876 6.615 -6.705 1.00 73.31 H new ATOM 0 HA ASN A 45 -7.819 8.596 -6.494 1.00 34.03 H new ATOM 0 HB2 ASN A 45 -9.714 7.758 -8.736 1.00 63.21 H new ATOM 0 HB3 ASN A 45 -9.456 9.399 -8.179 1.00 63.21 H new ATOM 0 HD21 ASN A 45 -6.766 7.600 -10.740 1.00 45.35 H new ATOM 0 HD22 ASN A 45 -8.099 6.699 -10.010 1.00 45.35 H new ATOM 643 N ARG A 46 -9.762 6.746 -5.106 1.00 31.41 N ATOM 644 CA ARG A 46 -10.851 6.479 -4.141 1.00 21.53 C ATOM 645 C ARG A 46 -10.395 5.467 -3.067 1.00 31.45 C ATOM 646 O ARG A 46 -9.290 4.915 -3.155 1.00 70.43 O ATOM 647 CB ARG A 46 -12.078 5.923 -4.906 1.00 70.32 C ATOM 648 CG ARG A 46 -11.824 4.554 -5.573 1.00 51.11 C ATOM 649 CD ARG A 46 -13.015 4.051 -6.385 1.00 14.42 C ATOM 650 NE ARG A 46 -12.782 2.695 -6.915 1.00 13.54 N ATOM 651 CZ ARG A 46 -12.641 2.374 -8.209 1.00 14.10 C ATOM 652 NH1 ARG A 46 -12.715 3.296 -9.156 1.00 50.43 N ATOM 653 NH2 ARG A 46 -12.403 1.123 -8.545 1.00 54.42 N ATOM 0 H ARG A 46 -9.028 6.038 -5.092 1.00 31.41 H new ATOM 0 HA ARG A 46 -11.118 7.409 -3.638 1.00 21.53 H new ATOM 0 HB2 ARG A 46 -12.915 5.831 -4.214 1.00 70.32 H new ATOM 0 HB3 ARG A 46 -12.374 6.641 -5.671 1.00 70.32 H new ATOM 0 HG2 ARG A 46 -10.954 4.631 -6.225 1.00 51.11 H new ATOM 0 HG3 ARG A 46 -11.582 3.821 -4.803 1.00 51.11 H new ATOM 0 HD2 ARG A 46 -13.907 4.048 -5.759 1.00 14.42 H new ATOM 0 HD3 ARG A 46 -13.207 4.736 -7.211 1.00 14.42 H new ATOM 0 HE ARG A 46 -12.723 1.935 -6.238 1.00 13.54 H new ATOM 0 HH11 ARG A 46 -12.882 4.271 -8.907 1.00 50.43 H new ATOM 0 HH12 ARG A 46 -12.605 3.032 -10.135 1.00 50.43 H new ATOM 0 HH21 ARG A 46 -12.327 0.407 -7.823 1.00 54.42 H new ATOM 0 HH22 ARG A 46 -12.294 0.871 -9.527 1.00 54.42 H new ATOM 667 N GLY A 47 -11.270 5.234 -2.069 1.00 41.15 N ATOM 668 CA GLY A 47 -11.037 4.228 -1.026 1.00 1.33 C ATOM 669 C GLY A 47 -11.087 2.805 -1.575 1.00 41.12 C ATOM 670 O GLY A 47 -10.255 1.967 -1.211 1.00 2.45 O ATOM 0 H GLY A 47 -12.152 5.737 -1.967 1.00 41.15 H new ATOM 0 HA2 GLY A 47 -10.065 4.404 -0.565 1.00 1.33 H new ATOM 0 HA3 GLY A 47 -11.786 4.340 -0.242 1.00 1.33 H new ATOM 674 N ASP A 48 -12.088 2.558 -2.450 1.00 64.13 N ATOM 675 CA ASP A 48 -12.236 1.309 -3.226 1.00 10.25 C ATOM 676 C ASP A 48 -12.446 0.065 -2.311 1.00 0.44 C ATOM 677 O ASP A 48 -13.588 -0.278 -1.983 1.00 45.25 O ATOM 678 CB ASP A 48 -11.044 1.152 -4.217 1.00 12.40 C ATOM 679 CG ASP A 48 -11.100 -0.131 -5.055 1.00 22.45 C ATOM 680 OD1 ASP A 48 -11.854 -0.171 -6.043 1.00 62.31 O ATOM 681 OD2 ASP A 48 -10.368 -1.091 -4.748 1.00 43.34 O ATOM 0 H ASP A 48 -12.828 3.234 -2.639 1.00 64.13 H new ATOM 0 HA ASP A 48 -13.147 1.376 -3.820 1.00 10.25 H new ATOM 0 HB2 ASP A 48 -11.025 2.012 -4.887 1.00 12.40 H new ATOM 0 HB3 ASP A 48 -10.111 1.166 -3.654 1.00 12.40 H new ATOM 686 N VAL A 49 -11.345 -0.588 -1.888 1.00 14.31 N ATOM 687 CA VAL A 49 -11.376 -1.753 -0.988 1.00 63.11 C ATOM 688 C VAL A 49 -10.507 -1.417 0.240 1.00 42.10 C ATOM 689 O VAL A 49 -9.292 -1.620 0.239 1.00 40.15 O ATOM 690 CB VAL A 49 -10.883 -3.074 -1.708 1.00 71.13 C ATOM 691 CG1 VAL A 49 -10.820 -4.261 -0.721 1.00 11.55 C ATOM 692 CG2 VAL A 49 -11.786 -3.429 -2.920 1.00 53.25 C ATOM 0 H VAL A 49 -10.402 -0.317 -2.166 1.00 14.31 H new ATOM 0 HA VAL A 49 -12.402 -1.953 -0.680 1.00 63.11 H new ATOM 0 HB VAL A 49 -9.876 -2.882 -2.078 1.00 71.13 H new ATOM 0 HG11 VAL A 49 -10.478 -5.153 -1.246 1.00 11.55 H new ATOM 0 HG12 VAL A 49 -10.126 -4.027 0.086 1.00 11.55 H new ATOM 0 HG13 VAL A 49 -11.811 -4.442 -0.306 1.00 11.55 H new ATOM 0 HG21 VAL A 49 -11.420 -4.341 -3.392 1.00 53.25 H new ATOM 0 HG22 VAL A 49 -12.810 -3.583 -2.578 1.00 53.25 H new ATOM 0 HG23 VAL A 49 -11.763 -2.613 -3.642 1.00 53.25 H new ATOM 702 N GLU A 50 -11.159 -0.875 1.278 1.00 14.24 N ATOM 703 CA GLU A 50 -10.504 -0.337 2.487 1.00 1.10 C ATOM 704 C GLU A 50 -9.712 -1.428 3.254 1.00 12.33 C ATOM 705 O GLU A 50 -8.705 -1.132 3.907 1.00 5.34 O ATOM 706 CB GLU A 50 -11.585 0.293 3.400 1.00 71.54 C ATOM 707 CG GLU A 50 -11.050 1.038 4.642 1.00 4.31 C ATOM 708 CD GLU A 50 -12.173 1.453 5.607 1.00 44.54 C ATOM 709 OE1 GLU A 50 -12.825 2.486 5.367 1.00 0.20 O ATOM 710 OE2 GLU A 50 -12.433 0.723 6.587 1.00 65.22 O ATOM 0 H GLU A 50 -12.175 -0.795 1.305 1.00 14.24 H new ATOM 0 HA GLU A 50 -9.781 0.420 2.183 1.00 1.10 H new ATOM 0 HB2 GLU A 50 -12.177 0.990 2.806 1.00 71.54 H new ATOM 0 HB3 GLU A 50 -12.260 -0.496 3.733 1.00 71.54 H new ATOM 0 HG2 GLU A 50 -10.341 0.399 5.168 1.00 4.31 H new ATOM 0 HG3 GLU A 50 -10.503 1.925 4.322 1.00 4.31 H new ATOM 717 N GLU A 51 -10.187 -2.687 3.163 1.00 74.44 N ATOM 718 CA GLU A 51 -9.535 -3.852 3.796 1.00 21.03 C ATOM 719 C GLU A 51 -8.161 -4.156 3.153 1.00 33.00 C ATOM 720 O GLU A 51 -7.205 -4.505 3.852 1.00 14.42 O ATOM 721 CB GLU A 51 -10.459 -5.085 3.669 1.00 63.12 C ATOM 722 CG GLU A 51 -9.942 -6.352 4.387 1.00 51.43 C ATOM 723 CD GLU A 51 -10.740 -7.610 4.033 1.00 4.14 C ATOM 724 OE1 GLU A 51 -11.850 -7.799 4.578 1.00 23.25 O ATOM 725 OE2 GLU A 51 -10.280 -8.394 3.167 1.00 35.25 O ATOM 0 H GLU A 51 -11.035 -2.925 2.648 1.00 74.44 H new ATOM 0 HA GLU A 51 -9.364 -3.619 4.847 1.00 21.03 H new ATOM 0 HB2 GLU A 51 -11.440 -4.831 4.070 1.00 63.12 H new ATOM 0 HB3 GLU A 51 -10.596 -5.313 2.612 1.00 63.12 H new ATOM 0 HG2 GLU A 51 -8.895 -6.508 4.127 1.00 51.43 H new ATOM 0 HG3 GLU A 51 -9.983 -6.194 5.465 1.00 51.43 H new ATOM 732 N SER A 52 -8.066 -3.980 1.822 1.00 13.23 N ATOM 733 CA SER A 52 -6.818 -4.217 1.064 1.00 52.40 C ATOM 734 C SER A 52 -5.858 -3.031 1.229 1.00 14.20 C ATOM 735 O SER A 52 -4.655 -3.152 0.976 1.00 12.12 O ATOM 736 CB SER A 52 -7.135 -4.443 -0.427 1.00 21.33 C ATOM 737 OG SER A 52 -5.962 -4.719 -1.181 1.00 44.33 O ATOM 0 H SER A 52 -8.846 -3.671 1.242 1.00 13.23 H new ATOM 0 HA SER A 52 -6.336 -5.111 1.459 1.00 52.40 H new ATOM 0 HB2 SER A 52 -7.835 -5.272 -0.528 1.00 21.33 H new ATOM 0 HB3 SER A 52 -7.627 -3.559 -0.832 1.00 21.33 H new ATOM 0 HG SER A 52 -6.196 -4.811 -2.128 1.00 44.33 H new ATOM 743 N MET A 53 -6.419 -1.879 1.619 1.00 32.54 N ATOM 744 CA MET A 53 -5.668 -0.655 1.891 1.00 32.25 C ATOM 745 C MET A 53 -4.890 -0.772 3.210 1.00 11.00 C ATOM 746 O MET A 53 -5.491 -0.942 4.275 1.00 54.41 O ATOM 747 CB MET A 53 -6.650 0.542 1.945 1.00 21.52 C ATOM 748 CG MET A 53 -6.035 1.880 2.356 1.00 5.14 C ATOM 749 SD MET A 53 -7.254 3.211 2.380 1.00 31.30 S ATOM 750 CE MET A 53 -7.723 3.304 0.649 1.00 71.00 C ATOM 0 H MET A 53 -7.424 -1.774 1.755 1.00 32.54 H new ATOM 0 HA MET A 53 -4.944 -0.496 1.092 1.00 32.25 H new ATOM 0 HB2 MET A 53 -7.107 0.659 0.963 1.00 21.52 H new ATOM 0 HB3 MET A 53 -7.452 0.301 2.643 1.00 21.52 H new ATOM 0 HG2 MET A 53 -5.586 1.783 3.344 1.00 5.14 H new ATOM 0 HG3 MET A 53 -5.232 2.137 1.665 1.00 5.14 H new ATOM 0 HE1 MET A 53 -7.787 4.349 0.345 1.00 71.00 H new ATOM 0 HE2 MET A 53 -6.975 2.794 0.042 1.00 71.00 H new ATOM 0 HE3 MET A 53 -8.692 2.826 0.508 1.00 71.00 H new ATOM 760 N LEU A 54 -3.555 -0.697 3.118 1.00 22.41 N ATOM 761 CA LEU A 54 -2.676 -0.557 4.291 1.00 14.13 C ATOM 762 C LEU A 54 -2.460 0.938 4.542 1.00 73.13 C ATOM 763 O LEU A 54 -2.495 1.750 3.601 1.00 22.32 O ATOM 764 CB LEU A 54 -1.311 -1.289 4.123 1.00 24.24 C ATOM 765 CG LEU A 54 -1.353 -2.860 4.137 1.00 54.10 C ATOM 766 CD1 LEU A 54 -1.933 -3.433 2.837 1.00 1.12 C ATOM 767 CD2 LEU A 54 0.036 -3.456 4.433 1.00 23.00 C ATOM 0 H LEU A 54 -3.053 -0.731 2.231 1.00 22.41 H new ATOM 0 HA LEU A 54 -3.160 -1.031 5.145 1.00 14.13 H new ATOM 0 HB2 LEU A 54 -0.865 -0.968 3.182 1.00 24.24 H new ATOM 0 HB3 LEU A 54 -0.646 -0.958 4.920 1.00 24.24 H new ATOM 0 HG LEU A 54 -2.024 -3.151 4.945 1.00 54.10 H new ATOM 0 HD11 LEU A 54 -1.943 -4.522 2.892 1.00 1.12 H new ATOM 0 HD12 LEU A 54 -2.951 -3.067 2.701 1.00 1.12 H new ATOM 0 HD13 LEU A 54 -1.318 -3.117 1.994 1.00 1.12 H new ATOM 0 HD21 LEU A 54 -0.028 -4.544 4.436 1.00 23.00 H new ATOM 0 HD22 LEU A 54 0.740 -3.136 3.665 1.00 23.00 H new ATOM 0 HD23 LEU A 54 0.380 -3.111 5.408 1.00 23.00 H new ATOM 779 N LEU A 55 -2.224 1.292 5.808 1.00 31.23 N ATOM 780 CA LEU A 55 -2.061 2.689 6.235 1.00 4.41 C ATOM 781 C LEU A 55 -0.554 2.954 6.385 1.00 40.21 C ATOM 782 O LEU A 55 0.136 2.232 7.121 1.00 2.13 O ATOM 783 CB LEU A 55 -2.833 2.941 7.579 1.00 63.35 C ATOM 784 CG LEU A 55 -3.372 4.397 7.838 1.00 62.23 C ATOM 785 CD1 LEU A 55 -2.247 5.457 7.937 1.00 75.23 C ATOM 786 CD2 LEU A 55 -4.410 4.783 6.759 1.00 73.33 C ATOM 0 H LEU A 55 -2.140 0.618 6.569 1.00 31.23 H new ATOM 0 HA LEU A 55 -2.480 3.375 5.499 1.00 4.41 H new ATOM 0 HB2 LEU A 55 -3.680 2.256 7.615 1.00 63.35 H new ATOM 0 HB3 LEU A 55 -2.172 2.674 8.403 1.00 63.35 H new ATOM 0 HG LEU A 55 -3.858 4.386 8.814 1.00 62.23 H new ATOM 0 HD11 LEU A 55 -2.686 6.438 8.116 1.00 75.23 H new ATOM 0 HD12 LEU A 55 -1.579 5.203 8.760 1.00 75.23 H new ATOM 0 HD13 LEU A 55 -1.683 5.477 7.005 1.00 75.23 H new ATOM 0 HD21 LEU A 55 -4.775 5.792 6.950 1.00 73.33 H new ATOM 0 HD22 LEU A 55 -3.943 4.746 5.775 1.00 73.33 H new ATOM 0 HD23 LEU A 55 -5.245 4.083 6.791 1.00 73.33 H new ATOM 798 N CYS A 56 -0.049 3.960 5.662 1.00 63.14 N ATOM 799 CA CYS A 56 1.366 4.339 5.681 1.00 63.13 C ATOM 800 C CYS A 56 1.777 4.923 7.047 1.00 15.33 C ATOM 801 O CYS A 56 1.194 5.898 7.522 1.00 54.34 O ATOM 802 CB CYS A 56 1.643 5.345 4.568 1.00 4.23 C ATOM 803 SG CYS A 56 3.401 5.718 4.302 1.00 44.41 S ATOM 0 H CYS A 56 -0.617 4.538 5.042 1.00 63.14 H new ATOM 0 HA CYS A 56 1.962 3.441 5.516 1.00 63.13 H new ATOM 0 HB2 CYS A 56 1.222 4.963 3.638 1.00 4.23 H new ATOM 0 HB3 CYS A 56 1.119 6.273 4.797 1.00 4.23 H new ATOM 808 N ASP A 57 2.795 4.307 7.650 1.00 31.20 N ATOM 809 CA ASP A 57 3.300 4.635 8.992 1.00 64.02 C ATOM 810 C ASP A 57 3.988 6.016 9.025 1.00 50.10 C ATOM 811 O ASP A 57 3.969 6.707 10.053 1.00 22.34 O ATOM 812 CB ASP A 57 4.269 3.502 9.413 1.00 75.23 C ATOM 813 CG ASP A 57 4.852 3.665 10.823 1.00 4.25 C ATOM 814 OD1 ASP A 57 4.218 3.205 11.793 1.00 64.34 O ATOM 815 OD2 ASP A 57 5.955 4.243 10.970 1.00 0.13 O ATOM 0 H ASP A 57 3.308 3.544 7.209 1.00 31.20 H new ATOM 0 HA ASP A 57 2.471 4.703 9.697 1.00 64.02 H new ATOM 0 HB2 ASP A 57 3.742 2.549 9.358 1.00 75.23 H new ATOM 0 HB3 ASP A 57 5.089 3.455 8.696 1.00 75.23 H new ATOM 820 N GLY A 58 4.569 6.410 7.878 1.00 33.42 N ATOM 821 CA GLY A 58 5.367 7.634 7.766 1.00 73.05 C ATOM 822 C GLY A 58 4.586 8.857 7.286 1.00 73.13 C ATOM 823 O GLY A 58 5.173 9.935 7.176 1.00 63.35 O ATOM 0 H GLY A 58 4.496 5.886 7.006 1.00 33.42 H new ATOM 0 HA2 GLY A 58 5.806 7.857 8.739 1.00 73.05 H new ATOM 0 HA3 GLY A 58 6.193 7.453 7.078 1.00 73.05 H new ATOM 827 N CYS A 59 3.263 8.698 7.030 1.00 63.42 N ATOM 828 CA CYS A 59 2.404 9.778 6.472 1.00 14.14 C ATOM 829 C CYS A 59 0.919 9.360 6.497 1.00 24.54 C ATOM 830 O CYS A 59 0.520 8.565 7.354 1.00 54.51 O ATOM 831 CB CYS A 59 2.864 10.140 5.033 1.00 22.53 C ATOM 832 SG CYS A 59 2.835 8.723 3.893 1.00 51.24 S ATOM 0 H CYS A 59 2.763 7.826 7.202 1.00 63.42 H new ATOM 0 HA CYS A 59 2.508 10.666 7.095 1.00 14.14 H new ATOM 0 HB2 CYS A 59 2.220 10.927 4.640 1.00 22.53 H new ATOM 0 HB3 CYS A 59 3.875 10.545 5.073 1.00 22.53 H new ATOM 837 N ASP A 60 0.090 9.928 5.582 1.00 53.10 N ATOM 838 CA ASP A 60 -1.361 9.636 5.497 1.00 75.44 C ATOM 839 C ASP A 60 -1.760 9.004 4.146 1.00 32.53 C ATOM 840 O ASP A 60 -2.925 8.617 3.992 1.00 10.33 O ATOM 841 CB ASP A 60 -2.198 10.929 5.733 1.00 72.05 C ATOM 842 CG ASP A 60 -2.165 11.418 7.189 1.00 62.21 C ATOM 843 OD1 ASP A 60 -2.935 10.883 8.010 1.00 73.34 O ATOM 844 OD2 ASP A 60 -1.384 12.341 7.516 1.00 72.02 O ATOM 0 H ASP A 60 0.411 10.600 4.885 1.00 53.10 H new ATOM 0 HA ASP A 60 -1.576 8.910 6.281 1.00 75.44 H new ATOM 0 HB2 ASP A 60 -1.823 11.720 5.083 1.00 72.05 H new ATOM 0 HB3 ASP A 60 -3.232 10.742 5.443 1.00 72.05 H new ATOM 849 N ASP A 61 -0.821 8.905 3.165 1.00 44.23 N ATOM 850 CA ASP A 61 -1.135 8.277 1.855 1.00 21.25 C ATOM 851 C ASP A 61 -1.488 6.788 2.046 1.00 12.22 C ATOM 852 O ASP A 61 -0.898 6.095 2.871 1.00 2.11 O ATOM 853 CB ASP A 61 -0.001 8.462 0.775 1.00 15.11 C ATOM 854 CG ASP A 61 1.436 8.108 1.216 1.00 32.32 C ATOM 855 OD1 ASP A 61 1.655 7.121 1.943 1.00 13.40 O ATOM 856 OD2 ASP A 61 2.388 8.811 0.829 1.00 32.24 O ATOM 0 H ASP A 61 0.137 9.244 3.254 1.00 44.23 H new ATOM 0 HA ASP A 61 -2.003 8.804 1.459 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -0.252 7.850 -0.091 1.00 15.11 H new ATOM 0 HB3 ASP A 61 -0.010 9.501 0.445 1.00 15.11 H new ATOM 861 N SER A 62 -2.493 6.332 1.316 1.00 42.20 N ATOM 862 CA SER A 62 -3.047 4.978 1.447 1.00 55.40 C ATOM 863 C SER A 62 -2.982 4.272 0.092 1.00 73.21 C ATOM 864 O SER A 62 -3.164 4.914 -0.939 1.00 70.15 O ATOM 865 CB SER A 62 -4.485 5.109 1.967 1.00 13.22 C ATOM 866 OG SER A 62 -4.504 5.780 3.217 1.00 23.54 O ATOM 0 H SER A 62 -2.959 6.894 0.603 1.00 42.20 H new ATOM 0 HA SER A 62 -2.475 4.374 2.151 1.00 55.40 H new ATOM 0 HB2 SER A 62 -5.090 5.657 1.245 1.00 13.22 H new ATOM 0 HB3 SER A 62 -4.931 4.120 2.072 1.00 13.22 H new ATOM 0 HG SER A 62 -4.765 6.715 3.082 1.00 23.54 H new ATOM 872 N TYR A 63 -2.612 2.977 0.098 1.00 62.33 N ATOM 873 CA TYR A 63 -2.470 2.151 -1.131 1.00 65.31 C ATOM 874 C TYR A 63 -2.941 0.719 -0.839 1.00 44.32 C ATOM 875 O TYR A 63 -2.823 0.243 0.300 1.00 42.01 O ATOM 876 CB TYR A 63 -0.989 2.123 -1.646 1.00 51.30 C ATOM 877 CG TYR A 63 -0.377 3.500 -2.009 1.00 41.25 C ATOM 878 CD1 TYR A 63 0.096 4.372 -1.012 1.00 74.21 C ATOM 879 CD2 TYR A 63 -0.300 3.939 -3.334 1.00 62.24 C ATOM 880 CE1 TYR A 63 0.607 5.609 -1.320 1.00 64.44 C ATOM 881 CE2 TYR A 63 0.225 5.184 -3.641 1.00 61.23 C ATOM 882 CZ TYR A 63 0.674 6.012 -2.625 1.00 73.40 C ATOM 883 OH TYR A 63 1.197 7.251 -2.910 1.00 2.42 O ATOM 0 H TYR A 63 -2.401 2.466 0.955 1.00 62.33 H new ATOM 0 HA TYR A 63 -3.085 2.599 -1.911 1.00 65.31 H new ATOM 0 HB2 TYR A 63 -0.366 1.660 -0.881 1.00 51.30 H new ATOM 0 HB3 TYR A 63 -0.942 1.482 -2.526 1.00 51.30 H new ATOM 0 HD1 TYR A 63 0.056 4.061 0.022 1.00 74.21 H new ATOM 0 HD2 TYR A 63 -0.654 3.299 -4.129 1.00 62.24 H new ATOM 0 HE1 TYR A 63 0.955 6.262 -0.533 1.00 64.44 H new ATOM 0 HE2 TYR A 63 0.284 5.508 -4.670 1.00 61.23 H new ATOM 0 HH TYR A 63 1.181 7.398 -3.879 1.00 2.42 H new ATOM 893 N HIS A 64 -3.470 0.038 -1.871 1.00 74.34 N ATOM 894 CA HIS A 64 -3.909 -1.371 -1.772 1.00 24.33 C ATOM 895 C HIS A 64 -2.739 -2.323 -2.068 1.00 11.54 C ATOM 896 O HIS A 64 -1.739 -1.911 -2.676 1.00 12.01 O ATOM 897 CB HIS A 64 -5.088 -1.653 -2.747 1.00 61.40 C ATOM 898 CG HIS A 64 -6.267 -0.747 -2.554 1.00 42.54 C ATOM 899 ND1 HIS A 64 -6.649 0.173 -3.497 1.00 11.04 N ATOM 900 CD2 HIS A 64 -7.111 -0.678 -1.515 1.00 71.33 C ATOM 901 CE1 HIS A 64 -7.708 0.770 -2.997 1.00 21.34 C ATOM 902 NE2 HIS A 64 -8.024 0.292 -1.800 1.00 44.41 N ATOM 0 H HIS A 64 -3.606 0.445 -2.796 1.00 74.34 H new ATOM 0 HA HIS A 64 -4.254 -1.546 -0.753 1.00 24.33 H new ATOM 0 HB2 HIS A 64 -4.730 -1.554 -3.772 1.00 61.40 H new ATOM 0 HB3 HIS A 64 -5.412 -2.686 -2.621 1.00 61.40 H new ATOM 0 HD2 HIS A 64 -7.074 -1.279 -0.619 1.00 71.33 H new ATOM 0 HE1 HIS A 64 -8.255 1.554 -3.499 1.00 21.34 H new ATOM 0 HE2 HIS A 64 -8.799 0.592 -1.209 1.00 44.41 H new ATOM 910 N THR A 65 -2.883 -3.591 -1.626 1.00 71.14 N ATOM 911 CA THR A 65 -1.902 -4.664 -1.902 1.00 60.32 C ATOM 912 C THR A 65 -1.710 -4.863 -3.417 1.00 40.23 C ATOM 913 O THR A 65 -0.590 -4.758 -3.937 1.00 41.13 O ATOM 914 CB THR A 65 -2.343 -6.026 -1.249 1.00 45.42 C ATOM 915 OG1 THR A 65 -3.675 -6.377 -1.680 1.00 3.22 O ATOM 916 CG2 THR A 65 -2.308 -5.973 0.282 1.00 31.45 C ATOM 0 H THR A 65 -3.680 -3.899 -1.069 1.00 71.14 H new ATOM 0 HA THR A 65 -0.956 -4.352 -1.460 1.00 60.32 H new ATOM 0 HB THR A 65 -1.630 -6.782 -1.578 1.00 45.42 H new ATOM 0 HG1 THR A 65 -4.312 -5.708 -1.352 1.00 3.22 H new ATOM 0 HG21 THR A 65 -2.620 -6.936 0.687 1.00 31.45 H new ATOM 0 HG22 THR A 65 -1.294 -5.751 0.615 1.00 31.45 H new ATOM 0 HG23 THR A 65 -2.984 -5.194 0.635 1.00 31.45 H new ATOM 924 N PHE A 66 -2.838 -5.097 -4.106 1.00 25.43 N ATOM 925 CA PHE A 66 -2.866 -5.425 -5.540 1.00 11.21 C ATOM 926 C PHE A 66 -2.657 -4.189 -6.431 1.00 43.33 C ATOM 927 O PHE A 66 -2.417 -4.343 -7.625 1.00 34.01 O ATOM 928 CB PHE A 66 -4.193 -6.147 -5.909 1.00 10.40 C ATOM 929 CG PHE A 66 -5.479 -5.345 -5.651 1.00 24.14 C ATOM 930 CD1 PHE A 66 -6.111 -5.376 -4.405 1.00 31.51 C ATOM 931 CD2 PHE A 66 -6.063 -4.576 -6.655 1.00 14.41 C ATOM 932 CE1 PHE A 66 -7.277 -4.665 -4.179 1.00 45.22 C ATOM 933 CE2 PHE A 66 -7.223 -3.867 -6.425 1.00 12.30 C ATOM 934 CZ PHE A 66 -7.833 -3.913 -5.187 1.00 33.41 C ATOM 0 H PHE A 66 -3.764 -5.064 -3.680 1.00 25.43 H new ATOM 0 HA PHE A 66 -2.030 -6.098 -5.729 1.00 11.21 H new ATOM 0 HB2 PHE A 66 -4.159 -6.415 -6.965 1.00 10.40 H new ATOM 0 HB3 PHE A 66 -4.248 -7.079 -5.346 1.00 10.40 H new ATOM 0 HD1 PHE A 66 -5.683 -5.964 -3.606 1.00 31.51 H new ATOM 0 HD2 PHE A 66 -5.600 -4.534 -7.630 1.00 14.41 H new ATOM 0 HE1 PHE A 66 -7.751 -4.701 -3.209 1.00 45.22 H new ATOM 0 HE2 PHE A 66 -7.656 -3.273 -7.216 1.00 12.30 H new ATOM 0 HZ PHE A 66 -8.744 -3.360 -5.011 1.00 33.41 H new ATOM 944 N CYS A 67 -2.774 -2.967 -5.860 1.00 73.15 N ATOM 945 CA CYS A 67 -2.534 -1.711 -6.603 1.00 4.41 C ATOM 946 C CYS A 67 -1.048 -1.434 -6.870 1.00 52.04 C ATOM 947 O CYS A 67 -0.725 -0.577 -7.685 1.00 3.30 O ATOM 948 CB CYS A 67 -3.172 -0.531 -5.852 1.00 73.34 C ATOM 949 SG CYS A 67 -4.977 -0.602 -5.864 1.00 1.01 S ATOM 0 H CYS A 67 -3.034 -2.826 -4.884 1.00 73.15 H new ATOM 0 HA CYS A 67 -3.002 -1.829 -7.580 1.00 4.41 H new ATOM 0 HB2 CYS A 67 -2.818 -0.526 -4.821 1.00 73.34 H new ATOM 0 HB3 CYS A 67 -2.845 0.405 -6.306 1.00 73.34 H new ATOM 0 HG CYS A 67 -5.459 0.605 -5.894 1.00 1.01 H new ATOM 954 N LEU A 68 -0.155 -2.152 -6.175 1.00 51.30 N ATOM 955 CA LEU A 68 1.301 -1.957 -6.274 1.00 3.23 C ATOM 956 C LEU A 68 1.960 -3.135 -7.013 1.00 54.22 C ATOM 957 O LEU A 68 1.449 -4.256 -6.989 1.00 74.51 O ATOM 958 CB LEU A 68 1.884 -1.800 -4.842 1.00 54.14 C ATOM 959 CG LEU A 68 1.341 -0.577 -4.024 1.00 62.20 C ATOM 960 CD1 LEU A 68 1.741 -0.687 -2.546 1.00 54.30 C ATOM 961 CD2 LEU A 68 1.810 0.770 -4.635 1.00 4.23 C ATOM 0 H LEU A 68 -0.423 -2.890 -5.524 1.00 51.30 H new ATOM 0 HA LEU A 68 1.511 -1.055 -6.849 1.00 3.23 H new ATOM 0 HB2 LEU A 68 1.676 -2.711 -4.282 1.00 54.14 H new ATOM 0 HB3 LEU A 68 2.968 -1.713 -4.917 1.00 54.14 H new ATOM 0 HG LEU A 68 0.253 -0.597 -4.081 1.00 62.20 H new ATOM 0 HD11 LEU A 68 1.353 0.172 -1.999 1.00 54.30 H new ATOM 0 HD12 LEU A 68 1.327 -1.603 -2.124 1.00 54.30 H new ATOM 0 HD13 LEU A 68 2.828 -0.709 -2.464 1.00 54.30 H new ATOM 0 HD21 LEU A 68 1.415 1.595 -4.043 1.00 4.23 H new ATOM 0 HD22 LEU A 68 2.899 0.811 -4.633 1.00 4.23 H new ATOM 0 HD23 LEU A 68 1.446 0.851 -5.659 1.00 4.23 H new ATOM 973 N LEU A 69 3.080 -2.846 -7.698 1.00 23.44 N ATOM 974 CA LEU A 69 3.985 -3.858 -8.286 1.00 53.10 C ATOM 975 C LEU A 69 5.423 -3.537 -7.820 1.00 24.23 C ATOM 976 O LEU A 69 5.903 -2.453 -8.130 1.00 33.53 O ATOM 977 CB LEU A 69 3.894 -3.895 -9.841 1.00 25.24 C ATOM 978 CG LEU A 69 2.590 -4.513 -10.442 1.00 41.05 C ATOM 979 CD1 LEU A 69 2.551 -4.351 -11.970 1.00 20.32 C ATOM 980 CD2 LEU A 69 2.446 -6.000 -10.042 1.00 42.13 C ATOM 0 H LEU A 69 3.390 -1.888 -7.863 1.00 23.44 H new ATOM 0 HA LEU A 69 3.688 -4.849 -7.944 1.00 53.10 H new ATOM 0 HB2 LEU A 69 3.994 -2.876 -10.214 1.00 25.24 H new ATOM 0 HB3 LEU A 69 4.746 -4.458 -10.221 1.00 25.24 H new ATOM 0 HG LEU A 69 1.743 -3.968 -10.026 1.00 41.05 H new ATOM 0 HD11 LEU A 69 1.633 -4.790 -12.359 1.00 20.32 H new ATOM 0 HD12 LEU A 69 2.583 -3.292 -12.224 1.00 20.32 H new ATOM 0 HD13 LEU A 69 3.410 -4.856 -12.411 1.00 20.32 H new ATOM 0 HD21 LEU A 69 1.531 -6.406 -10.473 1.00 42.13 H new ATOM 0 HD22 LEU A 69 3.303 -6.562 -10.415 1.00 42.13 H new ATOM 0 HD23 LEU A 69 2.403 -6.082 -8.956 1.00 42.13 H new ATOM 992 N PRO A 70 6.129 -4.436 -7.038 1.00 62.25 N ATOM 993 CA PRO A 70 5.596 -5.745 -6.569 1.00 45.11 C ATOM 994 C PRO A 70 4.493 -5.579 -5.486 1.00 72.30 C ATOM 995 O PRO A 70 4.577 -4.662 -4.653 1.00 30.33 O ATOM 996 CB PRO A 70 6.851 -6.463 -6.010 1.00 15.51 C ATOM 997 CG PRO A 70 7.753 -5.349 -5.561 1.00 42.23 C ATOM 998 CD PRO A 70 7.524 -4.217 -6.548 1.00 60.50 C ATOM 0 HA PRO A 70 5.105 -6.305 -7.365 1.00 45.11 H new ATOM 0 HB2 PRO A 70 6.594 -7.124 -5.182 1.00 15.51 H new ATOM 0 HB3 PRO A 70 7.329 -7.078 -6.772 1.00 15.51 H new ATOM 0 HG2 PRO A 70 7.515 -5.037 -4.544 1.00 42.23 H new ATOM 0 HG3 PRO A 70 8.796 -5.665 -5.561 1.00 42.23 H new ATOM 0 HD2 PRO A 70 7.630 -3.243 -6.069 1.00 60.50 H new ATOM 0 HD3 PRO A 70 8.244 -4.250 -7.366 1.00 60.50 H new ATOM 1006 N PRO A 71 3.426 -6.443 -5.515 1.00 51.55 N ATOM 1007 CA PRO A 71 2.299 -6.343 -4.565 1.00 31.22 C ATOM 1008 C PRO A 71 2.718 -6.713 -3.137 1.00 71.21 C ATOM 1009 O PRO A 71 3.753 -7.369 -2.923 1.00 33.11 O ATOM 1010 CB PRO A 71 1.260 -7.349 -5.131 1.00 40.34 C ATOM 1011 CG PRO A 71 2.083 -8.361 -5.870 1.00 22.43 C ATOM 1012 CD PRO A 71 3.238 -7.583 -6.464 1.00 2.43 C ATOM 0 HA PRO A 71 1.910 -5.328 -4.484 1.00 31.22 H new ATOM 0 HB2 PRO A 71 0.682 -7.814 -4.333 1.00 40.34 H new ATOM 0 HB3 PRO A 71 0.549 -6.855 -5.793 1.00 40.34 H new ATOM 0 HG2 PRO A 71 2.439 -9.143 -5.199 1.00 22.43 H new ATOM 0 HG3 PRO A 71 1.498 -8.851 -6.648 1.00 22.43 H new ATOM 0 HD2 PRO A 71 4.137 -8.195 -6.537 1.00 2.43 H new ATOM 0 HD3 PRO A 71 3.009 -7.232 -7.470 1.00 2.43 H new ATOM 1020 N LEU A 72 1.910 -6.290 -2.163 1.00 54.42 N ATOM 1021 CA LEU A 72 2.128 -6.615 -0.752 1.00 71.31 C ATOM 1022 C LEU A 72 1.560 -8.019 -0.471 1.00 62.20 C ATOM 1023 O LEU A 72 0.495 -8.173 0.135 1.00 33.55 O ATOM 1024 CB LEU A 72 1.487 -5.528 0.148 1.00 3.14 C ATOM 1025 CG LEU A 72 1.919 -4.058 -0.168 1.00 35.10 C ATOM 1026 CD1 LEU A 72 1.119 -3.037 0.663 1.00 54.01 C ATOM 1027 CD2 LEU A 72 3.447 -3.869 0.010 1.00 21.42 C ATOM 0 H LEU A 72 1.086 -5.712 -2.330 1.00 54.42 H new ATOM 0 HA LEU A 72 3.193 -6.628 -0.523 1.00 71.31 H new ATOM 0 HB2 LEU A 72 0.403 -5.598 0.058 1.00 3.14 H new ATOM 0 HB3 LEU A 72 1.735 -5.747 1.187 1.00 3.14 H new ATOM 0 HG LEU A 72 1.686 -3.868 -1.216 1.00 35.10 H new ATOM 0 HD11 LEU A 72 1.448 -2.028 0.415 1.00 54.01 H new ATOM 0 HD12 LEU A 72 0.057 -3.138 0.439 1.00 54.01 H new ATOM 0 HD13 LEU A 72 1.285 -3.222 1.724 1.00 54.01 H new ATOM 0 HD21 LEU A 72 3.715 -2.837 -0.217 1.00 21.42 H new ATOM 0 HD22 LEU A 72 3.725 -4.098 1.039 1.00 21.42 H new ATOM 0 HD23 LEU A 72 3.978 -4.539 -0.667 1.00 21.42 H new ATOM 1039 N THR A 73 2.275 -9.033 -0.998 1.00 63.00 N ATOM 1040 CA THR A 73 1.908 -10.449 -0.860 1.00 22.33 C ATOM 1041 C THR A 73 2.105 -10.913 0.594 1.00 43.13 C ATOM 1042 O THR A 73 1.433 -11.838 1.064 1.00 34.53 O ATOM 1043 CB THR A 73 2.743 -11.338 -1.841 1.00 63.42 C ATOM 1044 OG1 THR A 73 4.151 -11.104 -1.659 1.00 24.41 O ATOM 1045 CG2 THR A 73 2.381 -11.078 -3.316 1.00 54.03 C ATOM 0 H THR A 73 3.130 -8.887 -1.535 1.00 63.00 H new ATOM 0 HA THR A 73 0.855 -10.558 -1.119 1.00 22.33 H new ATOM 0 HB THR A 73 2.501 -12.374 -1.606 1.00 63.42 H new ATOM 0 HG1 THR A 73 4.659 -11.668 -2.278 1.00 24.41 H new ATOM 0 HG21 THR A 73 2.987 -11.718 -3.958 1.00 54.03 H new ATOM 0 HG22 THR A 73 1.326 -11.298 -3.476 1.00 54.03 H new ATOM 0 HG23 THR A 73 2.574 -10.033 -3.559 1.00 54.03 H new ATOM 1053 N SER A 74 3.044 -10.261 1.293 1.00 55.11 N ATOM 1054 CA SER A 74 3.251 -10.432 2.728 1.00 11.25 C ATOM 1055 C SER A 74 3.000 -9.089 3.417 1.00 43.13 C ATOM 1056 O SER A 74 3.521 -8.053 2.977 1.00 33.40 O ATOM 1057 CB SER A 74 4.683 -10.910 3.002 1.00 2.02 C ATOM 1058 OG SER A 74 5.001 -12.041 2.211 1.00 15.03 O ATOM 0 H SER A 74 3.687 -9.593 0.868 1.00 55.11 H new ATOM 0 HA SER A 74 2.562 -11.182 3.117 1.00 11.25 H new ATOM 0 HB2 SER A 74 5.386 -10.104 2.790 1.00 2.02 H new ATOM 0 HB3 SER A 74 4.792 -11.158 4.058 1.00 2.02 H new ATOM 0 HG SER A 74 5.919 -12.326 2.402 1.00 15.03 H new ATOM 1064 N ILE A 75 2.172 -9.114 4.460 1.00 52.42 N ATOM 1065 CA ILE A 75 1.861 -7.937 5.274 1.00 75.41 C ATOM 1066 C ILE A 75 3.022 -7.667 6.256 1.00 0.43 C ATOM 1067 O ILE A 75 3.371 -8.558 7.055 1.00 11.21 O ATOM 1068 CB ILE A 75 0.504 -8.134 6.044 1.00 64.41 C ATOM 1069 CG1 ILE A 75 -0.647 -8.417 5.025 1.00 4.40 C ATOM 1070 CG2 ILE A 75 0.167 -6.917 6.950 1.00 72.14 C ATOM 1071 CD1 ILE A 75 -0.922 -7.286 4.036 1.00 21.25 C ATOM 0 H ILE A 75 1.693 -9.960 4.768 1.00 52.42 H new ATOM 0 HA ILE A 75 1.745 -7.072 4.621 1.00 75.41 H new ATOM 0 HB ILE A 75 0.611 -8.994 6.705 1.00 64.41 H new ATOM 0 HG12 ILE A 75 -0.403 -9.319 4.464 1.00 4.40 H new ATOM 0 HG13 ILE A 75 -1.562 -8.625 5.580 1.00 4.40 H new ATOM 0 HG21 ILE A 75 -0.778 -7.096 7.463 1.00 72.14 H new ATOM 0 HG22 ILE A 75 0.959 -6.781 7.686 1.00 72.14 H new ATOM 0 HG23 ILE A 75 0.083 -6.019 6.337 1.00 72.14 H new ATOM 0 HD11 ILE A 75 -1.736 -7.574 3.371 1.00 21.25 H new ATOM 0 HD12 ILE A 75 -1.202 -6.385 4.582 1.00 21.25 H new ATOM 0 HD13 ILE A 75 -0.025 -7.090 3.449 1.00 21.25 H new ATOM 1083 N PRO A 76 3.654 -6.446 6.209 1.00 4.34 N ATOM 1084 CA PRO A 76 4.751 -6.105 7.120 1.00 52.11 C ATOM 1085 C PRO A 76 4.213 -5.862 8.547 1.00 11.43 C ATOM 1086 O PRO A 76 3.606 -4.822 8.836 1.00 23.13 O ATOM 1087 CB PRO A 76 5.401 -4.852 6.485 1.00 50.11 C ATOM 1088 CG PRO A 76 4.318 -4.220 5.653 1.00 11.10 C ATOM 1089 CD PRO A 76 3.325 -5.314 5.291 1.00 52.32 C ATOM 0 HA PRO A 76 5.485 -6.902 7.237 1.00 52.11 H new ATOM 0 HB2 PRO A 76 5.760 -4.165 7.251 1.00 50.11 H new ATOM 0 HB3 PRO A 76 6.260 -5.123 5.872 1.00 50.11 H new ATOM 0 HG2 PRO A 76 3.824 -3.422 6.208 1.00 11.10 H new ATOM 0 HG3 PRO A 76 4.738 -3.770 4.753 1.00 11.10 H new ATOM 0 HD2 PRO A 76 2.298 -4.978 5.430 1.00 52.32 H new ATOM 0 HD3 PRO A 76 3.425 -5.610 4.247 1.00 52.32 H new ATOM 1097 N LYS A 77 4.353 -6.904 9.381 1.00 71.34 N ATOM 1098 CA LYS A 77 3.989 -6.879 10.801 1.00 53.25 C ATOM 1099 C LYS A 77 4.784 -5.775 11.525 1.00 24.33 C ATOM 1100 O LYS A 77 6.001 -5.884 11.718 1.00 44.24 O ATOM 1101 CB LYS A 77 4.239 -8.270 11.435 1.00 24.12 C ATOM 1102 CG LYS A 77 3.374 -9.402 10.820 1.00 41.43 C ATOM 1103 CD LYS A 77 3.736 -10.802 11.371 1.00 65.22 C ATOM 1104 CE LYS A 77 5.153 -11.252 10.965 1.00 11.22 C ATOM 1105 NZ LYS A 77 5.314 -11.322 9.486 1.00 50.45 N ATOM 0 H LYS A 77 4.729 -7.803 9.079 1.00 71.34 H new ATOM 0 HA LYS A 77 2.928 -6.651 10.904 1.00 53.25 H new ATOM 0 HB2 LYS A 77 5.292 -8.527 11.321 1.00 24.12 H new ATOM 0 HB3 LYS A 77 4.039 -8.213 12.505 1.00 24.12 H new ATOM 0 HG2 LYS A 77 2.322 -9.199 11.021 1.00 41.43 H new ATOM 0 HG3 LYS A 77 3.498 -9.400 9.737 1.00 41.43 H new ATOM 0 HD2 LYS A 77 3.660 -10.791 12.458 1.00 65.22 H new ATOM 0 HD3 LYS A 77 3.010 -11.530 11.008 1.00 65.22 H new ATOM 0 HE2 LYS A 77 5.886 -10.558 11.377 1.00 11.22 H new ATOM 0 HE3 LYS A 77 5.361 -12.230 11.399 1.00 11.22 H new ATOM 0 HZ1 LYS A 77 6.200 -11.817 9.256 1.00 50.45 H new ATOM 0 HZ2 LYS A 77 4.511 -11.839 9.074 1.00 50.45 H new ATOM 0 HZ3 LYS A 77 5.344 -10.359 9.094 1.00 50.45 H new ATOM 1119 N GLY A 78 4.080 -4.689 11.839 1.00 0.33 N ATOM 1120 CA GLY A 78 4.673 -3.448 12.358 1.00 15.15 C ATOM 1121 C GLY A 78 4.310 -2.280 11.448 1.00 50.11 C ATOM 1122 O GLY A 78 4.980 -1.241 11.455 1.00 14.23 O ATOM 0 H GLY A 78 3.066 -4.641 11.740 1.00 0.33 H new ATOM 0 HA2 GLY A 78 4.313 -3.258 13.369 1.00 15.15 H new ATOM 0 HA3 GLY A 78 5.757 -3.550 12.419 1.00 15.15 H new ATOM 1126 N GLU A 79 3.225 -2.493 10.658 1.00 1.31 N ATOM 1127 CA GLU A 79 2.666 -1.551 9.668 1.00 54.33 C ATOM 1128 C GLU A 79 3.600 -1.324 8.465 1.00 2.12 C ATOM 1129 O GLU A 79 4.702 -1.870 8.402 1.00 14.13 O ATOM 1130 CB GLU A 79 2.174 -0.229 10.320 1.00 62.50 C ATOM 1131 CG GLU A 79 1.089 -0.469 11.392 1.00 33.44 C ATOM 1132 CD GLU A 79 0.310 0.793 11.774 1.00 50.54 C ATOM 1133 OE1 GLU A 79 -0.706 1.084 11.104 1.00 45.41 O ATOM 1134 OE2 GLU A 79 0.701 1.501 12.726 1.00 60.44 O ATOM 0 H GLU A 79 2.698 -3.365 10.700 1.00 1.31 H new ATOM 0 HA GLU A 79 1.777 -2.030 9.257 1.00 54.33 H new ATOM 0 HB2 GLU A 79 3.021 0.286 10.773 1.00 62.50 H new ATOM 0 HB3 GLU A 79 1.777 0.429 9.547 1.00 62.50 H new ATOM 0 HG2 GLU A 79 0.389 -1.220 11.026 1.00 33.44 H new ATOM 0 HG3 GLU A 79 1.559 -0.880 12.286 1.00 33.44 H new ATOM 1141 N TRP A 80 3.129 -0.537 7.492 1.00 40.21 N ATOM 1142 CA TRP A 80 3.726 -0.465 6.152 1.00 53.12 C ATOM 1143 C TRP A 80 4.141 0.966 5.786 1.00 31.53 C ATOM 1144 O TRP A 80 3.475 1.922 6.163 1.00 14.03 O ATOM 1145 CB TRP A 80 2.681 -1.030 5.161 1.00 12.25 C ATOM 1146 CG TRP A 80 3.011 -0.840 3.709 1.00 12.31 C ATOM 1147 CD1 TRP A 80 3.953 -1.498 2.965 1.00 55.35 C ATOM 1148 CD2 TRP A 80 2.376 0.085 2.835 1.00 65.43 C ATOM 1149 NE1 TRP A 80 3.932 -1.026 1.677 1.00 21.50 N ATOM 1150 CE2 TRP A 80 2.970 -0.055 1.576 1.00 73.54 C ATOM 1151 CE3 TRP A 80 1.359 1.026 3.019 1.00 63.21 C ATOM 1152 CZ2 TRP A 80 2.569 0.700 0.498 1.00 71.34 C ATOM 1153 CZ3 TRP A 80 0.961 1.780 1.944 1.00 34.23 C ATOM 1154 CH2 TRP A 80 1.573 1.612 0.697 1.00 4.35 C ATOM 0 H TRP A 80 2.319 0.071 7.611 1.00 40.21 H new ATOM 0 HA TRP A 80 4.644 -1.052 6.114 1.00 53.12 H new ATOM 0 HB2 TRP A 80 2.560 -2.096 5.353 1.00 12.25 H new ATOM 0 HB3 TRP A 80 1.719 -0.559 5.364 1.00 12.25 H new ATOM 0 HD1 TRP A 80 4.611 -2.270 3.335 1.00 55.35 H new ATOM 0 HE1 TRP A 80 4.534 -1.346 0.918 1.00 21.50 H new ATOM 0 HE3 TRP A 80 0.897 1.157 3.986 1.00 63.21 H new ATOM 0 HZ2 TRP A 80 3.027 0.575 -0.472 1.00 71.34 H new ATOM 0 HZ3 TRP A 80 0.171 2.507 2.061 1.00 34.23 H new ATOM 0 HH2 TRP A 80 1.248 2.222 -0.133 1.00 4.35 H new ATOM 1165 N LEU A 81 5.258 1.078 5.044 1.00 63.53 N ATOM 1166 CA LEU A 81 5.734 2.334 4.442 1.00 73.44 C ATOM 1167 C LEU A 81 5.487 2.299 2.922 1.00 53.40 C ATOM 1168 O LEU A 81 5.884 1.335 2.246 1.00 43.01 O ATOM 1169 CB LEU A 81 7.245 2.536 4.744 1.00 41.25 C ATOM 1170 CG LEU A 81 7.623 2.754 6.240 1.00 20.21 C ATOM 1171 CD1 LEU A 81 9.152 2.825 6.424 1.00 44.13 C ATOM 1172 CD2 LEU A 81 6.932 4.016 6.807 1.00 62.45 C ATOM 0 H LEU A 81 5.865 0.283 4.843 1.00 63.53 H new ATOM 0 HA LEU A 81 5.185 3.172 4.873 1.00 73.44 H new ATOM 0 HB2 LEU A 81 7.788 1.665 4.377 1.00 41.25 H new ATOM 0 HB3 LEU A 81 7.597 3.395 4.173 1.00 41.25 H new ATOM 0 HG LEU A 81 7.263 1.894 6.805 1.00 20.21 H new ATOM 0 HD11 LEU A 81 9.385 2.978 7.478 1.00 44.13 H new ATOM 0 HD12 LEU A 81 9.603 1.893 6.084 1.00 44.13 H new ATOM 0 HD13 LEU A 81 9.551 3.655 5.840 1.00 44.13 H new ATOM 0 HD21 LEU A 81 7.212 4.146 7.852 1.00 62.45 H new ATOM 0 HD22 LEU A 81 7.246 4.890 6.236 1.00 62.45 H new ATOM 0 HD23 LEU A 81 5.850 3.903 6.733 1.00 62.45 H new ATOM 1184 N CYS A 82 4.815 3.347 2.410 1.00 3.43 N ATOM 1185 CA CYS A 82 4.572 3.549 0.968 1.00 31.21 C ATOM 1186 C CYS A 82 5.888 3.831 0.234 1.00 3.21 C ATOM 1187 O CYS A 82 6.816 4.289 0.880 1.00 23.21 O ATOM 1188 CB CYS A 82 3.628 4.740 0.770 1.00 0.04 C ATOM 1189 SG CYS A 82 4.335 6.327 1.316 1.00 63.41 S ATOM 0 H CYS A 82 4.421 4.086 2.992 1.00 3.43 H new ATOM 0 HA CYS A 82 4.124 2.642 0.562 1.00 31.21 H new ATOM 0 HB2 CYS A 82 3.364 4.813 -0.285 1.00 0.04 H new ATOM 0 HB3 CYS A 82 2.704 4.556 1.318 1.00 0.04 H new ATOM 1194 N PRO A 83 5.981 3.611 -1.127 1.00 1.23 N ATOM 1195 CA PRO A 83 7.225 3.907 -1.920 1.00 30.21 C ATOM 1196 C PRO A 83 7.844 5.301 -1.620 1.00 33.11 C ATOM 1197 O PRO A 83 9.071 5.463 -1.557 1.00 12.32 O ATOM 1198 CB PRO A 83 6.722 3.826 -3.377 1.00 23.34 C ATOM 1199 CG PRO A 83 5.596 2.833 -3.341 1.00 62.45 C ATOM 1200 CD PRO A 83 4.906 3.038 -2.004 1.00 25.15 C ATOM 0 HA PRO A 83 8.032 3.214 -1.680 1.00 30.21 H new ATOM 0 HB2 PRO A 83 6.380 4.798 -3.732 1.00 23.34 H new ATOM 0 HB3 PRO A 83 7.514 3.501 -4.051 1.00 23.34 H new ATOM 0 HG2 PRO A 83 4.904 2.996 -4.167 1.00 62.45 H new ATOM 0 HG3 PRO A 83 5.970 1.814 -3.436 1.00 62.45 H new ATOM 0 HD2 PRO A 83 4.058 3.717 -2.092 1.00 25.15 H new ATOM 0 HD3 PRO A 83 4.522 2.099 -1.604 1.00 25.15 H new ATOM 1208 N ARG A 84 6.945 6.271 -1.397 1.00 35.42 N ATOM 1209 CA ARG A 84 7.270 7.658 -1.029 1.00 1.21 C ATOM 1210 C ARG A 84 7.995 7.720 0.343 1.00 21.43 C ATOM 1211 O ARG A 84 9.024 8.387 0.479 1.00 32.14 O ATOM 1212 CB ARG A 84 5.943 8.471 -1.003 1.00 33.40 C ATOM 1213 CG ARG A 84 6.061 9.962 -0.620 1.00 73.04 C ATOM 1214 CD ARG A 84 6.929 10.770 -1.600 1.00 1.25 C ATOM 1215 NE ARG A 84 6.986 12.184 -1.219 1.00 13.30 N ATOM 1216 CZ ARG A 84 7.736 13.116 -1.821 1.00 61.03 C ATOM 1217 NH1 ARG A 84 8.521 12.803 -2.847 1.00 30.32 N ATOM 1218 NH2 ARG A 84 7.685 14.371 -1.393 1.00 74.12 N ATOM 0 H ARG A 84 5.941 6.107 -1.470 1.00 35.42 H new ATOM 0 HA ARG A 84 7.954 8.087 -1.762 1.00 1.21 H new ATOM 0 HB2 ARG A 84 5.483 8.407 -1.989 1.00 33.40 H new ATOM 0 HB3 ARG A 84 5.261 7.991 -0.301 1.00 33.40 H new ATOM 0 HG2 ARG A 84 5.064 10.401 -0.580 1.00 73.04 H new ATOM 0 HG3 ARG A 84 6.484 10.041 0.381 1.00 73.04 H new ATOM 0 HD2 ARG A 84 7.937 10.356 -1.623 1.00 1.25 H new ATOM 0 HD3 ARG A 84 6.524 10.679 -2.608 1.00 1.25 H new ATOM 0 HE ARG A 84 6.409 12.482 -0.433 1.00 13.30 H new ATOM 0 HH11 ARG A 84 8.558 11.842 -3.186 1.00 30.32 H new ATOM 0 HH12 ARG A 84 9.086 13.524 -3.295 1.00 30.32 H new ATOM 0 HH21 ARG A 84 7.078 14.619 -0.612 1.00 74.12 H new ATOM 0 HH22 ARG A 84 8.253 15.088 -1.845 1.00 74.12 H new ATOM 1232 N CYS A 85 7.452 7.003 1.344 1.00 62.41 N ATOM 1233 CA CYS A 85 7.978 7.006 2.727 1.00 2.31 C ATOM 1234 C CYS A 85 9.210 6.096 2.889 1.00 33.41 C ATOM 1235 O CYS A 85 10.023 6.325 3.783 1.00 61.10 O ATOM 1236 CB CYS A 85 6.862 6.584 3.697 1.00 31.12 C ATOM 1237 SG CYS A 85 5.417 7.684 3.622 1.00 34.45 S ATOM 0 H CYS A 85 6.636 6.404 1.220 1.00 62.41 H new ATOM 0 HA CYS A 85 8.307 8.019 2.959 1.00 2.31 H new ATOM 0 HB2 CYS A 85 6.551 5.565 3.466 1.00 31.12 H new ATOM 0 HB3 CYS A 85 7.254 6.574 4.714 1.00 31.12 H new ATOM 1242 N VAL A 86 9.296 5.045 2.055 1.00 43.33 N ATOM 1243 CA VAL A 86 10.466 4.149 1.973 1.00 55.42 C ATOM 1244 C VAL A 86 11.732 4.940 1.625 1.00 55.40 C ATOM 1245 O VAL A 86 12.720 4.887 2.375 1.00 22.24 O ATOM 1246 CB VAL A 86 10.229 2.998 0.911 1.00 14.33 C ATOM 1247 CG1 VAL A 86 11.494 2.131 0.673 1.00 3.52 C ATOM 1248 CG2 VAL A 86 9.045 2.100 1.327 1.00 61.00 C ATOM 0 H VAL A 86 8.547 4.790 1.411 1.00 43.33 H new ATOM 0 HA VAL A 86 10.601 3.688 2.952 1.00 55.42 H new ATOM 0 HB VAL A 86 9.993 3.493 -0.031 1.00 14.33 H new ATOM 0 HG11 VAL A 86 11.273 1.359 -0.064 1.00 3.52 H new ATOM 0 HG12 VAL A 86 12.303 2.762 0.306 1.00 3.52 H new ATOM 0 HG13 VAL A 86 11.796 1.663 1.610 1.00 3.52 H new ATOM 0 HG21 VAL A 86 8.902 1.317 0.582 1.00 61.00 H new ATOM 0 HG22 VAL A 86 9.256 1.645 2.295 1.00 61.00 H new ATOM 0 HG23 VAL A 86 8.139 2.702 1.399 1.00 61.00 H new ATOM 1258 N VAL A 87 11.663 5.677 0.485 1.00 20.22 N ATOM 1259 CA VAL A 87 12.767 6.497 -0.079 1.00 12.45 C ATOM 1260 C VAL A 87 13.837 5.614 -0.752 1.00 5.12 C ATOM 1261 O VAL A 87 14.186 5.824 -1.922 1.00 73.44 O ATOM 1262 CB VAL A 87 13.417 7.507 0.956 1.00 21.33 C ATOM 1263 CG1 VAL A 87 14.582 8.315 0.325 1.00 43.34 C ATOM 1264 CG2 VAL A 87 12.339 8.457 1.540 1.00 63.33 C ATOM 0 H VAL A 87 10.816 5.718 -0.081 1.00 20.22 H new ATOM 0 HA VAL A 87 12.304 7.122 -0.843 1.00 12.45 H new ATOM 0 HB VAL A 87 13.839 6.916 1.769 1.00 21.33 H new ATOM 0 HG11 VAL A 87 14.998 8.994 1.069 1.00 43.34 H new ATOM 0 HG12 VAL A 87 15.358 7.629 -0.015 1.00 43.34 H new ATOM 0 HG13 VAL A 87 14.209 8.890 -0.523 1.00 43.34 H new ATOM 0 HG21 VAL A 87 12.804 9.143 2.248 1.00 63.33 H new ATOM 0 HG22 VAL A 87 11.879 9.026 0.732 1.00 63.33 H new ATOM 0 HG23 VAL A 87 11.575 7.870 2.051 1.00 63.33 H new ATOM 1274 N GLU A 88 14.342 4.628 0.005 1.00 32.43 N ATOM 1275 CA GLU A 88 15.307 3.630 -0.474 1.00 63.04 C ATOM 1276 C GLU A 88 14.610 2.551 -1.327 1.00 14.33 C ATOM 1277 O GLU A 88 13.482 2.753 -1.814 1.00 34.24 O ATOM 1278 CB GLU A 88 16.035 3.005 0.756 1.00 34.32 C ATOM 1279 CG GLU A 88 16.738 4.032 1.663 1.00 31.42 C ATOM 1280 CD GLU A 88 17.474 3.376 2.842 1.00 31.11 C ATOM 1281 OE1 GLU A 88 16.801 2.842 3.746 1.00 21.41 O ATOM 1282 OE2 GLU A 88 18.721 3.351 2.853 1.00 20.32 O ATOM 0 H GLU A 88 14.086 4.501 0.984 1.00 32.43 H new ATOM 0 HA GLU A 88 16.043 4.112 -1.117 1.00 63.04 H new ATOM 0 HB2 GLU A 88 15.309 2.450 1.350 1.00 34.32 H new ATOM 0 HB3 GLU A 88 16.773 2.286 0.400 1.00 34.32 H new ATOM 0 HG2 GLU A 88 17.450 4.607 1.070 1.00 31.42 H new ATOM 0 HG3 GLU A 88 16.000 4.737 2.047 1.00 31.42 H new ATOM 1289 N GLU A 89 15.317 1.432 -1.543 1.00 3.15 N ATOM 1290 CA GLU A 89 14.819 0.285 -2.312 1.00 55.25 C ATOM 1291 C GLU A 89 15.800 -0.881 -2.176 1.00 33.44 C ATOM 1292 O GLU A 89 16.996 -0.666 -1.947 1.00 62.25 O ATOM 1293 CB GLU A 89 14.643 0.665 -3.812 1.00 1.23 C ATOM 1294 CG GLU A 89 15.908 1.245 -4.491 1.00 43.21 C ATOM 1295 CD GLU A 89 15.693 1.600 -5.967 1.00 43.41 C ATOM 1296 OE1 GLU A 89 15.816 0.700 -6.819 1.00 32.54 O ATOM 1297 OE2 GLU A 89 15.392 2.774 -6.287 1.00 21.01 O ATOM 0 H GLU A 89 16.262 1.298 -1.184 1.00 3.15 H new ATOM 0 HA GLU A 89 13.846 -0.010 -1.919 1.00 55.25 H new ATOM 0 HB2 GLU A 89 14.328 -0.222 -4.362 1.00 1.23 H new ATOM 0 HB3 GLU A 89 13.837 1.394 -3.895 1.00 1.23 H new ATOM 0 HG2 GLU A 89 16.225 2.138 -3.952 1.00 43.21 H new ATOM 0 HG3 GLU A 89 16.719 0.521 -4.413 1.00 43.21 H new ATOM 1304 N VAL A 90 15.297 -2.118 -2.296 1.00 44.45 N ATOM 1305 CA VAL A 90 16.152 -3.302 -2.440 1.00 52.03 C ATOM 1306 C VAL A 90 16.620 -3.384 -3.919 1.00 24.12 C ATOM 1307 O VAL A 90 15.995 -4.032 -4.770 1.00 22.42 O ATOM 1308 CB VAL A 90 15.445 -4.621 -1.915 1.00 15.21 C ATOM 1309 CG1 VAL A 90 14.083 -4.900 -2.599 1.00 3.12 C ATOM 1310 CG2 VAL A 90 16.388 -5.843 -2.016 1.00 50.05 C ATOM 0 H VAL A 90 14.298 -2.324 -2.296 1.00 44.45 H new ATOM 0 HA VAL A 90 17.034 -3.208 -1.806 1.00 52.03 H new ATOM 0 HB VAL A 90 15.223 -4.447 -0.862 1.00 15.21 H new ATOM 0 HG11 VAL A 90 13.653 -5.816 -2.194 1.00 3.12 H new ATOM 0 HG12 VAL A 90 13.405 -4.068 -2.412 1.00 3.12 H new ATOM 0 HG13 VAL A 90 14.232 -5.013 -3.673 1.00 3.12 H new ATOM 0 HG21 VAL A 90 15.874 -6.731 -1.648 1.00 50.05 H new ATOM 0 HG22 VAL A 90 16.676 -5.995 -3.056 1.00 50.05 H new ATOM 0 HG23 VAL A 90 17.280 -5.665 -1.415 1.00 50.05 H new ATOM 1320 N SER A 91 17.678 -2.600 -4.223 1.00 53.14 N ATOM 1321 CA SER A 91 18.243 -2.473 -5.578 1.00 12.13 C ATOM 1322 C SER A 91 18.744 -3.847 -6.055 1.00 73.12 C ATOM 1323 O SER A 91 19.724 -4.376 -5.510 1.00 34.34 O ATOM 1324 CB SER A 91 19.380 -1.420 -5.594 1.00 22.42 C ATOM 1325 OG SER A 91 19.939 -1.262 -6.892 1.00 44.12 O ATOM 0 H SER A 91 18.165 -2.035 -3.527 1.00 53.14 H new ATOM 0 HA SER A 91 17.469 -2.129 -6.264 1.00 12.13 H new ATOM 0 HB2 SER A 91 18.993 -0.462 -5.247 1.00 22.42 H new ATOM 0 HB3 SER A 91 20.162 -1.720 -4.896 1.00 22.42 H new ATOM 0 HG SER A 91 20.651 -0.589 -6.862 1.00 44.12 H new ATOM 1331 N LYS A 92 18.018 -4.405 -7.053 1.00 33.14 N ATOM 1332 CA LYS A 92 18.187 -5.779 -7.566 1.00 35.23 C ATOM 1333 C LYS A 92 17.717 -6.792 -6.488 1.00 13.10 C ATOM 1334 O LYS A 92 18.528 -7.236 -5.665 1.00 73.54 O ATOM 1335 CB LYS A 92 19.646 -6.063 -8.056 1.00 61.21 C ATOM 1336 CG LYS A 92 20.192 -5.009 -9.048 1.00 12.25 C ATOM 1337 CD LYS A 92 19.367 -4.916 -10.355 1.00 51.20 C ATOM 1338 CE LYS A 92 19.755 -3.696 -11.210 1.00 33.14 C ATOM 1339 NZ LYS A 92 21.207 -3.653 -11.519 1.00 63.21 N ATOM 0 H LYS A 92 17.278 -3.894 -7.535 1.00 33.14 H new ATOM 0 HA LYS A 92 17.562 -5.896 -8.451 1.00 35.23 H new ATOM 0 HB2 LYS A 92 20.307 -6.109 -7.190 1.00 61.21 H new ATOM 0 HB3 LYS A 92 19.675 -7.044 -8.531 1.00 61.21 H new ATOM 0 HG2 LYS A 92 20.202 -4.033 -8.562 1.00 12.25 H new ATOM 0 HG3 LYS A 92 21.225 -5.253 -9.295 1.00 12.25 H new ATOM 0 HD2 LYS A 92 19.512 -5.825 -10.938 1.00 51.20 H new ATOM 0 HD3 LYS A 92 18.307 -4.861 -10.109 1.00 51.20 H new ATOM 0 HE2 LYS A 92 19.190 -3.715 -12.142 1.00 33.14 H new ATOM 0 HE3 LYS A 92 19.472 -2.784 -10.684 1.00 33.14 H new ATOM 0 HZ1 LYS A 92 21.401 -2.862 -12.165 1.00 63.21 H new ATOM 0 HZ2 LYS A 92 21.745 -3.522 -10.639 1.00 63.21 H new ATOM 0 HZ3 LYS A 92 21.493 -4.546 -11.969 1.00 63.21 H new ATOM 1353 N PRO A 93 16.371 -7.120 -6.445 1.00 14.01 N ATOM 1354 CA PRO A 93 15.769 -8.057 -5.439 1.00 41.33 C ATOM 1355 C PRO A 93 16.397 -9.472 -5.449 1.00 54.23 C ATOM 1356 O PRO A 93 17.174 -9.807 -6.347 1.00 3.35 O ATOM 1357 CB PRO A 93 14.267 -8.103 -5.848 1.00 24.13 C ATOM 1358 CG PRO A 93 14.038 -6.820 -6.594 1.00 25.24 C ATOM 1359 CD PRO A 93 15.320 -6.578 -7.356 1.00 10.31 C ATOM 0 HA PRO A 93 15.940 -7.711 -4.420 1.00 41.33 H new ATOM 0 HB2 PRO A 93 14.053 -8.969 -6.474 1.00 24.13 H new ATOM 0 HB3 PRO A 93 13.620 -8.174 -4.974 1.00 24.13 H new ATOM 0 HG2 PRO A 93 13.187 -6.903 -7.270 1.00 25.24 H new ATOM 0 HG3 PRO A 93 13.824 -5.998 -5.910 1.00 25.24 H new ATOM 0 HD2 PRO A 93 15.319 -7.091 -8.318 1.00 10.31 H new ATOM 0 HD3 PRO A 93 15.472 -5.518 -7.560 1.00 10.31 H new ATOM 1367 N GLN A 94 16.018 -10.282 -4.434 1.00 30.01 N ATOM 1368 CA GLN A 94 16.552 -11.639 -4.186 1.00 23.10 C ATOM 1369 C GLN A 94 18.062 -11.570 -3.824 1.00 34.54 C ATOM 1370 O GLN A 94 18.926 -11.792 -4.704 1.00 62.13 O ATOM 1371 CB GLN A 94 16.280 -12.609 -5.385 1.00 11.44 C ATOM 1372 CG GLN A 94 14.797 -12.783 -5.759 1.00 73.25 C ATOM 1373 CD GLN A 94 14.567 -13.766 -6.920 1.00 3.22 C ATOM 1374 OE1 GLN A 94 15.353 -14.838 -6.993 1.00 5.55 O flip ATOM 1375 NE2 GLN A 94 13.652 -13.588 -7.729 1.00 23.45 N flip ATOM 1376 OXT GLN A 94 18.381 -11.261 -2.658 1.00 36.94 O ATOM 0 H GLN A 94 15.316 -10.003 -3.749 1.00 30.01 H new ATOM 0 HA GLN A 94 16.019 -12.057 -3.332 1.00 23.10 H new ATOM 0 HB2 GLN A 94 16.819 -12.242 -6.259 1.00 11.44 H new ATOM 0 HB3 GLN A 94 16.695 -13.587 -5.142 1.00 11.44 H new ATOM 0 HG2 GLN A 94 14.249 -13.132 -4.884 1.00 73.25 H new ATOM 0 HG3 GLN A 94 14.382 -11.812 -6.028 1.00 73.25 H new ATOM 0 HE21 GLN A 94 13.061 -12.760 -7.656 1.00 23.45 H new ATOM 0 HE22 GLN A 94 13.487 -14.269 -8.470 1.00 23.45 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -6.514 0.240 -5.306 1.00 54.11 ZN HETATM 1387 ZN ZN A 102 3.365 7.188 2.825 1.00 25.32 ZN