USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 74 MET CE :methyl 166:sc= -0.0803 (180deg=-0.637) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 158:sc= 0.94! (180deg=-2.3!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 27 ASN : amide:sc= 0.718 K(o=1.9,f=-8.7!) USER MOD Set 3.1: A 12 THR OG1 : rot -34:sc= 0.586 USER MOD Set 3.2: A 16 SER OG : rot -169:sc= -0.438 USER MOD Single : A 1 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.068) USER MOD Single : A 7 TYR OH : rot 133:sc= 0.445 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 174:sc= 1.22 (180deg=1.02) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 26 HIS : no HD1:sc= -0.274 K(o=-0.27,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -3.31! K(o=-3.3!,f=-0.11) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= 0.176 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.33 USER MOD Single : A 51 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.37) USER MOD Single : A 53 MET CE :methyl -178:sc= -1.73 (180deg=-1.86) USER MOD Single : A 58 MET CE :methyl -132:sc= 0 (180deg=-0.479) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -5:sc= 0.972 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -52:sc= 0.0625 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HEC O2A : rot 166:sc= 0 USER MOD Single : A 90 HEC O2D : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 3.734 -1.491 -17.315 1.00 10.00 N ATOM 2 CA ALA A -3 3.070 -1.779 -16.026 1.00 10.00 C ATOM 3 C ALA A -3 3.241 -3.268 -15.713 1.00 10.00 C ATOM 4 O ALA A -3 2.816 -4.091 -16.517 1.00 10.00 O ATOM 5 CB ALA A -3 1.601 -1.349 -16.059 1.00 10.00 C ATOM 0 H1 ALA A -3 3.541 -0.508 -17.593 1.00 10.00 H new ATOM 0 H2 ALA A -3 4.760 -1.628 -17.215 1.00 10.00 H new ATOM 0 H3 ALA A -3 3.369 -2.135 -18.045 1.00 10.00 H new ATOM 0 HA ALA A -3 3.533 -1.202 -15.226 1.00 10.00 H new ATOM 0 HB1 ALA A -3 1.135 -1.572 -15.099 1.00 10.00 H new ATOM 0 HB2 ALA A -3 1.540 -0.278 -16.252 1.00 10.00 H new ATOM 0 HB3 ALA A -3 1.081 -1.891 -16.849 1.00 10.00 H new ATOM 13 N ASP A -2 3.975 -3.590 -14.643 1.00 10.00 N ATOM 14 CA ASP A -2 4.824 -4.773 -14.638 1.00 10.00 C ATOM 15 C ASP A -2 5.258 -5.145 -13.203 1.00 10.00 C ATOM 16 O ASP A -2 6.117 -4.507 -12.598 1.00 10.00 O ATOM 17 CB ASP A -2 6.004 -4.519 -15.605 1.00 10.00 C ATOM 18 CG ASP A -2 6.560 -3.095 -15.563 1.00 10.00 C ATOM 19 OD1 ASP A -2 5.968 -2.232 -16.256 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.541 -2.861 -14.835 1.00 10.00 O ATOM 0 H ASP A -2 3.995 -3.049 -13.778 1.00 10.00 H new ATOM 0 HA ASP A -2 4.277 -5.646 -14.994 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.808 -5.217 -15.369 1.00 10.00 H new ATOM 0 HB3 ASP A -2 5.679 -4.739 -16.622 1.00 10.00 H new ATOM 25 N LEU A -1 4.656 -6.201 -12.645 1.00 10.00 N ATOM 26 CA LEU A -1 5.018 -6.758 -11.342 1.00 10.00 C ATOM 27 C LEU A -1 6.327 -7.549 -11.448 1.00 10.00 C ATOM 28 O LEU A -1 6.358 -8.773 -11.357 1.00 10.00 O ATOM 29 CB LEU A -1 3.849 -7.608 -10.846 1.00 10.00 C ATOM 30 CG LEU A -1 4.074 -8.241 -9.458 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.331 -7.488 -8.348 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.652 -9.712 -9.510 1.00 10.00 C ATOM 0 H LEU A -1 3.890 -6.700 -13.097 1.00 10.00 H new ATOM 0 HA LEU A -1 5.200 -5.967 -10.615 1.00 10.00 H new ATOM 0 HB2 LEU A -1 2.953 -6.988 -10.810 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.659 -8.402 -11.569 1.00 10.00 H new ATOM 0 HG LEU A -1 5.134 -8.172 -9.212 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.521 -7.972 -7.390 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.682 -6.457 -8.310 1.00 10.00 H new ATOM 0 HD13 LEU A -1 2.261 -7.499 -8.554 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.807 -10.170 -8.533 1.00 10.00 H new ATOM 0 HD22 LEU A -1 2.598 -9.779 -9.779 1.00 10.00 H new ATOM 0 HD23 LEU A -1 4.250 -10.236 -10.255 1.00 10.00 H new ATOM 44 N GLN A 1 7.413 -6.809 -11.663 1.00 10.00 N ATOM 45 CA GLN A 1 8.781 -7.321 -11.693 1.00 10.00 C ATOM 46 C GLN A 1 9.600 -6.855 -10.487 1.00 10.00 C ATOM 47 O GLN A 1 10.566 -7.512 -10.105 1.00 10.00 O ATOM 48 CB GLN A 1 9.454 -6.906 -13.014 1.00 10.00 C ATOM 49 CG GLN A 1 9.850 -8.120 -13.869 1.00 10.00 C ATOM 50 CD GLN A 1 10.902 -9.004 -13.204 1.00 10.00 C ATOM 51 OE1 GLN A 1 12.096 -8.767 -13.324 1.00 10.00 O ATOM 52 NE2 GLN A 1 10.481 -10.058 -12.516 1.00 10.00 N ATOM 0 H GLN A 1 7.363 -5.803 -11.826 1.00 10.00 H new ATOM 0 HA GLN A 1 8.739 -8.409 -11.635 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.775 -6.270 -13.582 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.341 -6.311 -12.797 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.961 -8.716 -14.076 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.231 -7.772 -14.829 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.482 -10.242 -12.425 1.00 10.00 H new ATOM 0 HE22 GLN A 1 11.157 -10.684 -12.078 1.00 10.00 H new ATOM 61 N ASP A 2 9.204 -5.722 -9.908 1.00 10.00 N ATOM 62 CA ASP A 2 9.786 -5.185 -8.694 1.00 10.00 C ATOM 63 C ASP A 2 8.700 -4.461 -7.897 1.00 10.00 C ATOM 64 O ASP A 2 8.183 -3.425 -8.313 1.00 10.00 O ATOM 65 CB ASP A 2 10.959 -4.266 -9.049 1.00 10.00 C ATOM 66 CG ASP A 2 11.734 -3.790 -7.829 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.135 -3.784 -6.731 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.910 -3.423 -8.027 1.00 10.00 O ATOM 0 H ASP A 2 8.452 -5.144 -10.284 1.00 10.00 H new ATOM 0 HA ASP A 2 10.180 -5.986 -8.069 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.637 -4.794 -9.719 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.583 -3.400 -9.594 1.00 10.00 H new ATOM 73 N ALA A 3 8.353 -5.008 -6.743 1.00 10.00 N ATOM 74 CA ALA A 3 7.570 -4.354 -5.712 1.00 10.00 C ATOM 75 C ALA A 3 7.876 -2.855 -5.503 1.00 10.00 C ATOM 76 O ALA A 3 6.939 -2.064 -5.360 1.00 10.00 O ATOM 77 CB ALA A 3 7.784 -5.143 -4.434 1.00 10.00 C ATOM 0 H ALA A 3 8.621 -5.959 -6.491 1.00 10.00 H new ATOM 0 HA ALA A 3 6.527 -4.354 -6.029 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.212 -4.688 -3.625 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.450 -6.170 -4.580 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.843 -5.139 -4.177 1.00 10.00 H new ATOM 83 N GLU A 4 9.154 -2.440 -5.519 1.00 10.00 N ATOM 84 CA GLU A 4 9.502 -1.017 -5.513 1.00 10.00 C ATOM 85 C GLU A 4 8.874 -0.310 -6.713 1.00 10.00 C ATOM 86 O GLU A 4 8.201 0.710 -6.566 1.00 10.00 O ATOM 87 CB GLU A 4 11.021 -0.779 -5.461 1.00 10.00 C ATOM 88 CG GLU A 4 11.346 0.718 -5.655 1.00 10.00 C ATOM 89 CD GLU A 4 12.793 1.079 -5.343 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.620 0.960 -6.270 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.040 1.501 -4.193 1.00 10.00 O ATOM 0 H GLU A 4 9.956 -3.069 -5.536 1.00 10.00 H new ATOM 0 HA GLU A 4 9.092 -0.589 -4.598 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.415 -1.121 -4.504 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.513 -1.366 -6.236 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.126 0.997 -6.685 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.688 1.309 -5.017 1.00 10.00 H new ATOM 98 N ALA A 5 9.026 -0.886 -7.907 1.00 10.00 N ATOM 99 CA ALA A 5 8.507 -0.291 -9.131 1.00 10.00 C ATOM 100 C ALA A 5 6.980 -0.295 -9.118 1.00 10.00 C ATOM 101 O ALA A 5 6.363 0.662 -9.575 1.00 10.00 O ATOM 102 CB ALA A 5 9.048 -1.032 -10.355 1.00 10.00 C ATOM 0 H ALA A 5 9.510 -1.773 -8.048 1.00 10.00 H new ATOM 0 HA ALA A 5 8.842 0.745 -9.187 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.651 -0.575 -11.262 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.136 -0.972 -10.365 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.743 -2.077 -10.312 1.00 10.00 H new ATOM 108 N ILE A 6 6.357 -1.306 -8.509 1.00 10.00 N ATOM 109 CA ILE A 6 4.909 -1.329 -8.355 1.00 10.00 C ATOM 110 C ILE A 6 4.466 -0.199 -7.430 1.00 10.00 C ATOM 111 O ILE A 6 3.623 0.598 -7.840 1.00 10.00 O ATOM 112 CB ILE A 6 4.447 -2.706 -7.855 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.515 -3.744 -8.987 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.049 -2.685 -7.213 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.630 -3.437 -10.202 1.00 10.00 C ATOM 0 H ILE A 6 6.836 -2.117 -8.116 1.00 10.00 H new ATOM 0 HA ILE A 6 4.436 -1.165 -9.323 1.00 10.00 H new ATOM 0 HB ILE A 6 5.139 -2.994 -7.064 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.549 -3.828 -9.321 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.230 -4.717 -8.585 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.785 -3.690 -6.882 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.052 -2.010 -6.357 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.318 -2.340 -7.944 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.747 -4.225 -10.946 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.587 -3.385 -9.889 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.927 -2.482 -10.636 1.00 10.00 H new ATOM 127 N TYR A 7 5.050 -0.035 -6.235 1.00 10.00 N ATOM 128 CA TYR A 7 4.557 1.051 -5.389 1.00 10.00 C ATOM 129 C TYR A 7 4.889 2.423 -5.998 1.00 10.00 C ATOM 130 O TYR A 7 4.051 3.319 -6.021 1.00 10.00 O ATOM 131 CB TYR A 7 4.951 0.896 -3.908 1.00 10.00 C ATOM 132 CG TYR A 7 6.180 1.663 -3.473 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.126 3.062 -3.312 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.392 0.987 -3.275 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.315 3.795 -3.158 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.579 1.721 -3.125 1.00 10.00 C ATOM 137 CZ TYR A 7 8.544 3.121 -3.099 1.00 10.00 C ATOM 138 OH TYR A 7 9.698 3.834 -2.998 1.00 10.00 O ATOM 0 H TYR A 7 5.811 -0.598 -5.855 1.00 10.00 H new ATOM 0 HA TYR A 7 3.469 0.985 -5.371 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.110 1.214 -3.292 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.114 -0.162 -3.703 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.173 3.570 -3.307 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.412 -0.092 -3.238 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.283 4.872 -3.085 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.523 1.204 -3.029 1.00 10.00 H new ATOM 0 HH TYR A 7 10.260 3.449 -2.294 1.00 10.00 H new ATOM 148 N ASN A 8 6.091 2.557 -6.555 1.00 10.00 N ATOM 149 CA ASN A 8 6.621 3.768 -7.163 1.00 10.00 C ATOM 150 C ASN A 8 5.914 4.137 -8.477 1.00 10.00 C ATOM 151 O ASN A 8 5.954 5.289 -8.890 1.00 10.00 O ATOM 152 CB ASN A 8 8.128 3.558 -7.333 1.00 10.00 C ATOM 153 CG ASN A 8 8.901 4.801 -7.738 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.549 5.924 -7.407 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.005 4.603 -8.442 1.00 10.00 N ATOM 0 H ASN A 8 6.753 1.782 -6.595 1.00 10.00 H new ATOM 0 HA ASN A 8 6.433 4.626 -6.518 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.537 3.182 -6.395 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.291 2.785 -8.084 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.582 5.397 -8.720 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.278 3.657 -8.706 1.00 10.00 H new ATOM 162 N LYS A 9 5.281 3.171 -9.154 1.00 10.00 N ATOM 163 CA LYS A 9 4.406 3.398 -10.306 1.00 10.00 C ATOM 164 C LYS A 9 2.918 3.547 -9.920 1.00 10.00 C ATOM 165 O LYS A 9 2.179 4.215 -10.641 1.00 10.00 O ATOM 166 CB LYS A 9 4.634 2.262 -11.312 1.00 10.00 C ATOM 167 CG LYS A 9 4.013 2.506 -12.694 1.00 10.00 C ATOM 168 CD LYS A 9 4.231 1.291 -13.617 1.00 10.00 C ATOM 169 CE LYS A 9 5.690 1.037 -14.043 1.00 10.00 C ATOM 170 NZ LYS A 9 6.185 2.063 -14.986 1.00 10.00 N ATOM 0 H LYS A 9 5.367 2.185 -8.908 1.00 10.00 H new ATOM 0 HA LYS A 9 4.666 4.353 -10.762 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.706 2.108 -11.431 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.223 1.340 -10.900 1.00 10.00 H new ATOM 0 HG2 LYS A 9 2.946 2.701 -12.588 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.456 3.394 -13.145 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.858 0.400 -13.111 1.00 10.00 H new ATOM 0 HD3 LYS A 9 3.627 1.425 -14.514 1.00 10.00 H new ATOM 0 HE2 LYS A 9 6.327 1.022 -13.159 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.765 0.054 -14.507 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 7.170 1.851 -15.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 5.594 2.061 -15.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 6.139 2.999 -14.536 1.00 10.00 H new ATOM 184 N ALA A 10 2.464 2.915 -8.829 1.00 10.00 N ATOM 185 CA ALA A 10 1.044 2.811 -8.458 1.00 10.00 C ATOM 186 C ALA A 10 0.697 3.627 -7.206 1.00 10.00 C ATOM 187 O ALA A 10 -0.052 4.602 -7.282 1.00 10.00 O ATOM 188 CB ALA A 10 0.649 1.343 -8.278 1.00 10.00 C ATOM 0 H ALA A 10 3.085 2.452 -8.166 1.00 10.00 H new ATOM 0 HA ALA A 10 0.466 3.239 -9.277 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.404 1.281 -8.004 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.813 0.805 -9.212 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.256 0.897 -7.490 1.00 10.00 H new ATOM 194 N CYS A 11 1.269 3.282 -6.048 1.00 10.00 N ATOM 195 CA CYS A 11 1.060 3.971 -4.771 1.00 10.00 C ATOM 196 C CYS A 11 1.833 5.311 -4.727 1.00 10.00 C ATOM 197 O CYS A 11 2.414 5.689 -3.714 1.00 10.00 O ATOM 198 CB CYS A 11 1.421 3.064 -3.601 1.00 10.00 C ATOM 199 SG CYS A 11 1.460 1.274 -3.923 1.00 10.00 S ATOM 0 H CYS A 11 1.909 2.492 -5.971 1.00 10.00 H new ATOM 0 HA CYS A 11 0.001 4.211 -4.681 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.402 3.363 -3.231 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.708 3.248 -2.798 1.00 10.00 H new ATOM 204 N THR A 12 1.839 6.046 -5.842 1.00 10.00 N ATOM 205 CA THR A 12 2.769 7.145 -6.087 1.00 10.00 C ATOM 206 C THR A 12 2.101 8.451 -6.488 1.00 10.00 C ATOM 207 O THR A 12 2.766 9.450 -6.755 1.00 10.00 O ATOM 208 CB THR A 12 3.783 6.707 -7.142 1.00 10.00 C ATOM 209 OG1 THR A 12 4.842 7.629 -7.147 1.00 10.00 O ATOM 210 CG2 THR A 12 3.132 6.656 -8.534 1.00 10.00 C ATOM 0 H THR A 12 1.187 5.890 -6.610 1.00 10.00 H new ATOM 0 HA THR A 12 3.265 7.362 -5.141 1.00 10.00 H new ATOM 0 HB THR A 12 4.148 5.708 -6.903 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.496 8.526 -6.956 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.872 6.342 -9.270 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.306 5.945 -8.523 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.756 7.645 -8.796 1.00 10.00 H new ATOM 218 N VAL A 13 0.776 8.429 -6.530 1.00 10.00 N ATOM 219 CA VAL A 13 -0.061 9.552 -6.903 1.00 10.00 C ATOM 220 C VAL A 13 -0.530 10.251 -5.624 1.00 10.00 C ATOM 221 O VAL A 13 -0.551 11.473 -5.514 1.00 10.00 O ATOM 222 CB VAL A 13 -1.235 8.986 -7.716 1.00 10.00 C ATOM 223 CG1 VAL A 13 -2.105 10.134 -8.213 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.746 8.160 -8.916 1.00 10.00 C ATOM 0 H VAL A 13 0.238 7.595 -6.296 1.00 10.00 H new ATOM 0 HA VAL A 13 0.468 10.289 -7.507 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.811 8.328 -7.065 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.939 9.735 -8.790 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.489 10.695 -7.361 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.510 10.795 -8.844 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.604 7.776 -9.467 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -0.146 8.791 -9.572 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.140 7.326 -8.561 1.00 10.00 H new ATOM 234 N CYS A 14 -0.902 9.417 -4.654 1.00 10.00 N ATOM 235 CA CYS A 14 -1.583 9.768 -3.427 1.00 10.00 C ATOM 236 C CYS A 14 -0.594 9.709 -2.258 1.00 10.00 C ATOM 237 O CYS A 14 -0.333 10.715 -1.602 1.00 10.00 O ATOM 238 CB CYS A 14 -2.727 8.792 -3.306 1.00 10.00 C ATOM 239 SG CYS A 14 -3.737 8.910 -4.813 1.00 10.00 S ATOM 0 H CYS A 14 -0.720 8.415 -4.717 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.975 10.785 -3.421 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.349 7.777 -3.180 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.329 9.019 -2.426 1.00 10.00 H new ATOM 244 N HIS A 15 0.005 8.539 -2.036 1.00 10.00 N ATOM 245 CA HIS A 15 0.847 8.256 -0.876 1.00 10.00 C ATOM 246 C HIS A 15 2.236 8.917 -0.938 1.00 10.00 C ATOM 247 O HIS A 15 2.832 9.184 0.105 1.00 10.00 O ATOM 248 CB HIS A 15 0.977 6.737 -0.749 1.00 10.00 C ATOM 249 CG HIS A 15 -0.286 6.045 -0.318 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.601 5.774 0.982 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.215 5.425 -1.110 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.672 4.966 0.980 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.125 4.765 -0.265 1.00 10.00 N ATOM 0 H HIS A 15 -0.084 7.746 -2.671 1.00 10.00 H new ATOM 0 HA HIS A 15 0.367 8.688 0.002 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.292 6.329 -1.709 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.766 6.510 -0.032 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.111 6.123 1.806 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.244 5.440 -2.190 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.112 4.534 1.867 1.00 10.00 H new ATOM 261 N SER A 16 2.751 9.192 -2.144 1.00 10.00 N ATOM 262 CA SER A 16 4.083 9.781 -2.340 1.00 10.00 C ATOM 263 C SER A 16 4.195 11.142 -1.652 1.00 10.00 C ATOM 264 O SER A 16 5.169 11.411 -0.954 1.00 10.00 O ATOM 265 CB SER A 16 4.421 9.910 -3.836 1.00 10.00 C ATOM 266 OG SER A 16 4.999 8.703 -4.300 1.00 10.00 O ATOM 0 H SER A 16 2.253 9.011 -3.016 1.00 10.00 H new ATOM 0 HA SER A 16 4.806 9.106 -1.882 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.519 10.135 -4.405 1.00 10.00 H new ATOM 0 HB3 SER A 16 5.111 10.739 -3.993 1.00 10.00 H new ATOM 0 HG SER A 16 5.370 8.841 -5.196 1.00 10.00 H new ATOM 272 N MET A 17 3.194 12.000 -1.871 1.00 10.00 N ATOM 273 CA MET A 17 3.138 13.339 -1.297 1.00 10.00 C ATOM 274 C MET A 17 2.091 13.439 -0.170 1.00 10.00 C ATOM 275 O MET A 17 2.191 14.316 0.686 1.00 10.00 O ATOM 276 CB MET A 17 2.864 14.336 -2.432 1.00 10.00 C ATOM 277 CG MET A 17 3.466 15.721 -2.157 1.00 10.00 C ATOM 278 SD MET A 17 5.157 15.950 -2.769 1.00 10.00 S ATOM 279 CE MET A 17 5.435 17.667 -2.299 1.00 10.00 C ATOM 0 H MET A 17 2.392 11.777 -2.460 1.00 10.00 H new ATOM 0 HA MET A 17 4.093 13.577 -0.829 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.274 13.944 -3.363 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.788 14.433 -2.574 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.825 16.477 -2.611 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.457 15.899 -1.082 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.436 17.970 -2.604 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.698 18.302 -2.790 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.339 17.768 -1.218 1.00 10.00 H new ATOM 289 N GLY A 18 1.079 12.560 -0.167 1.00 10.00 N ATOM 290 CA GLY A 18 -0.049 12.618 0.764 1.00 10.00 C ATOM 291 C GLY A 18 -1.211 13.459 0.217 1.00 10.00 C ATOM 292 O GLY A 18 -1.631 14.432 0.839 1.00 10.00 O ATOM 0 H GLY A 18 1.023 11.779 -0.821 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.400 11.607 0.970 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.286 13.038 1.712 1.00 10.00 H new ATOM 296 N VAL A 19 -1.734 13.079 -0.953 1.00 10.00 N ATOM 297 CA VAL A 19 -2.840 13.738 -1.653 1.00 10.00 C ATOM 298 C VAL A 19 -4.113 12.891 -1.513 1.00 10.00 C ATOM 299 O VAL A 19 -4.055 11.724 -1.131 1.00 10.00 O ATOM 300 CB VAL A 19 -2.450 13.997 -3.124 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.536 14.738 -3.917 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.172 14.842 -3.185 1.00 10.00 C ATOM 0 H VAL A 19 -1.382 12.267 -1.460 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.048 14.710 -1.205 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.307 13.015 -3.574 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.199 14.888 -4.943 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.452 14.147 -3.919 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.729 15.705 -3.453 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.903 15.021 -4.226 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.342 15.796 -2.686 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.361 14.311 -2.687 1.00 10.00 H new ATOM 312 N ALA A 20 -5.283 13.498 -1.739 1.00 10.00 N ATOM 313 CA ALA A 20 -6.592 12.864 -1.550 1.00 10.00 C ATOM 314 C ALA A 20 -6.784 12.310 -0.125 1.00 10.00 C ATOM 315 O ALA A 20 -7.527 11.358 0.094 1.00 10.00 O ATOM 316 CB ALA A 20 -6.797 11.784 -2.617 1.00 10.00 C ATOM 0 H ALA A 20 -5.348 14.462 -2.065 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.359 13.629 -1.670 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.770 11.313 -2.476 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.754 12.238 -3.607 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.014 11.031 -2.528 1.00 10.00 H new ATOM 322 N GLY A 21 -6.082 12.910 0.841 1.00 10.00 N ATOM 323 CA GLY A 21 -6.067 12.489 2.240 1.00 10.00 C ATOM 324 C GLY A 21 -5.223 11.234 2.504 1.00 10.00 C ATOM 325 O GLY A 21 -5.298 10.668 3.591 1.00 10.00 O ATOM 0 H GLY A 21 -5.493 13.724 0.664 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.685 13.307 2.851 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.091 12.301 2.563 1.00 10.00 H new ATOM 329 N ALA A 22 -4.418 10.779 1.535 1.00 10.00 N ATOM 330 CA ALA A 22 -3.695 9.516 1.649 1.00 10.00 C ATOM 331 C ALA A 22 -2.562 9.539 2.703 1.00 10.00 C ATOM 332 O ALA A 22 -1.859 10.542 2.850 1.00 10.00 O ATOM 333 CB ALA A 22 -3.188 9.108 0.263 1.00 10.00 C ATOM 0 H ALA A 22 -4.254 11.275 0.659 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.391 8.764 2.020 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.646 8.165 0.337 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.034 8.988 -0.413 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.522 9.880 -0.123 1.00 10.00 H new ATOM 339 N PRO A 23 -2.367 8.427 3.434 1.00 10.00 N ATOM 340 CA PRO A 23 -1.370 8.280 4.492 1.00 10.00 C ATOM 341 C PRO A 23 0.033 8.121 3.891 1.00 10.00 C ATOM 342 O PRO A 23 0.182 7.633 2.772 1.00 10.00 O ATOM 343 CB PRO A 23 -1.804 7.026 5.249 1.00 10.00 C ATOM 344 CG PRO A 23 -2.407 6.168 4.153 1.00 10.00 C ATOM 345 CD PRO A 23 -3.134 7.204 3.307 1.00 10.00 C ATOM 0 HA PRO A 23 -1.315 9.150 5.147 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.961 6.532 5.732 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.529 7.255 6.030 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.644 5.638 3.583 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.088 5.416 4.551 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.194 6.886 2.266 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.157 7.346 3.656 1.00 10.00 H new ATOM 353 N LYS A 24 1.071 8.533 4.621 1.00 10.00 N ATOM 354 CA LYS A 24 2.411 8.719 4.060 1.00 10.00 C ATOM 355 C LYS A 24 3.398 7.636 4.517 1.00 10.00 C ATOM 356 O LYS A 24 3.383 7.213 5.673 1.00 10.00 O ATOM 357 CB LYS A 24 2.923 10.121 4.414 1.00 10.00 C ATOM 358 CG LYS A 24 2.054 11.234 3.803 1.00 10.00 C ATOM 359 CD LYS A 24 0.938 11.735 4.736 1.00 10.00 C ATOM 360 CE LYS A 24 1.493 12.518 5.939 1.00 10.00 C ATOM 361 NZ LYS A 24 1.112 11.906 7.232 1.00 10.00 N ATOM 0 H LYS A 24 1.007 8.747 5.616 1.00 10.00 H new ATOM 0 HA LYS A 24 2.337 8.622 2.977 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.944 10.234 5.498 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.949 10.230 4.062 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.694 12.074 3.533 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.605 10.866 2.880 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.256 12.372 4.174 1.00 10.00 H new ATOM 0 HD3 LYS A 24 0.358 10.885 5.095 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.580 12.566 5.868 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.126 13.544 5.903 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 1.360 12.552 8.008 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 0.087 11.728 7.243 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.621 11.007 7.354 1.00 10.00 H new ATOM 375 N SER A 25 4.285 7.193 3.623 1.00 10.00 N ATOM 376 CA SER A 25 5.286 6.156 3.867 1.00 10.00 C ATOM 377 C SER A 25 6.516 6.663 4.634 1.00 10.00 C ATOM 378 O SER A 25 7.650 6.413 4.235 1.00 10.00 O ATOM 379 CB SER A 25 5.665 5.566 2.503 1.00 10.00 C ATOM 380 OG SER A 25 5.924 6.618 1.591 1.00 10.00 O ATOM 0 H SER A 25 4.326 7.562 2.673 1.00 10.00 H new ATOM 0 HA SER A 25 4.862 5.391 4.517 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.545 4.930 2.601 1.00 10.00 H new ATOM 0 HB3 SER A 25 4.857 4.937 2.129 1.00 10.00 H new ATOM 0 HG SER A 25 6.168 6.243 0.719 1.00 10.00 H new ATOM 386 N HIS A 26 6.296 7.355 5.759 1.00 10.00 N ATOM 387 CA HIS A 26 7.396 7.842 6.608 1.00 10.00 C ATOM 388 C HIS A 26 7.105 7.879 8.116 1.00 10.00 C ATOM 389 O HIS A 26 7.981 7.612 8.932 1.00 10.00 O ATOM 390 CB HIS A 26 7.901 9.206 6.096 1.00 10.00 C ATOM 391 CG HIS A 26 7.236 10.391 6.754 1.00 10.00 C ATOM 392 ND1 HIS A 26 7.563 10.902 7.991 1.00 10.00 N ATOM 393 CD2 HIS A 26 6.080 11.004 6.349 1.00 10.00 C ATOM 394 CE1 HIS A 26 6.621 11.802 8.321 1.00 10.00 C ATOM 395 NE2 HIS A 26 5.690 11.893 7.357 1.00 10.00 N ATOM 0 H HIS A 26 5.366 7.592 6.105 1.00 10.00 H new ATOM 0 HA HIS A 26 8.184 7.095 6.514 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.977 9.269 6.259 1.00 10.00 H new ATOM 0 HB3 HIS A 26 7.738 9.262 5.020 1.00 10.00 H new ATOM 0 HD2 HIS A 26 5.562 10.832 5.417 1.00 10.00 H new ATOM 0 HE1 HIS A 26 6.614 12.374 9.237 1.00 10.00 H new ATOM 0 HE2 HIS A 26 4.864 12.491 7.359 1.00 10.00 H new ATOM 403 N ASN A 27 5.891 8.277 8.494 1.00 10.00 N ATOM 404 CA ASN A 27 5.448 8.355 9.880 1.00 10.00 C ATOM 405 C ASN A 27 5.210 6.933 10.386 1.00 10.00 C ATOM 406 O ASN A 27 4.833 6.085 9.585 1.00 10.00 O ATOM 407 CB ASN A 27 4.152 9.196 9.968 1.00 10.00 C ATOM 408 CG ASN A 27 3.183 9.015 8.795 1.00 10.00 C ATOM 409 OD1 ASN A 27 2.600 9.972 8.294 1.00 10.00 O ATOM 410 ND2 ASN A 27 3.035 7.801 8.296 1.00 10.00 N ATOM 0 H ASN A 27 5.173 8.560 7.827 1.00 10.00 H new ATOM 0 HA ASN A 27 6.204 8.839 10.498 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.633 8.940 10.892 1.00 10.00 H new ATOM 0 HB3 ASN A 27 4.424 10.249 10.036 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.432 7.652 7.487 1.00 10.00 H new ATOM 0 HD22 ASN A 27 3.524 7.012 8.720 1.00 10.00 H new ATOM 417 N THR A 28 5.312 6.675 11.689 1.00 10.00 N ATOM 418 CA THR A 28 4.963 5.346 12.199 1.00 10.00 C ATOM 419 C THR A 28 3.525 5.338 12.715 1.00 10.00 C ATOM 420 O THR A 28 2.836 4.339 12.565 1.00 10.00 O ATOM 421 CB THR A 28 5.946 4.890 13.287 1.00 10.00 C ATOM 422 OG1 THR A 28 7.258 4.985 12.777 1.00 10.00 O ATOM 423 CG2 THR A 28 5.701 3.428 13.671 1.00 10.00 C ATOM 0 H THR A 28 5.623 7.344 12.393 1.00 10.00 H new ATOM 0 HA THR A 28 5.037 4.634 11.377 1.00 10.00 H new ATOM 0 HB THR A 28 5.807 5.522 14.164 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.897 4.698 13.462 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.411 3.131 14.443 1.00 10.00 H new ATOM 0 HG22 THR A 28 4.685 3.317 14.050 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.833 2.794 12.794 1.00 10.00 H new ATOM 431 N ALA A 29 3.011 6.465 13.219 1.00 10.00 N ATOM 432 CA ALA A 29 1.654 6.558 13.759 1.00 10.00 C ATOM 433 C ALA A 29 0.542 6.141 12.783 1.00 10.00 C ATOM 434 O ALA A 29 -0.492 5.643 13.210 1.00 10.00 O ATOM 435 CB ALA A 29 1.410 7.984 14.233 1.00 10.00 C ATOM 0 H ALA A 29 3.529 7.342 13.263 1.00 10.00 H new ATOM 0 HA ALA A 29 1.602 5.844 14.581 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.401 8.065 14.638 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.133 8.239 15.008 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.521 8.670 13.394 1.00 10.00 H new ATOM 441 N ASP A 30 0.738 6.350 11.479 1.00 10.00 N ATOM 442 CA ASP A 30 -0.228 5.958 10.456 1.00 10.00 C ATOM 443 C ASP A 30 -0.176 4.438 10.179 1.00 10.00 C ATOM 444 O ASP A 30 -1.184 3.800 9.860 1.00 10.00 O ATOM 445 CB ASP A 30 0.075 6.800 9.210 1.00 10.00 C ATOM 446 CG ASP A 30 -1.160 7.083 8.385 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.009 6.170 8.288 1.00 10.00 O ATOM 448 OD2 ASP A 30 -1.197 8.212 7.850 1.00 10.00 O ATOM 0 H ASP A 30 1.574 6.797 11.104 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.248 6.148 10.789 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.528 7.743 9.515 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.808 6.279 8.594 1.00 10.00 H new ATOM 453 N TRP A 31 1.026 3.868 10.334 1.00 10.00 N ATOM 454 CA TRP A 31 1.374 2.464 10.107 1.00 10.00 C ATOM 455 C TRP A 31 1.102 1.585 11.349 1.00 10.00 C ATOM 456 O TRP A 31 0.683 0.434 11.218 1.00 10.00 O ATOM 457 CB TRP A 31 2.837 2.407 9.610 1.00 10.00 C ATOM 458 CG TRP A 31 3.059 2.999 8.246 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.060 4.325 7.996 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.234 2.370 6.938 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.176 4.576 6.656 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.250 3.406 5.951 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.335 1.041 6.464 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.293 3.151 4.582 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.359 0.775 5.084 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.285 1.827 4.157 1.00 10.00 C ATOM 0 H TRP A 31 1.832 4.413 10.641 1.00 10.00 H new ATOM 0 HA TRP A 31 0.731 2.037 9.337 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.471 2.930 10.326 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.162 1.367 9.597 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.980 5.089 8.755 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.204 5.507 6.240 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.394 0.224 7.168 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.332 3.961 3.869 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.435 -0.244 4.735 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.221 1.605 3.102 1.00 10.00 H new ATOM 477 N GLU A 32 1.272 2.126 12.561 1.00 10.00 N ATOM 478 CA GLU A 32 0.970 1.466 13.834 1.00 10.00 C ATOM 479 C GLU A 32 -0.414 0.777 13.856 1.00 10.00 C ATOM 480 O GLU A 32 -0.465 -0.450 13.986 1.00 10.00 O ATOM 481 CB GLU A 32 1.218 2.466 14.977 1.00 10.00 C ATOM 482 CG GLU A 32 0.750 1.959 16.353 1.00 10.00 C ATOM 483 CD GLU A 32 -0.704 2.302 16.661 1.00 10.00 C ATOM 484 OE1 GLU A 32 -0.956 3.498 16.917 1.00 10.00 O ATOM 485 OE2 GLU A 32 -1.534 1.370 16.605 1.00 10.00 O ATOM 0 H GLU A 32 1.637 3.070 12.685 1.00 10.00 H new ATOM 0 HA GLU A 32 1.648 0.625 13.978 1.00 10.00 H new ATOM 0 HB2 GLU A 32 2.283 2.692 15.026 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.704 3.400 14.749 1.00 10.00 H new ATOM 0 HG2 GLU A 32 0.878 0.877 16.396 1.00 10.00 H new ATOM 0 HG3 GLU A 32 1.388 2.387 17.126 1.00 10.00 H new ATOM 492 N PRO A 33 -1.527 1.489 13.591 1.00 10.00 N ATOM 493 CA PRO A 33 -2.867 0.903 13.558 1.00 10.00 C ATOM 494 C PRO A 33 -3.107 -0.048 12.368 1.00 10.00 C ATOM 495 O PRO A 33 -4.251 -0.400 12.080 1.00 10.00 O ATOM 496 CB PRO A 33 -3.823 2.104 13.543 1.00 10.00 C ATOM 497 CG PRO A 33 -3.004 3.182 12.841 1.00 10.00 C ATOM 498 CD PRO A 33 -1.607 2.925 13.382 1.00 10.00 C ATOM 0 HA PRO A 33 -3.024 0.258 14.423 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.744 1.881 13.004 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -4.109 2.406 14.551 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.045 3.083 11.756 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.357 4.184 13.084 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.846 3.262 12.678 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.442 3.467 14.313 1.00 10.00 H new ATOM 506 N ARG A 34 -2.045 -0.487 11.683 1.00 10.00 N ATOM 507 CA ARG A 34 -2.040 -1.576 10.717 1.00 10.00 C ATOM 508 C ARG A 34 -1.123 -2.702 11.223 1.00 10.00 C ATOM 509 O ARG A 34 -1.561 -3.843 11.387 1.00 10.00 O ATOM 510 CB ARG A 34 -1.626 -1.021 9.344 1.00 10.00 C ATOM 511 CG ARG A 34 -2.763 -0.180 8.745 1.00 10.00 C ATOM 512 CD ARG A 34 -2.770 1.279 9.213 1.00 10.00 C ATOM 513 NE ARG A 34 -4.125 1.656 9.645 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.652 2.884 9.630 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.899 3.958 9.408 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.950 3.024 9.868 1.00 10.00 N ATOM 0 H ARG A 34 -1.123 -0.067 11.798 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.033 -2.010 10.602 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.728 -0.411 9.446 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.379 -1.842 8.672 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.684 -0.202 7.658 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.717 -0.639 9.005 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -2.066 1.410 10.035 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.441 1.932 8.404 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.722 0.905 9.991 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.898 3.854 9.245 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -4.323 4.886 9.401 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.525 2.203 10.058 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.372 3.952 9.861 1.00 10.00 H new ATOM 530 N LEU A 35 0.123 -2.353 11.568 1.00 10.00 N ATOM 531 CA LEU A 35 1.161 -3.265 12.057 1.00 10.00 C ATOM 532 C LEU A 35 0.770 -3.952 13.380 1.00 10.00 C ATOM 533 O LEU A 35 1.338 -4.976 13.752 1.00 10.00 O ATOM 534 CB LEU A 35 2.490 -2.493 12.216 1.00 10.00 C ATOM 535 CG LEU A 35 3.703 -3.179 11.563 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.961 -2.345 11.832 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.938 -4.610 12.053 1.00 10.00 C ATOM 0 H LEU A 35 0.447 -1.388 11.511 1.00 10.00 H new ATOM 0 HA LEU A 35 1.281 -4.059 11.320 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.373 -1.499 11.784 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.693 -2.357 13.278 1.00 10.00 H new ATOM 0 HG LEU A 35 3.487 -3.243 10.496 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.823 -2.828 11.371 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.834 -1.348 11.409 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.122 -2.265 12.907 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.809 -5.029 11.549 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.110 -4.602 13.129 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.062 -5.219 11.830 1.00 10.00 H new ATOM 549 N ALA A 36 -0.202 -3.380 14.098 1.00 10.00 N ATOM 550 CA ALA A 36 -0.689 -3.864 15.380 1.00 10.00 C ATOM 551 C ALA A 36 -1.718 -4.969 15.153 1.00 10.00 C ATOM 552 O ALA A 36 -1.791 -5.929 15.915 1.00 10.00 O ATOM 553 CB ALA A 36 -1.311 -2.696 16.150 1.00 10.00 C ATOM 0 H ALA A 36 -0.684 -2.537 13.785 1.00 10.00 H new ATOM 0 HA ALA A 36 0.135 -4.275 15.963 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.679 -3.050 17.113 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.558 -1.924 16.311 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.139 -2.281 15.575 1.00 10.00 H new ATOM 559 N LYS A 37 -2.510 -4.831 14.083 1.00 10.00 N ATOM 560 CA LYS A 37 -3.398 -5.889 13.640 1.00 10.00 C ATOM 561 C LYS A 37 -2.590 -7.026 13.005 1.00 10.00 C ATOM 562 O LYS A 37 -2.781 -8.190 13.342 1.00 10.00 O ATOM 563 CB LYS A 37 -4.464 -5.318 12.688 1.00 10.00 C ATOM 564 CG LYS A 37 -5.554 -4.561 13.459 1.00 10.00 C ATOM 565 CD LYS A 37 -6.608 -5.554 13.980 1.00 10.00 C ATOM 566 CE LYS A 37 -7.465 -4.973 15.111 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.247 -3.797 14.674 1.00 10.00 N ATOM 0 H LYS A 37 -2.547 -3.987 13.511 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.924 -6.311 14.496 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.992 -4.648 11.970 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.916 -6.129 12.117 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.111 -4.016 14.293 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.026 -3.823 12.810 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.256 -5.854 13.157 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.107 -6.455 14.336 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.144 -5.741 15.481 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.821 -4.689 15.943 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.810 -3.439 15.471 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -7.600 -3.052 14.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.882 -4.071 13.897 1.00 10.00 H new ATOM 581 N GLY A 38 -1.703 -6.686 12.067 1.00 10.00 N ATOM 582 CA GLY A 38 -0.817 -7.646 11.409 1.00 10.00 C ATOM 583 C GLY A 38 -0.234 -7.067 10.115 1.00 10.00 C ATOM 584 O GLY A 38 0.271 -5.950 10.117 1.00 10.00 O ATOM 0 H GLY A 38 -1.579 -5.728 11.741 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.007 -7.920 12.085 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.368 -8.559 11.186 1.00 10.00 H new ATOM 588 N VAL A 39 -0.318 -7.815 9.011 1.00 10.00 N ATOM 589 CA VAL A 39 0.231 -7.414 7.711 1.00 10.00 C ATOM 590 C VAL A 39 -0.784 -7.730 6.610 1.00 10.00 C ATOM 591 O VAL A 39 -1.326 -6.838 5.949 1.00 10.00 O ATOM 592 CB VAL A 39 1.591 -8.110 7.475 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.361 -7.377 6.374 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.476 -8.155 8.732 1.00 10.00 C ATOM 0 H VAL A 39 -0.774 -8.727 8.994 1.00 10.00 H new ATOM 0 HA VAL A 39 0.413 -6.339 7.695 1.00 10.00 H new ATOM 0 HB VAL A 39 1.364 -9.137 7.189 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.319 -7.870 6.210 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.781 -7.395 5.451 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.532 -6.344 6.676 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.415 -8.656 8.498 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.681 -7.139 9.069 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.960 -8.702 9.521 1.00 10.00 H new ATOM 604 N ASP A 40 -1.153 -9.006 6.498 1.00 10.00 N ATOM 605 CA ASP A 40 -2.064 -9.564 5.505 1.00 10.00 C ATOM 606 C ASP A 40 -3.516 -9.044 5.611 1.00 10.00 C ATOM 607 O ASP A 40 -4.413 -9.571 4.957 1.00 10.00 O ATOM 608 CB ASP A 40 -2.027 -11.099 5.622 1.00 10.00 C ATOM 609 CG ASP A 40 -0.650 -11.682 5.919 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.150 -11.375 7.025 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.131 -12.406 5.045 1.00 10.00 O ATOM 0 H ASP A 40 -0.801 -9.718 7.138 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.719 -9.234 4.525 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.714 -11.406 6.410 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.396 -11.530 4.691 1.00 10.00 H new ATOM 616 N ASN A 41 -3.758 -8.000 6.413 1.00 10.00 N ATOM 617 CA ASN A 41 -5.037 -7.340 6.634 1.00 10.00 C ATOM 618 C ASN A 41 -5.172 -6.103 5.744 1.00 10.00 C ATOM 619 O ASN A 41 -6.283 -5.631 5.515 1.00 10.00 O ATOM 620 CB ASN A 41 -5.186 -6.913 8.109 1.00 10.00 C ATOM 621 CG ASN A 41 -4.315 -7.652 9.107 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.357 -8.867 9.234 1.00 10.00 O ATOM 623 ND2 ASN A 41 -3.533 -6.896 9.859 1.00 10.00 N ATOM 0 H ASN A 41 -3.011 -7.570 6.958 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.821 -8.054 6.382 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.965 -5.848 8.182 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.228 -7.043 8.401 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -2.941 -7.324 10.571 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.522 -5.885 9.727 1.00 10.00 H new ATOM 630 N LEU A 42 -4.047 -5.563 5.265 1.00 10.00 N ATOM 631 CA LEU A 42 -4.030 -4.370 4.431 1.00 10.00 C ATOM 632 C LEU A 42 -3.875 -4.726 2.955 1.00 10.00 C ATOM 633 O LEU A 42 -4.594 -4.180 2.119 1.00 10.00 O ATOM 634 CB LEU A 42 -2.934 -3.423 4.908 1.00 10.00 C ATOM 635 CG LEU A 42 -3.288 -2.644 6.189 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.614 -1.876 6.108 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.319 -3.537 7.427 1.00 10.00 C ATOM 0 H LEU A 42 -3.121 -5.948 5.449 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.988 -3.859 4.527 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.024 -3.997 5.085 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.712 -2.711 4.113 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.481 -1.917 6.280 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.790 -1.355 7.049 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.566 -1.152 5.295 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.429 -2.576 5.923 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.573 -2.938 8.301 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.066 -4.319 7.293 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.339 -3.992 7.572 1.00 10.00 H new ATOM 649 N VAL A 43 -3.009 -5.691 2.623 1.00 10.00 N ATOM 650 CA VAL A 43 -2.915 -6.205 1.253 1.00 10.00 C ATOM 651 C VAL A 43 -4.297 -6.647 0.727 1.00 10.00 C ATOM 652 O VAL A 43 -4.649 -6.405 -0.429 1.00 10.00 O ATOM 653 CB VAL A 43 -1.828 -7.295 1.170 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.300 -8.649 1.710 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.305 -7.466 -0.261 1.00 10.00 C ATOM 0 H VAL A 43 -2.366 -6.130 3.282 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.599 -5.406 0.582 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.015 -6.947 1.807 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.492 -9.376 1.625 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.585 -8.544 2.757 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.159 -8.992 1.133 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.541 -8.243 -0.279 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.127 -7.751 -0.917 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.875 -6.526 -0.606 1.00 10.00 H new ATOM 665 N LYS A 44 -5.138 -7.207 1.609 1.00 10.00 N ATOM 666 CA LYS A 44 -6.535 -7.467 1.268 1.00 10.00 C ATOM 667 C LYS A 44 -7.363 -6.192 1.003 1.00 10.00 C ATOM 668 O LYS A 44 -8.111 -6.140 0.030 1.00 10.00 O ATOM 669 CB LYS A 44 -7.196 -8.426 2.262 1.00 10.00 C ATOM 670 CG LYS A 44 -7.095 -7.908 3.693 1.00 10.00 C ATOM 671 CD LYS A 44 -8.260 -8.376 4.564 1.00 10.00 C ATOM 672 CE LYS A 44 -9.414 -7.386 4.370 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.646 -7.848 5.042 1.00 10.00 N ATOM 0 H LYS A 44 -4.874 -7.485 2.554 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.518 -7.979 0.306 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.244 -8.561 1.996 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.722 -9.405 2.194 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.157 -8.245 4.134 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.068 -6.818 3.681 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.568 -9.383 4.282 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -7.962 -8.416 5.612 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.128 -6.411 4.764 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.607 -7.255 3.305 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.406 -7.154 4.890 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -10.933 -8.767 4.648 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.468 -7.949 6.062 1.00 10.00 H new ATOM 687 N SER A 45 -7.228 -5.146 1.825 1.00 10.00 N ATOM 688 CA SER A 45 -7.933 -3.881 1.603 1.00 10.00 C ATOM 689 C SER A 45 -7.496 -3.272 0.270 1.00 10.00 C ATOM 690 O SER A 45 -8.307 -2.710 -0.463 1.00 10.00 O ATOM 691 CB SER A 45 -7.698 -2.895 2.759 1.00 10.00 C ATOM 692 OG SER A 45 -8.733 -3.002 3.721 1.00 10.00 O ATOM 0 H SER A 45 -6.634 -5.152 2.654 1.00 10.00 H new ATOM 0 HA SER A 45 -9.003 -4.086 1.566 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.735 -3.098 3.228 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.656 -1.876 2.373 1.00 10.00 H new ATOM 0 HG SER A 45 -8.568 -2.369 4.451 1.00 10.00 H new ATOM 698 N VAL A 46 -6.214 -3.421 -0.070 1.00 10.00 N ATOM 699 CA VAL A 46 -5.677 -2.972 -1.331 1.00 10.00 C ATOM 700 C VAL A 46 -6.386 -3.670 -2.490 1.00 10.00 C ATOM 701 O VAL A 46 -7.018 -2.995 -3.298 1.00 10.00 O ATOM 702 CB VAL A 46 -4.150 -3.093 -1.300 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.467 -3.041 -2.667 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.552 -2.015 -0.399 1.00 10.00 C ATOM 0 H VAL A 46 -5.523 -3.862 0.537 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.877 -1.914 -1.501 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.957 -4.090 -0.905 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.389 -3.135 -2.539 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.831 -3.860 -3.287 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.694 -2.091 -3.151 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.466 -2.113 -0.386 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.823 -1.031 -0.780 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.939 -2.131 0.613 1.00 10.00 H new ATOM 714 N LYS A 47 -6.362 -5.007 -2.539 1.00 10.00 N ATOM 715 CA LYS A 47 -7.057 -5.774 -3.583 1.00 10.00 C ATOM 716 C LYS A 47 -8.557 -5.450 -3.664 1.00 10.00 C ATOM 717 O LYS A 47 -9.118 -5.357 -4.753 1.00 10.00 O ATOM 718 CB LYS A 47 -6.687 -7.259 -3.471 1.00 10.00 C ATOM 719 CG LYS A 47 -7.624 -8.160 -2.656 1.00 10.00 C ATOM 720 CD LYS A 47 -6.810 -9.237 -1.916 1.00 10.00 C ATOM 721 CE LYS A 47 -6.440 -10.468 -2.762 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.363 -11.287 -2.132 1.00 10.00 N ATOM 0 H LYS A 47 -5.865 -5.586 -1.862 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.705 -5.458 -4.565 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.621 -7.667 -4.480 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.691 -7.326 -3.034 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.185 -7.561 -1.939 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.352 -8.632 -3.316 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.893 -8.784 -1.541 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.380 -9.569 -1.048 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.326 -11.086 -2.906 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.114 -10.142 -3.750 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -4.508 -11.250 -2.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -5.148 -10.910 -1.187 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -5.682 -12.273 -2.046 1.00 10.00 H new ATOM 736 N THR A 48 -9.175 -5.170 -2.517 1.00 10.00 N ATOM 737 CA THR A 48 -10.580 -4.760 -2.444 1.00 10.00 C ATOM 738 C THR A 48 -10.813 -3.330 -2.965 1.00 10.00 C ATOM 739 O THR A 48 -11.851 -3.078 -3.573 1.00 10.00 O ATOM 740 CB THR A 48 -11.078 -4.903 -0.998 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.038 -6.268 -0.634 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.518 -4.422 -0.799 1.00 10.00 C ATOM 0 H THR A 48 -8.715 -5.221 -1.608 1.00 10.00 H new ATOM 0 HA THR A 48 -11.152 -5.418 -3.099 1.00 10.00 H new ATOM 0 HB THR A 48 -10.425 -4.283 -0.383 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.129 -6.506 -0.357 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.804 -4.552 0.245 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.590 -3.368 -1.066 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.187 -5.003 -1.434 1.00 10.00 H new ATOM 750 N GLY A 49 -9.884 -2.391 -2.742 1.00 10.00 N ATOM 751 CA GLY A 49 -10.099 -0.984 -3.073 1.00 10.00 C ATOM 752 C GLY A 49 -10.863 -0.239 -1.968 1.00 10.00 C ATOM 753 O GLY A 49 -12.049 -0.470 -1.743 1.00 10.00 O ATOM 0 H GLY A 49 -8.971 -2.587 -2.331 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.136 -0.500 -3.237 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.655 -0.913 -4.008 1.00 10.00 H new ATOM 757 N LEU A 50 -10.169 0.656 -1.260 1.00 10.00 N ATOM 758 CA LEU A 50 -10.749 1.528 -0.238 1.00 10.00 C ATOM 759 C LEU A 50 -11.512 2.716 -0.875 1.00 10.00 C ATOM 760 O LEU A 50 -11.645 2.804 -2.093 1.00 10.00 O ATOM 761 CB LEU A 50 -9.609 1.989 0.679 1.00 10.00 C ATOM 762 CG LEU A 50 -10.025 2.241 2.141 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.738 1.007 3.004 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.243 3.438 2.679 1.00 10.00 C ATOM 0 H LEU A 50 -9.167 0.797 -1.385 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.491 0.987 0.349 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.821 1.236 0.664 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.182 2.906 0.273 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.095 2.445 2.178 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.039 1.205 4.033 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.299 0.155 2.619 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.672 0.782 2.974 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.530 3.625 3.714 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.175 3.226 2.632 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.465 4.318 2.076 1.00 10.00 H new ATOM 776 N ASN A 51 -12.004 3.666 -0.069 1.00 10.00 N ATOM 777 CA ASN A 51 -12.972 4.698 -0.495 1.00 10.00 C ATOM 778 C ASN A 51 -12.535 5.440 -1.741 1.00 10.00 C ATOM 779 O ASN A 51 -13.235 5.546 -2.742 1.00 10.00 O ATOM 780 CB ASN A 51 -13.165 5.738 0.630 1.00 10.00 C ATOM 781 CG ASN A 51 -13.421 4.993 1.909 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.609 4.976 2.822 1.00 10.00 O ATOM 783 ND2 ASN A 51 -14.385 4.105 1.831 1.00 10.00 N ATOM 0 H ASN A 51 -11.740 3.745 0.913 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.900 4.171 -0.715 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.279 6.366 0.725 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.001 6.399 0.400 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -14.469 3.379 2.543 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.050 4.141 1.059 1.00 10.00 H new ATOM 790 N ALA A 52 -11.338 5.976 -1.592 1.00 10.00 N ATOM 791 CA ALA A 52 -10.647 6.801 -2.547 1.00 10.00 C ATOM 792 C ALA A 52 -9.415 6.046 -3.056 1.00 10.00 C ATOM 793 O ALA A 52 -8.381 6.655 -3.333 1.00 10.00 O ATOM 794 CB ALA A 52 -10.337 8.086 -1.787 1.00 10.00 C ATOM 0 H ALA A 52 -10.792 5.833 -0.742 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.217 7.043 -3.444 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.807 8.777 -2.442 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.268 8.544 -1.452 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.714 7.856 -0.923 1.00 10.00 H new ATOM 800 N MET A 53 -9.531 4.713 -3.170 1.00 10.00 N ATOM 801 CA MET A 53 -8.456 3.875 -3.685 1.00 10.00 C ATOM 802 C MET A 53 -8.979 2.776 -4.638 1.00 10.00 C ATOM 803 O MET A 53 -9.829 1.982 -4.241 1.00 10.00 O ATOM 804 CB MET A 53 -7.672 3.303 -2.496 1.00 10.00 C ATOM 805 CG MET A 53 -6.355 2.728 -3.014 1.00 10.00 C ATOM 806 SD MET A 53 -5.156 2.076 -1.829 1.00 10.00 S ATOM 807 CE MET A 53 -6.058 0.685 -1.134 1.00 10.00 C ATOM 0 H MET A 53 -10.370 4.196 -2.907 1.00 10.00 H new ATOM 0 HA MET A 53 -7.784 4.480 -4.294 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.481 4.082 -1.758 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.253 2.528 -1.997 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.598 1.926 -3.711 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.858 3.510 -3.588 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.454 0.209 -0.362 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.992 1.039 -0.697 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.276 -0.037 -1.921 1.00 10.00 H new ATOM 817 N PRO A 54 -8.484 2.696 -5.888 1.00 10.00 N ATOM 818 CA PRO A 54 -8.960 1.717 -6.865 1.00 10.00 C ATOM 819 C PRO A 54 -8.623 0.275 -6.446 1.00 10.00 C ATOM 820 O PRO A 54 -7.735 0.066 -5.615 1.00 10.00 O ATOM 821 CB PRO A 54 -8.293 2.112 -8.191 1.00 10.00 C ATOM 822 CG PRO A 54 -7.024 2.829 -7.750 1.00 10.00 C ATOM 823 CD PRO A 54 -7.433 3.524 -6.458 1.00 10.00 C ATOM 0 HA PRO A 54 -10.047 1.729 -6.950 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.069 1.239 -8.803 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.935 2.762 -8.786 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.205 2.129 -7.586 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.687 3.544 -8.500 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.588 3.611 -5.775 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.792 4.535 -6.652 1.00 10.00 H new ATOM 831 N PRO A 55 -9.315 -0.730 -7.012 1.00 10.00 N ATOM 832 CA PRO A 55 -9.098 -2.129 -6.668 1.00 10.00 C ATOM 833 C PRO A 55 -7.647 -2.519 -6.963 1.00 10.00 C ATOM 834 O PRO A 55 -7.115 -2.239 -8.037 1.00 10.00 O ATOM 835 CB PRO A 55 -10.119 -2.923 -7.488 1.00 10.00 C ATOM 836 CG PRO A 55 -10.364 -2.025 -8.699 1.00 10.00 C ATOM 837 CD PRO A 55 -10.284 -0.623 -8.094 1.00 10.00 C ATOM 0 HA PRO A 55 -9.243 -2.335 -5.607 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.730 -3.898 -7.781 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.036 -3.102 -6.926 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.613 -2.176 -9.474 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.336 -2.215 -9.155 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.966 0.109 -8.837 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.256 -0.298 -7.722 1.00 10.00 H new ATOM 845 N GLY A 56 -6.970 -3.090 -5.966 1.00 10.00 N ATOM 846 CA GLY A 56 -5.549 -3.385 -6.039 1.00 10.00 C ATOM 847 C GLY A 56 -4.641 -2.168 -5.858 1.00 10.00 C ATOM 848 O GLY A 56 -3.437 -2.268 -6.085 1.00 10.00 O ATOM 0 H GLY A 56 -7.400 -3.360 -5.082 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.304 -4.123 -5.275 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.334 -3.843 -7.005 1.00 10.00 H new ATOM 852 N GLY A 57 -5.172 -1.015 -5.445 1.00 10.00 N ATOM 853 CA GLY A 57 -4.363 0.184 -5.280 1.00 10.00 C ATOM 854 C GLY A 57 -3.727 0.658 -6.600 1.00 10.00 C ATOM 855 O GLY A 57 -2.657 1.260 -6.582 1.00 10.00 O ATOM 0 H GLY A 57 -6.159 -0.891 -5.220 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.983 0.983 -4.873 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.576 -0.011 -4.552 1.00 10.00 H new ATOM 859 N MET A 58 -4.408 0.402 -7.728 1.00 10.00 N ATOM 860 CA MET A 58 -4.047 0.822 -9.089 1.00 10.00 C ATOM 861 C MET A 58 -2.974 -0.100 -9.700 1.00 10.00 C ATOM 862 O MET A 58 -1.911 0.332 -10.142 1.00 10.00 O ATOM 863 CB MET A 58 -3.711 2.330 -9.123 1.00 10.00 C ATOM 864 CG MET A 58 -4.339 3.124 -10.286 1.00 10.00 C ATOM 865 SD MET A 58 -3.418 3.335 -11.833 1.00 10.00 S ATOM 866 CE MET A 58 -3.739 1.789 -12.700 1.00 10.00 C ATOM 0 H MET A 58 -5.275 -0.135 -7.712 1.00 10.00 H new ATOM 0 HA MET A 58 -4.910 0.704 -9.745 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.035 2.778 -8.184 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.628 2.442 -9.173 1.00 10.00 H new ATOM 0 HG2 MET A 58 -5.286 2.644 -10.534 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.576 4.119 -9.910 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.801 1.382 -13.077 1.00 10.00 H new ATOM 0 HE2 MET A 58 -4.195 1.075 -12.014 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.415 1.974 -13.535 1.00 10.00 H new ATOM 876 N CYS A 59 -3.278 -1.400 -9.717 1.00 10.00 N ATOM 877 CA CYS A 59 -2.448 -2.469 -10.277 1.00 10.00 C ATOM 878 C CYS A 59 -3.254 -3.331 -11.267 1.00 10.00 C ATOM 879 O CYS A 59 -4.481 -3.238 -11.295 1.00 10.00 O ATOM 880 CB CYS A 59 -1.888 -3.281 -9.103 1.00 10.00 C ATOM 881 SG CYS A 59 -0.118 -3.632 -9.118 1.00 10.00 S ATOM 0 H CYS A 59 -4.150 -1.752 -9.322 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.620 -2.058 -10.854 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -2.119 -2.747 -8.181 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.421 -4.231 -9.064 1.00 10.00 H new ATOM 886 N THR A 60 -2.576 -4.177 -12.052 1.00 10.00 N ATOM 887 CA THR A 60 -3.213 -5.107 -12.998 1.00 10.00 C ATOM 888 C THR A 60 -2.892 -6.562 -12.622 1.00 10.00 C ATOM 889 O THR A 60 -3.621 -7.179 -11.851 1.00 10.00 O ATOM 890 CB THR A 60 -2.825 -4.754 -14.449 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.246 -3.437 -14.737 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.484 -5.675 -15.482 1.00 10.00 C ATOM 0 H THR A 60 -1.558 -4.237 -12.050 1.00 10.00 H new ATOM 0 HA THR A 60 -4.296 -5.003 -12.934 1.00 10.00 H new ATOM 0 HB THR A 60 -1.743 -4.868 -14.518 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.000 -3.209 -15.658 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.174 -5.378 -16.484 1.00 10.00 H new ATOM 0 HG22 THR A 60 -3.179 -6.705 -15.298 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.568 -5.597 -15.400 1.00 10.00 H new ATOM 900 N ASP A 61 -1.790 -7.114 -13.141 1.00 10.00 N ATOM 901 CA ASP A 61 -1.395 -8.502 -12.948 1.00 10.00 C ATOM 902 C ASP A 61 -0.447 -8.593 -11.744 1.00 10.00 C ATOM 903 O ASP A 61 0.756 -8.814 -11.875 1.00 10.00 O ATOM 904 CB ASP A 61 -0.783 -8.993 -14.266 1.00 10.00 C ATOM 905 CG ASP A 61 -0.370 -10.456 -14.201 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.044 -11.205 -13.462 1.00 10.00 O ATOM 907 OD2 ASP A 61 0.598 -10.794 -14.913 1.00 10.00 O ATOM 0 H ASP A 61 -1.135 -6.589 -13.721 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.238 -9.151 -12.713 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.504 -8.857 -15.072 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.087 -8.383 -14.510 1.00 10.00 H new ATOM 912 N CYS A 62 -0.999 -8.300 -10.565 1.00 10.00 N ATOM 913 CA CYS A 62 -0.245 -8.135 -9.330 1.00 10.00 C ATOM 914 C CYS A 62 -0.701 -9.124 -8.255 1.00 10.00 C ATOM 915 O CYS A 62 -1.893 -9.226 -7.975 1.00 10.00 O ATOM 916 CB CYS A 62 -0.380 -6.685 -8.868 1.00 10.00 C ATOM 917 SG CYS A 62 0.066 -5.463 -10.130 1.00 10.00 S ATOM 0 H CYS A 62 -2.003 -8.169 -10.444 1.00 10.00 H new ATOM 0 HA CYS A 62 0.807 -8.355 -9.513 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.409 -6.509 -8.554 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.251 -6.534 -7.992 1.00 10.00 H new ATOM 922 N THR A 63 0.251 -9.845 -7.651 1.00 10.00 N ATOM 923 CA THR A 63 -0.028 -10.939 -6.719 1.00 10.00 C ATOM 924 C THR A 63 0.694 -10.717 -5.390 1.00 10.00 C ATOM 925 O THR A 63 1.804 -10.176 -5.367 1.00 10.00 O ATOM 926 CB THR A 63 0.379 -12.275 -7.365 1.00 10.00 C ATOM 927 OG1 THR A 63 -0.320 -12.416 -8.583 1.00 10.00 O ATOM 928 CG2 THR A 63 0.022 -13.487 -6.499 1.00 10.00 C ATOM 0 H THR A 63 1.247 -9.682 -7.799 1.00 10.00 H new ATOM 0 HA THR A 63 -1.096 -10.967 -6.504 1.00 10.00 H new ATOM 0 HB THR A 63 1.461 -12.250 -7.498 1.00 10.00 H new ATOM 0 HG1 THR A 63 -0.070 -13.263 -9.008 1.00 10.00 H new ATOM 0 HG21 THR A 63 0.333 -14.401 -7.006 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.534 -13.412 -5.540 1.00 10.00 H new ATOM 0 HG23 THR A 63 -1.055 -13.512 -6.334 1.00 10.00 H new ATOM 936 N ASP A 64 0.058 -11.142 -4.290 1.00 10.00 N ATOM 937 CA ASP A 64 0.534 -11.120 -2.913 1.00 10.00 C ATOM 938 C ASP A 64 2.065 -11.314 -2.774 1.00 10.00 C ATOM 939 O ASP A 64 2.710 -10.558 -2.054 1.00 10.00 O ATOM 940 CB ASP A 64 -0.336 -12.131 -2.161 1.00 10.00 C ATOM 941 CG ASP A 64 -1.815 -11.710 -2.134 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.475 -11.861 -3.185 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.301 -11.219 -1.094 1.00 10.00 O ATOM 0 H ASP A 64 -0.878 -11.541 -4.353 1.00 10.00 H new ATOM 0 HA ASP A 64 0.419 -10.133 -2.464 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.246 -13.109 -2.634 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.030 -12.235 -1.140 1.00 10.00 H new ATOM 948 N GLU A 65 2.651 -12.255 -3.524 1.00 10.00 N ATOM 949 CA GLU A 65 4.092 -12.405 -3.785 1.00 10.00 C ATOM 950 C GLU A 65 4.887 -11.084 -3.738 1.00 10.00 C ATOM 951 O GLU A 65 5.767 -10.920 -2.892 1.00 10.00 O ATOM 952 CB GLU A 65 4.262 -13.075 -5.160 1.00 10.00 C ATOM 953 CG GLU A 65 4.069 -14.599 -5.085 1.00 10.00 C ATOM 954 CD GLU A 65 5.352 -15.326 -4.695 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.634 -15.371 -3.477 1.00 10.00 O ATOM 956 OE2 GLU A 65 6.023 -15.821 -5.625 1.00 10.00 O ATOM 0 H GLU A 65 2.102 -12.975 -3.993 1.00 10.00 H new ATOM 0 HA GLU A 65 4.505 -13.017 -2.983 1.00 10.00 H new ATOM 0 HB2 GLU A 65 3.542 -12.652 -5.861 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.255 -12.854 -5.551 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.289 -14.829 -4.359 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.724 -14.967 -6.051 1.00 10.00 H new ATOM 963 N ASP A 66 4.556 -10.146 -4.634 1.00 10.00 N ATOM 964 CA ASP A 66 5.179 -8.825 -4.719 1.00 10.00 C ATOM 965 C ASP A 66 4.299 -7.726 -4.095 1.00 10.00 C ATOM 966 O ASP A 66 4.825 -6.752 -3.557 1.00 10.00 O ATOM 967 CB ASP A 66 5.600 -8.530 -6.170 1.00 10.00 C ATOM 968 CG ASP A 66 7.094 -8.729 -6.397 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.529 -9.892 -6.281 1.00 10.00 O ATOM 970 OD2 ASP A 66 7.772 -7.709 -6.668 1.00 10.00 O ATOM 0 H ASP A 66 3.830 -10.291 -5.336 1.00 10.00 H new ATOM 0 HA ASP A 66 6.088 -8.828 -4.117 1.00 10.00 H new ATOM 0 HB2 ASP A 66 5.044 -9.180 -6.845 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.331 -7.504 -6.421 1.00 10.00 H new ATOM 975 N TYR A 67 2.968 -7.881 -4.084 1.00 10.00 N ATOM 976 CA TYR A 67 2.089 -6.980 -3.337 1.00 10.00 C ATOM 977 C TYR A 67 2.526 -6.830 -1.872 1.00 10.00 C ATOM 978 O TYR A 67 2.527 -5.725 -1.331 1.00 10.00 O ATOM 979 CB TYR A 67 0.650 -7.510 -3.392 1.00 10.00 C ATOM 980 CG TYR A 67 -0.322 -6.783 -4.289 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.413 -5.379 -4.255 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.259 -7.531 -5.028 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.340 -4.722 -5.079 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.214 -6.871 -5.811 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.218 -5.474 -5.873 1.00 10.00 C ATOM 986 OH TYR A 67 -3.073 -4.855 -6.715 1.00 10.00 O ATOM 0 H TYR A 67 2.479 -8.623 -4.585 1.00 10.00 H new ATOM 0 HA TYR A 67 2.149 -5.996 -3.802 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.686 -8.552 -3.709 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.247 -7.499 -2.379 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.228 -4.810 -3.598 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.241 -8.610 -4.991 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.377 -3.643 -5.101 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.946 -7.440 -6.366 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.007 -3.885 -6.593 1.00 10.00 H new ATOM 996 N LYS A 68 2.922 -7.937 -1.234 1.00 10.00 N ATOM 997 CA LYS A 68 3.445 -7.909 0.124 1.00 10.00 C ATOM 998 C LYS A 68 4.721 -7.077 0.113 1.00 10.00 C ATOM 999 O LYS A 68 4.765 -6.059 0.784 1.00 10.00 O ATOM 1000 CB LYS A 68 3.619 -9.310 0.749 1.00 10.00 C ATOM 1001 CG LYS A 68 4.888 -10.046 0.305 1.00 10.00 C ATOM 1002 CD LYS A 68 5.133 -11.356 1.049 1.00 10.00 C ATOM 1003 CE LYS A 68 6.540 -11.822 0.654 1.00 10.00 C ATOM 1004 NZ LYS A 68 6.912 -13.064 1.352 1.00 10.00 N ATOM 0 H LYS A 68 2.887 -8.869 -1.647 1.00 10.00 H new ATOM 0 HA LYS A 68 2.716 -7.440 0.784 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.631 -9.212 1.834 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.752 -9.919 0.494 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.822 -10.253 -0.763 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.747 -9.390 0.450 1.00 10.00 H new ATOM 0 HD2 LYS A 68 5.061 -11.210 2.127 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.386 -12.102 0.778 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.583 -11.982 -0.423 1.00 10.00 H new ATOM 0 HE3 LYS A 68 7.263 -11.041 0.889 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.869 -13.352 1.063 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.895 -12.903 2.379 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.236 -13.815 1.108 1.00 10.00 H new ATOM 1018 N ALA A 69 5.702 -7.429 -0.728 1.00 10.00 N ATOM 1019 CA ALA A 69 6.974 -6.722 -0.833 1.00 10.00 C ATOM 1020 C ALA A 69 6.760 -5.215 -1.027 1.00 10.00 C ATOM 1021 O ALA A 69 7.518 -4.397 -0.512 1.00 10.00 O ATOM 1022 CB ALA A 69 7.821 -7.357 -1.935 1.00 10.00 C ATOM 0 H ALA A 69 5.628 -8.225 -1.361 1.00 10.00 H new ATOM 0 HA ALA A 69 7.525 -6.821 0.102 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.771 -6.829 -2.013 1.00 10.00 H new ATOM 0 HB2 ALA A 69 8.006 -8.404 -1.694 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.290 -7.292 -2.885 1.00 10.00 H new ATOM 1028 N ALA A 70 5.682 -4.843 -1.723 1.00 10.00 N ATOM 1029 CA ALA A 70 5.342 -3.454 -2.010 1.00 10.00 C ATOM 1030 C ALA A 70 4.911 -2.702 -0.746 1.00 10.00 C ATOM 1031 O ALA A 70 5.282 -1.550 -0.579 1.00 10.00 O ATOM 1032 CB ALA A 70 4.285 -3.386 -3.118 1.00 10.00 C ATOM 0 H ALA A 70 5.014 -5.511 -2.107 1.00 10.00 H new ATOM 0 HA ALA A 70 6.237 -2.948 -2.372 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.040 -2.344 -3.323 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.676 -3.852 -4.023 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.387 -3.914 -2.797 1.00 10.00 H new ATOM 1038 N ILE A 71 4.159 -3.349 0.150 1.00 10.00 N ATOM 1039 CA ILE A 71 3.748 -2.818 1.457 1.00 10.00 C ATOM 1040 C ILE A 71 4.892 -2.936 2.488 1.00 10.00 C ATOM 1041 O ILE A 71 5.238 -1.986 3.195 1.00 10.00 O ATOM 1042 CB ILE A 71 2.456 -3.556 1.868 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.259 -2.960 1.110 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.213 -3.575 3.382 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.158 -4.000 0.880 1.00 10.00 C ATOM 0 H ILE A 71 3.806 -4.291 -0.019 1.00 10.00 H new ATOM 0 HA ILE A 71 3.534 -1.750 1.405 1.00 10.00 H new ATOM 0 HB ILE A 71 2.579 -4.602 1.589 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.854 -2.120 1.673 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.595 -2.568 0.150 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.288 -4.110 3.595 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.045 -4.076 3.878 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.134 -2.552 3.751 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.670 -3.540 0.341 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.556 -4.828 0.294 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.197 -4.373 1.841 1.00 10.00 H new ATOM 1057 N GLU A 72 5.508 -4.116 2.545 1.00 10.00 N ATOM 1058 CA GLU A 72 6.718 -4.443 3.294 1.00 10.00 C ATOM 1059 C GLU A 72 7.829 -3.415 3.068 1.00 10.00 C ATOM 1060 O GLU A 72 8.462 -3.004 4.041 1.00 10.00 O ATOM 1061 CB GLU A 72 7.195 -5.866 2.973 1.00 10.00 C ATOM 1062 CG GLU A 72 6.248 -6.979 3.471 1.00 10.00 C ATOM 1063 CD GLU A 72 6.680 -8.385 3.051 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.453 -8.497 2.076 1.00 10.00 O ATOM 1065 OE2 GLU A 72 6.217 -9.342 3.707 1.00 10.00 O ATOM 0 H GLU A 72 5.150 -4.923 2.034 1.00 10.00 H new ATOM 0 HA GLU A 72 6.465 -4.405 4.353 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.314 -5.962 1.894 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.179 -6.016 3.417 1.00 10.00 H new ATOM 0 HG2 GLU A 72 6.190 -6.936 4.559 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.245 -6.788 3.091 1.00 10.00 H new ATOM 1072 N PHE A 73 8.032 -2.974 1.818 1.00 10.00 N ATOM 1073 CA PHE A 73 8.999 -1.930 1.473 1.00 10.00 C ATOM 1074 C PHE A 73 8.942 -0.744 2.444 1.00 10.00 C ATOM 1075 O PHE A 73 9.975 -0.245 2.884 1.00 10.00 O ATOM 1076 CB PHE A 73 8.759 -1.458 0.031 1.00 10.00 C ATOM 1077 CG PHE A 73 9.764 -0.430 -0.452 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.614 0.929 -0.111 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.870 -0.839 -1.220 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.583 1.867 -0.509 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.814 0.108 -1.654 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.671 1.460 -1.298 1.00 10.00 C ATOM 0 H PHE A 73 7.523 -3.338 1.013 1.00 10.00 H new ATOM 0 HA PHE A 73 9.997 -2.360 1.555 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.789 -2.321 -0.634 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.757 -1.035 -0.041 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.753 1.251 0.457 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.994 -1.881 -1.476 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.491 2.900 -0.208 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.650 -0.204 -2.262 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.398 2.186 -1.631 1.00 10.00 H new ATOM 1092 N MET A 74 7.729 -0.291 2.781 1.00 10.00 N ATOM 1093 CA MET A 74 7.545 0.826 3.691 1.00 10.00 C ATOM 1094 C MET A 74 7.803 0.412 5.147 1.00 10.00 C ATOM 1095 O MET A 74 8.776 0.845 5.759 1.00 10.00 O ATOM 1096 CB MET A 74 6.135 1.398 3.524 1.00 10.00 C ATOM 1097 CG MET A 74 5.897 2.079 2.167 1.00 10.00 C ATOM 1098 SD MET A 74 5.535 1.032 0.735 1.00 10.00 S ATOM 1099 CE MET A 74 3.727 1.119 0.536 1.00 10.00 C ATOM 0 H MET A 74 6.859 -0.690 2.429 1.00 10.00 H new ATOM 0 HA MET A 74 8.273 1.599 3.444 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.410 0.594 3.648 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.950 2.120 4.319 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.069 2.778 2.286 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.782 2.670 1.932 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.449 0.723 -0.441 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.246 0.529 1.316 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.402 2.157 0.613 1.00 10.00 H new ATOM 1109 N SER A 75 6.903 -0.392 5.727 1.00 10.00 N ATOM 1110 CA SER A 75 7.032 -0.834 7.120 1.00 10.00 C ATOM 1111 C SER A 75 6.176 -2.067 7.444 1.00 10.00 C ATOM 1112 O SER A 75 5.705 -2.213 8.569 1.00 10.00 O ATOM 1113 CB SER A 75 6.720 0.333 8.074 1.00 10.00 C ATOM 1114 OG SER A 75 7.335 0.105 9.330 1.00 10.00 O ATOM 0 H SER A 75 6.075 -0.750 5.251 1.00 10.00 H new ATOM 0 HA SER A 75 8.066 -1.147 7.265 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.080 1.269 7.647 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.642 0.433 8.200 1.00 10.00 H new ATOM 0 HG SER A 75 7.089 -0.785 9.658 1.00 10.00 H new ATOM 1120 N LYS A 76 5.979 -2.966 6.468 1.00 10.00 N ATOM 1121 CA LYS A 76 5.175 -4.189 6.596 1.00 10.00 C ATOM 1122 C LYS A 76 3.892 -3.997 7.415 1.00 10.00 C ATOM 1123 O LYS A 76 3.641 -4.710 8.384 1.00 10.00 O ATOM 1124 CB LYS A 76 6.030 -5.398 7.030 1.00 10.00 C ATOM 1125 CG LYS A 76 6.689 -5.290 8.412 1.00 10.00 C ATOM 1126 CD LYS A 76 8.115 -4.731 8.300 1.00 10.00 C ATOM 1127 CE LYS A 76 8.585 -4.222 9.666 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.917 -3.591 9.574 1.00 10.00 N ATOM 0 H LYS A 76 6.388 -2.858 5.540 1.00 10.00 H new ATOM 0 HA LYS A 76 4.811 -4.428 5.597 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.400 -6.287 7.018 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.812 -5.551 6.287 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.091 -4.644 9.055 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.716 -6.272 8.884 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.791 -5.506 7.939 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.141 -3.920 7.572 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.865 -3.502 10.056 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.621 -5.051 10.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 10.208 -3.256 10.515 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 10.607 -4.286 9.225 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.875 -2.785 8.918 1.00 10.00 H new ATOM 1142 N ALA A 77 3.076 -3.027 6.989 1.00 10.00 N ATOM 1143 CA ALA A 77 1.802 -2.719 7.627 1.00 10.00 C ATOM 1144 C ALA A 77 0.707 -2.398 6.613 1.00 10.00 C ATOM 1145 O ALA A 77 -0.308 -3.082 6.582 1.00 10.00 O ATOM 1146 CB ALA A 77 1.970 -1.591 8.651 1.00 10.00 C ATOM 0 H ALA A 77 3.287 -2.433 6.187 1.00 10.00 H new ATOM 0 HA ALA A 77 1.477 -3.615 8.156 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.008 -1.376 9.116 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.683 -1.898 9.416 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.339 -0.696 8.149 1.00 10.00 H new ATOM 1152 N LYS A 78 0.900 -1.335 5.827 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.162 -0.693 5.056 1.00 10.00 C ATOM 1154 C LYS A 78 0.232 -0.255 3.642 1.00 10.00 C ATOM 1155 O LYS A 78 1.419 -0.146 3.290 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.735 0.475 5.891 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.063 1.838 5.663 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.801 2.715 4.639 1.00 10.00 C ATOM 1159 CE LYS A 78 0.157 3.332 3.611 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.636 2.344 2.620 1.00 10.00 N ATOM 1161 OXT LYS A 78 -0.657 0.215 2.916 1.00 10.00 O ATOM 0 H LYS A 78 1.811 -0.892 5.709 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.929 -1.446 4.875 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.798 0.571 5.669 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.652 0.220 6.947 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.005 2.370 6.612 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.961 1.679 5.324 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.550 2.115 4.122 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.334 3.510 5.160 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.348 4.147 3.092 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.012 3.765 4.130 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.956 2.839 1.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.428 1.803 3.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -0.138 1.694 2.376 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.672 3.630 -0.751 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.327 3.990 2.351 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.026 0.823 0.444 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.340 3.160 -3.869 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.144 6.632 -1.767 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.724 2.576 1.031 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.499 2.883 2.132 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.278 1.842 3.103 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.467 0.904 2.511 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.992 1.441 1.263 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.258 -0.499 2.998 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.869 1.745 4.492 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.313 1.235 4.478 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.735 0.609 5.802 1.00 10.00 C HETATM 1190 O1A HEC A 90 -7.457 -0.410 5.724 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.314 1.143 6.853 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.341 2.269 -1.544 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.778 1.236 -0.860 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.875 0.568 -1.758 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.040 1.155 -2.998 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.952 2.268 -2.845 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.045 -0.582 -1.383 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.255 0.825 -4.243 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.378 -0.635 -4.705 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.750 4.706 -2.523 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.154 4.295 -3.678 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.498 5.266 -4.697 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.261 6.251 -4.094 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.416 5.883 -2.706 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.091 5.225 -6.152 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.872 7.494 -4.730 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.466 7.290 -6.122 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.967 5.085 0.156 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.391 6.221 -0.462 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.198 6.957 0.484 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.327 6.179 1.610 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.495 5.010 1.417 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.852 8.303 0.273 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.291 6.450 2.747 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.705 7.198 3.949 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.754 7.533 5.001 1.00 10.00 C HETATM 1217 O1D HEC A 90 -8.952 7.518 4.648 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.332 7.790 6.148 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.088 9.049 0.055 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.548 8.242 -0.563 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.393 8.590 1.175 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -2.004 5.239 -6.226 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.474 4.314 -6.611 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.501 6.092 -6.669 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.730 -0.259 -0.599 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.550 -1.421 -1.022 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.616 -0.892 -2.259 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.846 -0.476 4.007 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.212 -1.027 3.008 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.564 -1.015 2.334 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.922 6.591 4.403 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.235 8.119 3.605 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.688 6.945 -6.803 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -6.261 6.546 -6.073 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.874 8.233 -6.485 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.017 -1.297 -3.918 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.422 -0.862 -4.920 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.218 -0.783 -5.606 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.983 2.062 4.244 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.425 0.499 3.682 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.131 7.026 2.358 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.691 5.498 3.095 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.257 1.078 5.099 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.838 2.726 4.967 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.541 7.597 -2.082 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.985 2.956 -4.879 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.451 -0.010 0.848 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.865 4.057 3.296 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.045 8.210 6.673 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.819 0.799 7.619 1.00 10.00 H new