USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HD1:sc= -1.29 X(o=-3,f=-3.3) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.69 X(o=-3,f=-3.4) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.0832 K(o=0.86,f=-3.8!) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.773 K(o=0.86,f=-4.1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -134:sc= 0.688 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-1.6) USER MOD Single : A 16 ASN : amide:sc= -0.7 K(o=-0.7,f=-3.7!) USER MOD Single : A 20 SER OG : rot 45:sc= 0.571 USER MOD Single : A 21 THR OG1 : rot -70:sc= 0.275 USER MOD Single : A 26 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.548) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.726 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 20:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 71 SER OG : rot -41:sc= 0.28 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.358 K(o=-0.36,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.812 -8.460 -14.282 1.00 10.00 N ATOM 30 CA LYS A 5 -2.645 -9.499 -13.709 1.00 10.00 C ATOM 31 C LYS A 5 -3.257 -8.909 -12.447 1.00 10.00 C ATOM 32 O LYS A 5 -2.594 -8.821 -11.415 1.00 10.00 O ATOM 33 CB LYS A 5 -1.801 -10.751 -13.446 1.00 10.00 C ATOM 34 CG LYS A 5 -2.669 -11.941 -13.007 1.00 10.00 C ATOM 35 CD LYS A 5 -1.800 -13.206 -12.902 1.00 10.00 C ATOM 36 CE LYS A 5 -1.731 -13.744 -11.464 1.00 10.00 C ATOM 37 NZ LYS A 5 -0.491 -14.512 -11.220 1.00 10.00 N ATOM 0 HA LYS A 5 -3.444 -9.817 -14.379 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.251 -11.015 -14.349 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.062 -10.536 -12.674 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.136 -11.728 -12.045 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.475 -12.100 -13.724 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.203 -13.977 -13.558 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.793 -12.983 -13.254 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.786 -12.912 -10.762 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.595 -14.380 -11.273 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.484 -14.857 -10.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.450 -15.321 -11.872 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.334 -13.899 -11.377 1.00 10.00 H new ATOM 51 N TYR A 6 -4.503 -8.452 -12.568 1.00 10.00 N ATOM 52 CA TYR A 6 -5.252 -7.871 -11.469 1.00 10.00 C ATOM 53 C TYR A 6 -5.282 -8.822 -10.270 1.00 10.00 C ATOM 54 O TYR A 6 -5.212 -10.039 -10.448 1.00 10.00 O ATOM 55 CB TYR A 6 -6.676 -7.546 -11.922 1.00 10.00 C ATOM 56 CG TYR A 6 -6.793 -6.744 -13.201 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.784 -5.342 -13.146 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.971 -7.394 -14.437 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.926 -4.587 -14.323 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.113 -6.641 -15.614 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.093 -5.236 -15.557 1.00 10.00 C ATOM 62 OH TYR A 6 -7.280 -4.501 -16.688 1.00 10.00 O ATOM 0 H TYR A 6 -5.022 -8.478 -13.446 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.757 -6.950 -11.161 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.219 -8.482 -12.052 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.175 -6.996 -11.124 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.668 -4.841 -12.196 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.998 -8.473 -14.480 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.907 -3.508 -14.278 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.238 -7.141 -16.563 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.378 -5.102 -17.456 1.00 10.00 H new ATOM 72 N TYR A 7 -5.402 -8.269 -9.062 1.00 10.00 N ATOM 73 CA TYR A 7 -5.408 -9.039 -7.827 1.00 10.00 C ATOM 74 C TYR A 7 -6.729 -8.823 -7.097 1.00 10.00 C ATOM 75 O TYR A 7 -7.254 -7.708 -7.058 1.00 10.00 O ATOM 76 CB TYR A 7 -4.231 -8.619 -6.948 1.00 10.00 C ATOM 77 CG TYR A 7 -2.866 -8.806 -7.586 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.446 -10.090 -7.983 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.010 -7.706 -7.778 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.216 -10.258 -8.643 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.779 -7.874 -8.434 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.405 -9.140 -8.907 1.00 10.00 C ATOM 83 OH TYR A 7 0.751 -9.281 -9.614 1.00 10.00 O ATOM 0 H TYR A 7 -5.498 -7.264 -8.917 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.305 -10.099 -8.057 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.351 -7.569 -6.680 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.265 -9.191 -6.021 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -3.070 -10.948 -7.780 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.300 -6.729 -7.420 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.895 -11.243 -8.947 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.121 -7.029 -8.574 1.00 10.00 H new ATOM 0 HH TYR A 7 1.187 -8.408 -9.705 1.00 10.00 H new ATOM 93 N THR A 8 -7.272 -9.911 -6.554 1.00 10.00 N ATOM 94 CA THR A 8 -8.494 -9.917 -5.772 1.00 10.00 C ATOM 95 C THR A 8 -8.188 -9.365 -4.382 1.00 10.00 C ATOM 96 O THR A 8 -7.058 -9.471 -3.902 1.00 10.00 O ATOM 97 CB THR A 8 -9.012 -11.363 -5.684 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.043 -12.143 -5.001 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.286 -11.925 -7.085 1.00 10.00 C ATOM 0 H THR A 8 -6.857 -10.837 -6.653 1.00 10.00 H new ATOM 0 HA THR A 8 -9.259 -9.295 -6.237 1.00 10.00 H new ATOM 0 HB THR A 8 -9.954 -11.390 -5.136 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.894 -12.980 -5.489 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.652 -12.948 -7.001 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.037 -11.311 -7.583 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.365 -11.915 -7.668 1.00 10.00 H new ATOM 107 N LEU A 9 -9.202 -8.809 -3.713 1.00 10.00 N ATOM 108 CA LEU A 9 -9.073 -8.380 -2.328 1.00 10.00 C ATOM 109 C LEU A 9 -8.506 -9.525 -1.484 1.00 10.00 C ATOM 110 O LEU A 9 -7.650 -9.297 -0.639 1.00 10.00 O ATOM 111 CB LEU A 9 -10.432 -7.899 -1.795 1.00 10.00 C ATOM 112 CG LEU A 9 -10.350 -6.532 -1.089 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.743 -6.047 -0.659 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.450 -6.557 0.152 1.00 10.00 C ATOM 0 H LEU A 9 -10.125 -8.647 -4.116 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.380 -7.541 -2.266 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.138 -7.833 -2.623 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.826 -8.639 -1.098 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.917 -5.850 -1.821 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.655 -5.080 -0.163 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.381 -5.948 -1.537 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.183 -6.769 0.029 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.431 -5.567 0.607 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.840 -7.279 0.870 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.439 -6.843 -0.138 1.00 10.00 H new ATOM 126 N GLU A 10 -8.955 -10.757 -1.743 1.00 10.00 N ATOM 127 CA GLU A 10 -8.446 -11.960 -1.088 1.00 10.00 C ATOM 128 C GLU A 10 -6.928 -12.086 -1.238 1.00 10.00 C ATOM 129 O GLU A 10 -6.195 -12.083 -0.249 1.00 10.00 O ATOM 130 CB GLU A 10 -9.149 -13.207 -1.637 1.00 10.00 C ATOM 131 CG GLU A 10 -8.939 -14.431 -0.732 1.00 10.00 C ATOM 132 CD GLU A 10 -9.629 -14.287 0.618 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.875 -14.374 0.629 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.895 -14.094 1.611 1.00 10.00 O ATOM 0 H GLU A 10 -9.692 -10.946 -2.423 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.664 -11.875 -0.023 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.216 -13.008 -1.736 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.772 -13.426 -2.636 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.318 -15.320 -1.236 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.871 -14.584 -0.576 1.00 10.00 H new ATOM 141 N GLU A 11 -6.441 -12.203 -2.476 1.00 10.00 N ATOM 142 CA GLU A 11 -5.011 -12.334 -2.716 1.00 10.00 C ATOM 143 C GLU A 11 -4.261 -11.189 -2.042 1.00 10.00 C ATOM 144 O GLU A 11 -3.287 -11.410 -1.333 1.00 10.00 O ATOM 145 CB GLU A 11 -4.708 -12.400 -4.220 1.00 10.00 C ATOM 146 CG GLU A 11 -4.339 -13.829 -4.634 1.00 10.00 C ATOM 147 CD GLU A 11 -5.482 -14.801 -4.364 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.570 -14.567 -4.940 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.244 -15.743 -3.574 1.00 10.00 O ATOM 0 H GLU A 11 -7.015 -12.209 -3.319 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.666 -13.271 -2.278 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.577 -12.064 -4.786 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.889 -11.723 -4.461 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.086 -13.848 -5.694 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.451 -14.149 -4.089 1.00 10.00 H new ATOM 156 N ILE A 12 -4.736 -9.962 -2.226 1.00 10.00 N ATOM 157 CA ILE A 12 -4.142 -8.801 -1.584 1.00 10.00 C ATOM 158 C ILE A 12 -4.099 -8.994 -0.056 1.00 10.00 C ATOM 159 O ILE A 12 -3.060 -8.784 0.569 1.00 10.00 O ATOM 160 CB ILE A 12 -4.905 -7.541 -2.030 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.889 -7.400 -3.562 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.339 -6.268 -1.389 1.00 10.00 C ATOM 163 CD1 ILE A 12 -3.645 -6.683 -4.062 1.00 10.00 C ATOM 0 H ILE A 12 -5.537 -9.748 -2.820 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.104 -8.676 -1.892 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.934 -7.662 -1.691 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -4.943 -8.389 -4.016 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -5.775 -6.853 -3.884 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.908 -5.404 -1.732 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.413 -6.343 -0.304 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.294 -6.151 -1.674 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -3.680 -6.608 -5.149 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -3.603 -5.683 -3.631 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -2.758 -7.243 -3.765 1.00 10.00 H new ATOM 175 N GLN A 13 -5.201 -9.446 0.551 1.00 10.00 N ATOM 176 CA GLN A 13 -5.293 -9.755 1.965 1.00 10.00 C ATOM 177 C GLN A 13 -4.325 -10.853 2.388 1.00 10.00 C ATOM 178 O GLN A 13 -3.843 -10.819 3.514 1.00 10.00 O ATOM 179 CB GLN A 13 -6.726 -10.144 2.344 1.00 10.00 C ATOM 180 CG GLN A 13 -7.628 -8.932 2.590 1.00 10.00 C ATOM 181 CD GLN A 13 -8.482 -9.129 3.836 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.978 -9.096 4.954 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.780 -9.359 3.662 1.00 10.00 N ATOM 0 H GLN A 13 -6.074 -9.609 0.050 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.012 -8.848 2.501 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.154 -10.753 1.548 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.704 -10.762 3.242 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.017 -8.036 2.702 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.272 -8.772 1.725 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -10.172 -9.381 2.721 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.383 -9.514 4.470 1.00 10.00 H new ATOM 192 N LYS A 14 -3.997 -11.818 1.528 1.00 10.00 N ATOM 193 CA LYS A 14 -2.973 -12.790 1.886 1.00 10.00 C ATOM 194 C LYS A 14 -1.625 -12.109 2.187 1.00 10.00 C ATOM 195 O LYS A 14 -0.781 -12.706 2.854 1.00 10.00 O ATOM 196 CB LYS A 14 -2.857 -13.886 0.816 1.00 10.00 C ATOM 197 CG LYS A 14 -4.111 -14.768 0.775 1.00 10.00 C ATOM 198 CD LYS A 14 -3.972 -15.849 -0.309 1.00 10.00 C ATOM 199 CE LYS A 14 -5.029 -16.947 -0.138 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.669 -17.892 0.939 1.00 10.00 N ATOM 0 H LYS A 14 -4.413 -11.944 0.605 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.280 -13.280 2.810 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.702 -13.427 -0.161 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.983 -14.504 1.020 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.265 -15.237 1.747 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.989 -14.154 0.574 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.073 -15.394 -1.294 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.976 -16.289 -0.261 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.994 -16.491 0.086 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.143 -17.491 -1.076 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.408 -18.619 1.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -3.761 -18.346 0.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.585 -17.377 1.839 1.00 10.00 H new ATOM 214 N HIS A 15 -1.411 -10.870 1.721 1.00 10.00 N ATOM 215 CA HIS A 15 -0.167 -10.136 1.896 1.00 10.00 C ATOM 216 C HIS A 15 -0.357 -9.042 2.963 1.00 10.00 C ATOM 217 O HIS A 15 -0.410 -7.852 2.637 1.00 10.00 O ATOM 218 CB HIS A 15 0.298 -9.566 0.541 1.00 10.00 C ATOM 219 CG HIS A 15 0.668 -10.580 -0.524 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.763 -10.512 -1.360 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.090 -11.638 -0.953 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.680 -11.530 -2.233 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.569 -12.248 -2.023 1.00 10.00 N ATOM 0 H HIS A 15 -2.117 -10.347 1.203 1.00 10.00 H new ATOM 0 HA HIS A 15 0.618 -10.804 2.251 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.495 -8.930 0.147 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.162 -8.925 0.718 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.036 -11.948 -0.535 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.410 -11.741 -3.000 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.265 -13.073 -2.540 1.00 10.00 H new ATOM 231 N ASN A 16 -0.424 -9.446 4.243 1.00 10.00 N ATOM 232 CA ASN A 16 -0.544 -8.531 5.388 1.00 10.00 C ATOM 233 C ASN A 16 -0.174 -9.176 6.730 1.00 10.00 C ATOM 234 O ASN A 16 -0.848 -8.957 7.736 1.00 10.00 O ATOM 235 CB ASN A 16 -1.959 -7.934 5.464 1.00 10.00 C ATOM 236 CG ASN A 16 -3.055 -8.977 5.692 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.782 -10.123 6.043 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.313 -8.598 5.479 1.00 10.00 N ATOM 0 H ASN A 16 -0.396 -10.429 4.513 1.00 10.00 H new ATOM 0 HA ASN A 16 0.181 -7.737 5.211 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.992 -7.202 6.271 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.167 -7.397 4.539 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.075 -9.264 5.607 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.515 -7.641 5.188 1.00 10.00 H new ATOM 292 N SER A 20 5.172 -9.433 3.389 1.00 10.00 N ATOM 293 CA SER A 20 4.532 -8.897 2.199 1.00 10.00 C ATOM 294 C SER A 20 3.447 -7.892 2.587 1.00 10.00 C ATOM 295 O SER A 20 2.375 -8.317 3.001 1.00 10.00 O ATOM 296 CB SER A 20 3.946 -10.076 1.428 1.00 10.00 C ATOM 297 OG SER A 20 3.194 -10.863 2.326 1.00 10.00 O ATOM 0 HA SER A 20 5.250 -8.365 1.576 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.314 -9.721 0.614 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.742 -10.669 0.978 1.00 10.00 H new ATOM 0 HG SER A 20 2.640 -10.281 2.886 1.00 10.00 H new ATOM 303 N THR A 21 3.742 -6.595 2.496 1.00 10.00 N ATOM 304 CA THR A 21 2.828 -5.512 2.846 1.00 10.00 C ATOM 305 C THR A 21 2.256 -4.912 1.558 1.00 10.00 C ATOM 306 O THR A 21 2.849 -3.997 0.984 1.00 10.00 O ATOM 307 CB THR A 21 3.580 -4.495 3.721 1.00 10.00 C ATOM 308 OG1 THR A 21 4.146 -5.184 4.825 1.00 10.00 O ATOM 309 CG2 THR A 21 2.663 -3.412 4.277 1.00 10.00 C ATOM 0 H THR A 21 4.648 -6.262 2.168 1.00 10.00 H new ATOM 0 HA THR A 21 1.980 -5.868 3.431 1.00 10.00 H new ATOM 0 HB THR A 21 4.335 -4.019 3.095 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.432 -5.472 5.432 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.244 -2.721 4.887 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.201 -2.868 3.453 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.887 -3.871 4.889 1.00 10.00 H new ATOM 317 N TRP A 22 1.130 -5.466 1.090 1.00 10.00 N ATOM 318 CA TRP A 22 0.385 -4.970 -0.066 1.00 10.00 C ATOM 319 C TRP A 22 -0.822 -4.178 0.421 1.00 10.00 C ATOM 320 O TRP A 22 -1.052 -4.121 1.622 1.00 10.00 O ATOM 321 CB TRP A 22 -0.075 -6.154 -0.917 1.00 10.00 C ATOM 322 CG TRP A 22 0.987 -6.865 -1.694 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.318 -6.714 -1.544 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.823 -7.753 -2.836 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.981 -7.388 -2.540 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.107 -8.042 -3.384 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.291 -8.327 -3.474 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.266 -8.828 -4.537 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.153 -9.105 -4.632 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.123 -9.348 -5.174 1.00 10.00 C ATOM 0 H TRP A 22 0.705 -6.289 1.517 1.00 10.00 H new ATOM 0 HA TRP A 22 1.021 -4.323 -0.670 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.562 -6.877 -0.262 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.831 -5.799 -1.617 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.793 -6.147 -0.757 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.996 -7.403 -2.643 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.276 -8.165 -3.062 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.251 -9.031 -4.930 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.029 -9.519 -5.110 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.225 -9.932 -6.077 1.00 10.00 H new ATOM 341 N LEU A 23 -1.594 -3.560 -0.478 1.00 10.00 N ATOM 342 CA LEU A 23 -2.757 -2.744 -0.144 1.00 10.00 C ATOM 343 C LEU A 23 -3.367 -2.189 -1.422 1.00 10.00 C ATOM 344 O LEU A 23 -2.748 -2.306 -2.480 1.00 10.00 O ATOM 345 CB LEU A 23 -2.418 -1.610 0.836 1.00 10.00 C ATOM 346 CG LEU A 23 -1.047 -0.949 0.622 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.111 0.067 -0.512 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.622 -0.262 1.916 1.00 10.00 C ATOM 0 H LEU A 23 -1.420 -3.617 -1.481 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.481 -3.382 0.362 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.189 -0.843 0.760 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.459 -2.004 1.851 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.318 -1.713 0.351 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.130 0.524 -0.647 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.408 -0.434 -1.433 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.840 0.839 -0.268 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.350 0.210 1.775 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.358 0.496 2.184 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.554 -1.001 2.715 1.00 10.00 H new ATOM 360 N ILE A 24 -4.565 -1.601 -1.314 1.00 10.00 N ATOM 361 CA ILE A 24 -5.306 -1.036 -2.437 1.00 10.00 C ATOM 362 C ILE A 24 -5.513 0.462 -2.200 1.00 10.00 C ATOM 363 O ILE A 24 -6.208 0.865 -1.260 1.00 10.00 O ATOM 364 CB ILE A 24 -6.633 -1.789 -2.631 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.358 -3.243 -3.055 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.497 -1.107 -3.704 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.431 -4.212 -2.535 1.00 10.00 C ATOM 0 H ILE A 24 -5.052 -1.505 -0.423 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.739 -1.154 -3.360 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.170 -1.776 -1.682 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.315 -3.301 -4.143 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.381 -3.550 -2.681 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.430 -1.657 -3.824 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.716 -0.084 -3.399 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.958 -1.096 -4.652 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.194 -5.225 -2.859 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.456 -4.176 -1.446 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.405 -3.923 -2.930 1.00 10.00 H new ATOM 379 N LEU A 25 -4.887 1.277 -3.055 1.00 10.00 N ATOM 380 CA LEU A 25 -4.992 2.730 -3.075 1.00 10.00 C ATOM 381 C LEU A 25 -5.608 3.110 -4.421 1.00 10.00 C ATOM 382 O LEU A 25 -4.907 3.170 -5.423 1.00 10.00 O ATOM 383 CB LEU A 25 -3.597 3.357 -2.892 1.00 10.00 C ATOM 384 CG LEU A 25 -3.093 3.671 -1.481 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.747 2.810 -0.430 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.569 3.544 -1.421 1.00 10.00 C ATOM 0 H LEU A 25 -4.267 0.921 -3.782 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.616 3.101 -2.262 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.874 2.686 -3.356 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.579 4.287 -3.460 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.372 4.701 -1.259 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.354 3.073 0.552 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.825 2.973 -0.445 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.536 1.761 -0.636 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.225 3.770 -0.412 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.278 2.527 -1.685 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.118 4.244 -2.124 1.00 10.00 H new ATOM 398 N HIS A 26 -6.920 3.353 -4.460 1.00 10.00 N ATOM 399 CA HIS A 26 -7.652 3.766 -5.657 1.00 10.00 C ATOM 400 C HIS A 26 -7.649 2.656 -6.704 1.00 10.00 C ATOM 401 O HIS A 26 -7.269 2.870 -7.854 1.00 10.00 O ATOM 402 CB HIS A 26 -7.120 5.081 -6.248 1.00 10.00 C ATOM 403 CG HIS A 26 -6.943 6.179 -5.240 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.898 7.085 -4.842 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.804 6.429 -4.527 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.338 7.866 -3.904 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.068 7.496 -3.670 1.00 10.00 N ATOM 0 H HIS A 26 -7.517 3.265 -3.638 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.681 3.953 -5.351 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.162 4.888 -6.731 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.806 5.422 -7.024 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.869 5.896 -4.612 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.841 8.681 -3.405 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.424 7.913 -2.998 1.00 10.00 H new ATOM 415 N TYR A 27 -8.068 1.457 -6.292 1.00 10.00 N ATOM 416 CA TYR A 27 -8.164 0.292 -7.161 1.00 10.00 C ATOM 417 C TYR A 27 -6.806 -0.099 -7.755 1.00 10.00 C ATOM 418 O TYR A 27 -6.766 -0.825 -8.743 1.00 10.00 O ATOM 419 CB TYR A 27 -9.201 0.536 -8.273 1.00 10.00 C ATOM 420 CG TYR A 27 -10.525 1.129 -7.828 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.193 0.625 -6.697 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.123 2.150 -8.590 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.489 1.067 -6.386 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.394 2.635 -8.242 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.093 2.068 -7.164 1.00 10.00 C ATOM 426 OH TYR A 27 -14.377 2.449 -6.921 1.00 10.00 O ATOM 0 H TYR A 27 -8.353 1.270 -5.331 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.496 -0.547 -6.549 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.759 1.200 -9.015 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.400 -0.412 -8.772 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.707 -0.104 -6.066 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.604 2.561 -9.443 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.021 0.638 -5.550 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.835 3.445 -8.804 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.634 3.153 -7.552 1.00 10.00 H new ATOM 436 N LYS A 28 -5.701 0.367 -7.166 1.00 10.00 N ATOM 437 CA LYS A 28 -4.347 0.118 -7.627 1.00 10.00 C ATOM 438 C LYS A 28 -3.585 -0.548 -6.488 1.00 10.00 C ATOM 439 O LYS A 28 -3.675 -0.093 -5.344 1.00 10.00 O ATOM 440 CB LYS A 28 -3.695 1.438 -8.050 1.00 10.00 C ATOM 441 CG LYS A 28 -4.333 2.069 -9.294 1.00 10.00 C ATOM 442 CD LYS A 28 -3.319 2.098 -10.444 1.00 10.00 C ATOM 443 CE LYS A 28 -3.876 2.868 -11.650 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.217 2.462 -12.910 1.00 10.00 N ATOM 0 H LYS A 28 -5.734 0.947 -6.327 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.339 -0.539 -8.497 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.756 2.145 -7.223 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.636 1.265 -8.243 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.215 1.500 -9.589 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.668 3.081 -9.068 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.394 2.565 -10.106 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.072 1.079 -10.741 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.949 2.695 -11.728 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.737 3.938 -11.495 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.784 2.787 -13.719 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.269 2.888 -12.959 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.133 1.426 -12.940 1.00 10.00 H new ATOM 458 N VAL A 29 -2.879 -1.640 -6.795 1.00 10.00 N ATOM 459 CA VAL A 29 -2.123 -2.417 -5.839 1.00 10.00 C ATOM 460 C VAL A 29 -0.669 -1.953 -5.836 1.00 10.00 C ATOM 461 O VAL A 29 -0.040 -1.847 -6.893 1.00 10.00 O ATOM 462 CB VAL A 29 -2.206 -3.898 -6.205 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.567 -4.690 -5.059 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.666 -4.292 -6.458 1.00 10.00 C ATOM 0 H VAL A 29 -2.823 -2.009 -7.744 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.539 -2.275 -4.842 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.667 -4.117 -7.127 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.608 -5.755 -5.286 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.528 -4.384 -4.941 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.110 -4.495 -4.134 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.718 -5.349 -6.718 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.253 -4.111 -5.558 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.067 -3.696 -7.278 1.00 10.00 H new ATOM 474 N TYR A 30 -0.131 -1.722 -4.639 1.00 10.00 N ATOM 475 CA TYR A 30 1.229 -1.258 -4.432 1.00 10.00 C ATOM 476 C TYR A 30 1.962 -2.250 -3.537 1.00 10.00 C ATOM 477 O TYR A 30 1.494 -2.512 -2.429 1.00 10.00 O ATOM 478 CB TYR A 30 1.168 0.124 -3.782 1.00 10.00 C ATOM 479 CG TYR A 30 0.502 1.161 -4.658 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.256 1.822 -5.638 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.889 1.341 -4.613 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.633 2.720 -6.523 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.511 2.212 -5.523 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.753 2.909 -6.470 1.00 10.00 C ATOM 485 OH TYR A 30 -1.356 3.705 -7.398 1.00 10.00 O ATOM 0 H TYR A 30 -0.646 -1.857 -3.769 1.00 10.00 H new ATOM 0 HA TYR A 30 1.767 -1.186 -5.377 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.627 0.052 -2.839 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.180 0.453 -3.545 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.318 1.641 -5.713 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.480 0.811 -3.881 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.224 3.264 -7.244 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.582 2.345 -5.491 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.851 3.670 -8.237 1.00 10.00 H new ATOM 495 N ASP A 31 3.100 -2.783 -3.996 1.00 10.00 N ATOM 496 CA ASP A 31 3.999 -3.526 -3.121 1.00 10.00 C ATOM 497 C ASP A 31 4.985 -2.528 -2.537 1.00 10.00 C ATOM 498 O ASP A 31 5.780 -1.948 -3.274 1.00 10.00 O ATOM 499 CB ASP A 31 4.758 -4.632 -3.860 1.00 10.00 C ATOM 500 CG ASP A 31 5.745 -5.294 -2.900 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.312 -6.225 -2.187 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.897 -4.822 -2.824 1.00 10.00 O ATOM 0 H ASP A 31 3.415 -2.712 -4.964 1.00 10.00 H new ATOM 0 HA ASP A 31 3.413 -4.019 -2.346 1.00 10.00 H new ATOM 0 HB2 ASP A 31 4.058 -5.372 -4.248 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.289 -4.215 -4.716 1.00 10.00 H new ATOM 507 N LEU A 32 4.911 -2.296 -1.226 1.00 10.00 N ATOM 508 CA LEU A 32 5.879 -1.481 -0.511 1.00 10.00 C ATOM 509 C LEU A 32 6.517 -2.325 0.584 1.00 10.00 C ATOM 510 O LEU A 32 7.020 -1.802 1.577 1.00 10.00 O ATOM 511 CB LEU A 32 5.197 -0.244 0.075 1.00 10.00 C ATOM 512 CG LEU A 32 4.325 0.487 -0.961 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.865 0.524 -0.494 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.920 1.869 -1.236 1.00 10.00 C ATOM 0 H LEU A 32 4.172 -2.673 -0.632 1.00 10.00 H new ATOM 0 HA LEU A 32 6.655 -1.138 -1.195 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.579 -0.540 0.923 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.955 0.440 0.456 1.00 10.00 H new ATOM 0 HG LEU A 32 4.321 -0.051 -1.909 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.259 1.044 -1.236 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.496 -0.494 -0.373 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.801 1.049 0.459 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.305 2.390 -1.970 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.947 2.444 -0.311 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.933 1.759 -1.624 1.00 10.00 H new ATOM 526 N THR A 33 6.495 -3.648 0.413 1.00 10.00 N ATOM 527 CA THR A 33 6.958 -4.563 1.434 1.00 10.00 C ATOM 528 C THR A 33 8.431 -4.358 1.735 1.00 10.00 C ATOM 529 O THR A 33 8.873 -4.589 2.860 1.00 10.00 O ATOM 530 CB THR A 33 6.674 -6.004 1.018 1.00 10.00 C ATOM 531 OG1 THR A 33 6.638 -6.744 2.215 1.00 10.00 O ATOM 532 CG2 THR A 33 7.701 -6.616 0.060 1.00 10.00 C ATOM 0 H THR A 33 6.156 -4.104 -0.434 1.00 10.00 H new ATOM 0 HA THR A 33 6.410 -4.355 2.353 1.00 10.00 H new ATOM 0 HB THR A 33 5.739 -6.025 0.458 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.213 -7.533 2.129 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.413 -7.640 -0.177 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.738 -6.028 -0.857 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.684 -6.616 0.531 1.00 10.00 H new ATOM 540 N LYS A 34 9.182 -3.951 0.713 1.00 10.00 N ATOM 541 CA LYS A 34 10.593 -3.650 0.826 1.00 10.00 C ATOM 542 C LYS A 34 10.792 -2.136 0.926 1.00 10.00 C ATOM 543 O LYS A 34 11.855 -1.635 0.569 1.00 10.00 O ATOM 544 CB LYS A 34 11.327 -4.309 -0.358 1.00 10.00 C ATOM 545 CG LYS A 34 12.647 -4.969 0.070 1.00 10.00 C ATOM 546 CD LYS A 34 13.866 -4.265 -0.532 1.00 10.00 C ATOM 547 CE LYS A 34 15.123 -4.736 0.214 1.00 10.00 C ATOM 548 NZ LYS A 34 16.365 -4.238 -0.410 1.00 10.00 N ATOM 0 H LYS A 34 8.813 -3.822 -0.229 1.00 10.00 H new ATOM 0 HA LYS A 34 11.024 -4.063 1.738 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.679 -5.058 -0.813 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.530 -3.557 -1.121 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.722 -4.956 1.157 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.645 -6.015 -0.237 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.949 -4.494 -1.594 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.759 -3.184 -0.447 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.077 -4.396 1.249 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.142 -5.826 0.237 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 17.186 -4.582 0.128 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 16.424 -4.583 -1.389 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 16.361 -3.198 -0.409 1.00 10.00 H new ATOM 562 N PHE A 35 9.774 -1.421 1.424 1.00 10.00 N ATOM 563 CA PHE A 35 9.807 0.014 1.652 1.00 10.00 C ATOM 564 C PHE A 35 9.287 0.376 3.043 1.00 10.00 C ATOM 565 O PHE A 35 8.990 1.534 3.299 1.00 10.00 O ATOM 566 CB PHE A 35 8.976 0.728 0.582 1.00 10.00 C ATOM 567 CG PHE A 35 9.470 2.119 0.219 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.807 2.310 -0.184 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.605 3.227 0.305 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.267 3.593 -0.524 1.00 10.00 C ATOM 571 CE2 PHE A 35 9.068 4.512 -0.031 1.00 10.00 C ATOM 572 CZ PHE A 35 10.398 4.694 -0.449 1.00 10.00 C ATOM 0 H PHE A 35 8.884 -1.845 1.684 1.00 10.00 H new ATOM 0 HA PHE A 35 10.845 0.340 1.590 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.964 0.115 -0.319 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.946 0.802 0.931 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.480 1.467 -0.232 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.584 3.090 0.630 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.289 3.733 -0.843 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.401 5.359 0.032 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.751 5.680 -0.712 1.00 10.00 H new ATOM 582 N LEU A 36 9.136 -0.591 3.947 1.00 10.00 N ATOM 583 CA LEU A 36 8.529 -0.335 5.247 1.00 10.00 C ATOM 584 C LEU A 36 9.413 0.572 6.097 1.00 10.00 C ATOM 585 O LEU A 36 9.046 1.709 6.376 1.00 10.00 O ATOM 586 CB LEU A 36 8.240 -1.664 5.951 1.00 10.00 C ATOM 587 CG LEU A 36 7.213 -2.502 5.187 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.229 -3.919 5.757 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.802 -1.916 5.286 1.00 10.00 C ATOM 0 H LEU A 36 9.426 -1.558 3.801 1.00 10.00 H new ATOM 0 HA LEU A 36 7.585 0.190 5.101 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.166 -2.230 6.054 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.872 -1.469 6.958 1.00 10.00 H new ATOM 0 HG LEU A 36 7.483 -2.505 4.131 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.503 -4.533 5.225 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.224 -4.348 5.637 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.972 -3.888 6.816 1.00 10.00 H new ATOM 0 HD21 LEU A 36 5.107 -2.544 4.729 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.497 -1.877 6.332 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.796 -0.909 4.868 1.00 10.00 H new ATOM 601 N GLU A 37 10.593 0.071 6.468 1.00 10.00 N ATOM 602 CA GLU A 37 11.607 0.833 7.185 1.00 10.00 C ATOM 603 C GLU A 37 11.995 2.101 6.407 1.00 10.00 C ATOM 604 O GLU A 37 12.376 3.105 7.002 1.00 10.00 O ATOM 605 CB GLU A 37 12.813 -0.083 7.452 1.00 10.00 C ATOM 606 CG GLU A 37 12.645 -0.840 8.776 1.00 10.00 C ATOM 607 CD GLU A 37 13.643 -1.984 8.898 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.765 -1.718 9.379 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.273 -3.102 8.474 1.00 10.00 O ATOM 0 H GLU A 37 10.871 -0.891 6.274 1.00 10.00 H new ATOM 0 HA GLU A 37 11.212 1.174 8.142 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.922 -0.794 6.633 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.726 0.511 7.482 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.778 -0.150 9.610 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.630 -1.232 8.845 1.00 10.00 H new ATOM 616 N GLU A 38 11.898 2.052 5.076 1.00 10.00 N ATOM 617 CA GLU A 38 12.207 3.173 4.201 1.00 10.00 C ATOM 618 C GLU A 38 11.117 4.257 4.260 1.00 10.00 C ATOM 619 O GLU A 38 11.421 5.446 4.172 1.00 10.00 O ATOM 620 CB GLU A 38 12.362 2.650 2.769 1.00 10.00 C ATOM 621 CG GLU A 38 13.452 1.572 2.614 1.00 10.00 C ATOM 622 CD GLU A 38 14.706 2.122 1.944 1.00 10.00 C ATOM 623 OE1 GLU A 38 15.296 3.057 2.524 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.044 1.599 0.860 1.00 10.00 O ATOM 0 H GLU A 38 11.597 1.217 4.574 1.00 10.00 H new ATOM 0 HA GLU A 38 13.136 3.634 4.535 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.408 2.239 2.437 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.595 3.486 2.110 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.710 1.173 3.595 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.061 0.742 2.026 1.00 10.00 H new ATOM 631 N HIS A 39 9.840 3.865 4.345 1.00 10.00 N ATOM 632 CA HIS A 39 8.716 4.792 4.260 1.00 10.00 C ATOM 633 C HIS A 39 8.799 5.809 5.405 1.00 10.00 C ATOM 634 O HIS A 39 8.875 5.415 6.567 1.00 10.00 O ATOM 635 CB HIS A 39 7.383 4.031 4.284 1.00 10.00 C ATOM 636 CG HIS A 39 6.158 4.910 4.386 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.443 5.109 5.539 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.490 5.548 3.369 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.363 5.843 5.220 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.350 6.162 3.912 1.00 10.00 N ATOM 0 H HIS A 39 9.561 2.892 4.475 1.00 10.00 H new ATOM 0 HA HIS A 39 8.767 5.331 3.314 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.307 3.429 3.379 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.389 3.340 5.127 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.790 5.573 2.332 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.601 6.140 5.925 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.659 6.729 3.420 1.00 10.00 H new ATOM 648 N PRO A 40 8.753 7.116 5.107 1.00 10.00 N ATOM 649 CA PRO A 40 9.018 8.155 6.091 1.00 10.00 C ATOM 650 C PRO A 40 7.911 8.275 7.143 1.00 10.00 C ATOM 651 O PRO A 40 8.169 8.793 8.224 1.00 10.00 O ATOM 652 CB PRO A 40 9.180 9.446 5.283 1.00 10.00 C ATOM 653 CG PRO A 40 8.331 9.187 4.043 1.00 10.00 C ATOM 654 CD PRO A 40 8.526 7.695 3.794 1.00 10.00 C ATOM 0 HA PRO A 40 9.912 7.923 6.670 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.828 10.316 5.838 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.223 9.632 5.026 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.283 9.433 4.214 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.665 9.784 3.194 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.649 7.257 3.317 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.373 7.514 3.132 1.00 10.00 H new ATOM 662 N GLY A 41 6.683 7.844 6.829 1.00 10.00 N ATOM 663 CA GLY A 41 5.564 7.915 7.759 1.00 10.00 C ATOM 664 C GLY A 41 5.701 6.906 8.895 1.00 10.00 C ATOM 665 O GLY A 41 6.349 7.171 9.902 1.00 10.00 O ATOM 0 H GLY A 41 6.444 7.438 5.924 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.500 8.921 8.173 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.634 7.732 7.222 1.00 10.00 H new ATOM 669 N GLY A 42 5.061 5.742 8.751 1.00 10.00 N ATOM 670 CA GLY A 42 5.161 4.678 9.730 1.00 10.00 C ATOM 671 C GLY A 42 4.986 3.328 9.047 1.00 10.00 C ATOM 672 O GLY A 42 4.040 3.128 8.283 1.00 10.00 O ATOM 0 H GLY A 42 4.464 5.520 7.954 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.129 4.720 10.229 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.400 4.807 10.500 1.00 10.00 H new ATOM 676 N GLU A 43 5.894 2.398 9.332 1.00 10.00 N ATOM 677 CA GLU A 43 5.786 1.019 8.900 1.00 10.00 C ATOM 678 C GLU A 43 4.552 0.367 9.522 1.00 10.00 C ATOM 679 O GLU A 43 3.850 -0.386 8.855 1.00 10.00 O ATOM 680 CB GLU A 43 7.075 0.290 9.293 1.00 10.00 C ATOM 681 CG GLU A 43 7.300 0.240 10.813 1.00 10.00 C ATOM 682 CD GLU A 43 8.766 0.020 11.142 1.00 10.00 C ATOM 683 OE1 GLU A 43 9.540 0.952 10.843 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.068 -1.062 11.687 1.00 10.00 O ATOM 0 H GLU A 43 6.734 2.590 9.877 1.00 10.00 H new ATOM 0 HA GLU A 43 5.664 0.964 7.818 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.043 -0.727 8.903 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.924 0.786 8.822 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.958 1.171 11.265 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.703 -0.562 11.246 1.00 10.00 H new ATOM 691 N ALA A 44 4.278 0.668 10.797 1.00 10.00 N ATOM 692 CA ALA A 44 3.173 0.073 11.532 1.00 10.00 C ATOM 693 C ALA A 44 1.863 0.389 10.821 1.00 10.00 C ATOM 694 O ALA A 44 1.123 -0.519 10.459 1.00 10.00 O ATOM 695 CB ALA A 44 3.154 0.559 12.985 1.00 10.00 C ATOM 0 H ALA A 44 4.823 1.335 11.344 1.00 10.00 H new ATOM 0 HA ALA A 44 3.303 -1.009 11.559 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.318 0.099 13.512 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.088 0.281 13.474 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.043 1.643 13.005 1.00 10.00 H new ATOM 701 N VAL A 45 1.599 1.677 10.580 1.00 10.00 N ATOM 702 CA VAL A 45 0.440 2.091 9.807 1.00 10.00 C ATOM 703 C VAL A 45 0.478 1.449 8.416 1.00 10.00 C ATOM 704 O VAL A 45 -0.540 0.900 7.994 1.00 10.00 O ATOM 705 CB VAL A 45 0.249 3.620 9.839 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.418 4.403 9.241 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.046 4.046 9.142 1.00 10.00 C ATOM 0 H VAL A 45 2.178 2.447 10.913 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.472 1.715 10.271 1.00 10.00 H new ATOM 0 HB VAL A 45 0.197 3.867 10.899 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.209 5.471 9.300 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.328 4.180 9.798 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.552 4.117 8.198 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.143 5.131 9.186 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.021 3.726 8.100 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.897 3.585 9.642 1.00 10.00 H new ATOM 717 N LEU A 46 1.630 1.416 7.720 1.00 10.00 N ATOM 718 CA LEU A 46 1.654 0.679 6.457 1.00 10.00 C ATOM 719 C LEU A 46 1.214 -0.788 6.615 1.00 10.00 C ATOM 720 O LEU A 46 0.506 -1.314 5.760 1.00 10.00 O ATOM 721 CB LEU A 46 3.037 0.796 5.793 1.00 10.00 C ATOM 722 CG LEU A 46 2.953 1.392 4.377 1.00 10.00 C ATOM 723 CD1 LEU A 46 3.963 2.523 4.217 1.00 10.00 C ATOM 724 CD2 LEU A 46 3.189 0.320 3.317 1.00 10.00 C ATOM 0 H LEU A 46 2.504 1.864 7.994 1.00 10.00 H new ATOM 0 HA LEU A 46 0.918 1.139 5.798 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.683 1.420 6.410 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.499 -0.190 5.744 1.00 10.00 H new ATOM 0 HG LEU A 46 1.949 1.793 4.238 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.892 2.935 3.210 1.00 10.00 H new ATOM 0 HD12 LEU A 46 3.751 3.306 4.945 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.969 2.138 4.381 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.124 0.768 2.326 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.179 -0.116 3.454 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.433 -0.459 3.413 1.00 10.00 H new ATOM 736 N ARG A 47 1.618 -1.448 7.703 1.00 10.00 N ATOM 737 CA ARG A 47 1.341 -2.854 7.964 1.00 10.00 C ATOM 738 C ARG A 47 -0.124 -3.067 8.359 1.00 10.00 C ATOM 739 O ARG A 47 -0.741 -4.053 7.968 1.00 10.00 O ATOM 740 CB ARG A 47 2.286 -3.369 9.058 1.00 10.00 C ATOM 741 CG ARG A 47 2.292 -4.905 9.136 1.00 10.00 C ATOM 742 CD ARG A 47 3.287 -5.543 8.153 1.00 10.00 C ATOM 743 NE ARG A 47 4.346 -6.260 8.883 1.00 10.00 N ATOM 744 CZ ARG A 47 5.540 -6.596 8.378 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.805 -6.351 7.093 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.456 -7.174 9.166 1.00 10.00 N ATOM 0 H ARG A 47 2.161 -1.004 8.443 1.00 10.00 H new ATOM 0 HA ARG A 47 1.515 -3.421 7.049 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.297 -3.012 8.862 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.984 -2.958 10.021 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.542 -5.213 10.151 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.290 -5.280 8.927 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.762 -6.233 7.492 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.730 -4.772 7.523 1.00 10.00 H new ATOM 0 HE ARG A 47 4.155 -6.522 9.850 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.100 -5.910 6.502 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.712 -6.604 6.702 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.243 -7.357 10.147 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.367 -7.432 8.785 1.00 10.00 H new ATOM 760 N ALA A 48 -0.673 -2.156 9.158 1.00 10.00 N ATOM 761 CA ALA A 48 -2.040 -2.228 9.649 1.00 10.00 C ATOM 762 C ALA A 48 -3.022 -2.036 8.499 1.00 10.00 C ATOM 763 O ALA A 48 -3.962 -2.811 8.346 1.00 10.00 O ATOM 764 CB ALA A 48 -2.240 -1.174 10.740 1.00 10.00 C ATOM 0 H ALA A 48 -0.168 -1.333 9.487 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.228 -3.211 10.080 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.264 -1.224 11.111 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.547 -1.363 11.560 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.052 -0.183 10.327 1.00 10.00 H new ATOM 770 N GLN A 49 -2.805 -1.002 7.687 1.00 10.00 N ATOM 771 CA GLN A 49 -3.641 -0.723 6.538 1.00 10.00 C ATOM 772 C GLN A 49 -3.360 -1.720 5.405 1.00 10.00 C ATOM 773 O GLN A 49 -4.138 -1.801 4.455 1.00 10.00 O ATOM 774 CB GLN A 49 -3.407 0.737 6.129 1.00 10.00 C ATOM 775 CG GLN A 49 -4.356 1.713 6.844 1.00 10.00 C ATOM 776 CD GLN A 49 -4.232 1.792 8.368 1.00 10.00 C ATOM 777 OE1 GLN A 49 -3.245 1.376 8.963 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.234 2.360 9.032 1.00 10.00 N ATOM 0 H GLN A 49 -2.041 -0.338 7.814 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.696 -0.850 6.782 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.376 1.011 6.351 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.538 0.834 5.051 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.191 2.710 6.436 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.381 1.434 6.599 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.051 2.703 8.527 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.186 2.453 10.047 1.00 10.00 H new ATOM 787 N ALA A 50 -2.258 -2.472 5.488 1.00 10.00 N ATOM 788 CA ALA A 50 -1.943 -3.488 4.499 1.00 10.00 C ATOM 789 C ALA A 50 -3.000 -4.579 4.379 1.00 10.00 C ATOM 790 O ALA A 50 -3.726 -4.881 5.323 1.00 10.00 O ATOM 791 CB ALA A 50 -0.565 -4.107 4.704 1.00 10.00 C ATOM 0 H ALA A 50 -1.571 -2.390 6.237 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.934 -2.946 3.554 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.386 -4.859 3.935 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.197 -3.330 4.636 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.519 -4.575 5.687 1.00 10.00 H new ATOM 797 N GLY A 51 -3.039 -5.190 3.194 1.00 10.00 N ATOM 798 CA GLY A 51 -4.024 -6.165 2.787 1.00 10.00 C ATOM 799 C GLY A 51 -5.407 -5.653 3.142 1.00 10.00 C ATOM 800 O GLY A 51 -6.095 -6.252 3.964 1.00 10.00 O ATOM 0 H GLY A 51 -2.349 -5.003 2.467 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.954 -6.345 1.714 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.837 -7.118 3.283 1.00 10.00 H new ATOM 804 N GLY A 52 -5.795 -4.530 2.537 1.00 10.00 N ATOM 805 CA GLY A 52 -7.097 -3.949 2.774 1.00 10.00 C ATOM 806 C GLY A 52 -7.236 -2.650 1.994 1.00 10.00 C ATOM 807 O GLY A 52 -6.282 -2.182 1.360 1.00 10.00 O ATOM 0 H GLY A 52 -5.216 -4.010 1.878 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.877 -4.649 2.473 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.232 -3.760 3.839 1.00 10.00 H new ATOM 811 N ASP A 53 -8.439 -2.079 2.061 1.00 10.00 N ATOM 812 CA ASP A 53 -8.734 -0.751 1.559 1.00 10.00 C ATOM 813 C ASP A 53 -8.002 0.264 2.420 1.00 10.00 C ATOM 814 O ASP A 53 -8.442 0.600 3.520 1.00 10.00 O ATOM 815 CB ASP A 53 -10.244 -0.481 1.585 1.00 10.00 C ATOM 816 CG ASP A 53 -10.862 -0.780 0.233 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.942 -1.982 -0.090 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.201 0.207 -0.455 1.00 10.00 O ATOM 0 H ASP A 53 -9.247 -2.542 2.476 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.401 -0.671 0.524 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.716 -1.096 2.351 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.429 0.559 1.853 1.00 10.00 H new ATOM 823 N ALA A 54 -6.894 0.783 1.899 1.00 10.00 N ATOM 824 CA ALA A 54 -6.165 1.854 2.547 1.00 10.00 C ATOM 825 C ALA A 54 -6.327 3.149 1.768 1.00 10.00 C ATOM 826 O ALA A 54 -5.634 4.113 2.065 1.00 10.00 O ATOM 827 CB ALA A 54 -4.700 1.463 2.673 1.00 10.00 C ATOM 0 H ALA A 54 -6.483 0.471 1.020 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.567 2.018 3.547 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.149 2.268 3.160 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.616 0.554 3.268 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.284 1.287 1.681 1.00 10.00 H new ATOM 833 N THR A 55 -7.222 3.191 0.779 1.00 10.00 N ATOM 834 CA THR A 55 -7.388 4.361 -0.066 1.00 10.00 C ATOM 835 C THR A 55 -7.778 5.560 0.806 1.00 10.00 C ATOM 836 O THR A 55 -7.078 6.570 0.840 1.00 10.00 O ATOM 837 CB THR A 55 -8.396 4.033 -1.179 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.004 2.876 -1.900 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.453 5.173 -2.193 1.00 10.00 C ATOM 0 H THR A 55 -7.845 2.417 0.547 1.00 10.00 H new ATOM 0 HA THR A 55 -6.459 4.637 -0.564 1.00 10.00 H new ATOM 0 HB THR A 55 -9.361 3.877 -0.696 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.378 2.350 -1.360 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.171 4.928 -2.976 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.762 6.090 -1.692 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.467 5.316 -2.636 1.00 10.00 H new ATOM 847 N ALA A 56 -8.858 5.414 1.578 1.00 10.00 N ATOM 848 CA ALA A 56 -9.324 6.453 2.484 1.00 10.00 C ATOM 849 C ALA A 56 -8.228 6.844 3.477 1.00 10.00 C ATOM 850 O ALA A 56 -7.967 8.023 3.672 1.00 10.00 O ATOM 851 CB ALA A 56 -10.589 5.983 3.206 1.00 10.00 C ATOM 0 H ALA A 56 -9.430 4.570 1.588 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.568 7.343 1.905 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.933 6.765 3.883 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.367 5.768 2.474 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.368 5.081 3.776 1.00 10.00 H new ATOM 857 N ASN A 57 -7.583 5.858 4.106 1.00 10.00 N ATOM 858 CA ASN A 57 -6.547 6.080 5.110 1.00 10.00 C ATOM 859 C ASN A 57 -5.386 6.889 4.514 1.00 10.00 C ATOM 860 O ASN A 57 -4.965 7.907 5.064 1.00 10.00 O ATOM 861 CB ASN A 57 -6.042 4.732 5.648 1.00 10.00 C ATOM 862 CG ASN A 57 -7.070 3.971 6.484 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.064 4.062 7.707 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.926 3.159 5.867 1.00 10.00 N ATOM 0 H ASN A 57 -7.770 4.871 3.928 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.973 6.651 5.935 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.739 4.108 4.807 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.153 4.905 6.254 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -8.586 2.604 6.412 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.922 3.092 4.849 1.00 10.00 H new ATOM 871 N PHE A 58 -4.872 6.421 3.375 1.00 10.00 N ATOM 872 CA PHE A 58 -3.815 7.063 2.606 1.00 10.00 C ATOM 873 C PHE A 58 -4.164 8.527 2.343 1.00 10.00 C ATOM 874 O PHE A 58 -3.379 9.424 2.654 1.00 10.00 O ATOM 875 CB PHE A 58 -3.628 6.298 1.289 1.00 10.00 C ATOM 876 CG PHE A 58 -2.621 6.900 0.329 1.00 10.00 C ATOM 877 CD1 PHE A 58 -3.010 7.911 -0.571 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.310 6.402 0.286 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.087 8.434 -1.490 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.386 6.922 -0.637 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.775 7.932 -1.532 1.00 10.00 C ATOM 0 H PHE A 58 -5.196 5.552 2.951 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.882 7.042 3.169 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.320 5.278 1.521 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.592 6.233 0.785 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.023 8.285 -0.554 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.010 5.617 0.964 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.385 9.223 -2.165 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.625 6.544 -0.658 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.068 8.322 -2.250 1.00 10.00 H new ATOM 891 N GLU A 59 -5.343 8.755 1.761 1.00 10.00 N ATOM 892 CA GLU A 59 -5.816 10.086 1.419 1.00 10.00 C ATOM 893 C GLU A 59 -5.984 10.943 2.678 1.00 10.00 C ATOM 894 O GLU A 59 -5.659 12.127 2.667 1.00 10.00 O ATOM 895 CB GLU A 59 -7.153 9.952 0.684 1.00 10.00 C ATOM 896 CG GLU A 59 -6.996 9.328 -0.708 1.00 10.00 C ATOM 897 CD GLU A 59 -6.512 10.355 -1.723 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.395 11.036 -2.288 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.279 10.442 -1.909 1.00 10.00 O ATOM 0 H GLU A 59 -5.997 8.012 1.514 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.086 10.579 0.778 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.832 9.340 1.279 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.612 10.936 0.588 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.289 8.500 -0.660 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.950 8.914 -1.033 1.00 10.00 H new ATOM 906 N ALA A 60 -6.505 10.351 3.760 1.00 10.00 N ATOM 907 CA ALA A 60 -6.743 11.033 5.025 1.00 10.00 C ATOM 908 C ALA A 60 -5.451 11.666 5.531 1.00 10.00 C ATOM 909 O ALA A 60 -5.442 12.825 5.939 1.00 10.00 O ATOM 910 CB ALA A 60 -7.314 10.059 6.064 1.00 10.00 C ATOM 0 H ALA A 60 -6.775 9.368 3.775 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.476 11.823 4.864 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.485 10.587 7.002 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.257 9.651 5.700 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.606 9.247 6.229 1.00 10.00 H new ATOM 916 N VAL A 61 -4.361 10.896 5.504 1.00 10.00 N ATOM 917 CA VAL A 61 -3.039 11.416 5.821 1.00 10.00 C ATOM 918 C VAL A 61 -2.620 12.440 4.760 1.00 10.00 C ATOM 919 O VAL A 61 -2.228 13.556 5.095 1.00 10.00 O ATOM 920 CB VAL A 61 -2.046 10.249 5.946 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.606 10.752 6.118 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.422 9.361 7.142 1.00 10.00 C ATOM 0 H VAL A 61 -4.374 9.905 5.264 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.052 11.935 6.780 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.100 9.670 5.024 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.069 9.900 6.203 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.325 11.353 5.253 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.538 11.360 7.020 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.712 8.538 7.221 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.395 9.953 8.057 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.426 8.962 6.997 1.00 10.00 H new ATOM 932 N GLY A 62 -2.698 12.058 3.484 1.00 10.00 N ATOM 933 CA GLY A 62 -2.265 12.896 2.376 1.00 10.00 C ATOM 934 C GLY A 62 -0.801 12.621 2.037 1.00 10.00 C ATOM 935 O GLY A 62 -0.073 12.031 2.833 1.00 10.00 O ATOM 0 H GLY A 62 -3.066 11.152 3.194 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.889 12.705 1.503 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.393 13.947 2.636 1.00 10.00 H new ATOM 939 N HIS A 63 -0.392 13.008 0.825 1.00 10.00 N ATOM 940 CA HIS A 63 0.853 12.588 0.199 1.00 10.00 C ATOM 941 C HIS A 63 1.178 13.576 -0.936 1.00 10.00 C ATOM 942 O HIS A 63 0.273 13.962 -1.675 1.00 10.00 O ATOM 943 CB HIS A 63 0.646 11.154 -0.329 1.00 10.00 C ATOM 944 CG HIS A 63 0.770 10.069 0.720 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.249 9.371 1.332 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.945 9.556 1.192 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.316 8.453 2.142 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.660 8.507 2.080 1.00 10.00 N ATOM 0 H HIS A 63 -0.938 13.641 0.240 1.00 10.00 H new ATOM 0 HA HIS A 63 1.690 12.588 0.897 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.342 11.088 -0.785 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.374 10.963 -1.117 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.249 9.522 1.197 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.933 9.902 0.925 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.238 7.763 2.761 1.00 10.00 H new ATOM 956 N SER A 64 2.438 14.013 -1.064 1.00 10.00 N ATOM 957 CA SER A 64 2.878 14.992 -2.063 1.00 10.00 C ATOM 958 C SER A 64 2.952 14.417 -3.489 1.00 10.00 C ATOM 959 O SER A 64 2.746 13.226 -3.727 1.00 10.00 O ATOM 960 CB SER A 64 4.228 15.608 -1.635 1.00 10.00 C ATOM 961 OG SER A 64 4.013 16.832 -0.960 1.00 10.00 O ATOM 0 H SER A 64 3.195 13.688 -0.462 1.00 10.00 H new ATOM 0 HA SER A 64 2.120 15.774 -2.102 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.763 14.915 -0.986 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.855 15.772 -2.511 1.00 10.00 H new ATOM 0 HG SER A 64 4.875 17.213 -0.691 1.00 10.00 H new ATOM 967 N THR A 65 3.290 15.278 -4.457 1.00 10.00 N ATOM 968 CA THR A 65 3.482 14.912 -5.852 1.00 10.00 C ATOM 969 C THR A 65 4.511 13.794 -5.990 1.00 10.00 C ATOM 970 O THR A 65 4.249 12.779 -6.635 1.00 10.00 O ATOM 971 CB THR A 65 3.873 16.166 -6.643 1.00 10.00 C ATOM 972 OG1 THR A 65 4.850 16.888 -5.918 1.00 10.00 O ATOM 973 CG2 THR A 65 2.656 17.078 -6.838 1.00 10.00 C ATOM 0 H THR A 65 3.439 16.271 -4.280 1.00 10.00 H new ATOM 0 HA THR A 65 2.552 14.519 -6.263 1.00 10.00 H new ATOM 0 HB THR A 65 4.259 15.856 -7.614 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.104 17.690 -6.421 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.951 17.963 -7.401 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.883 16.540 -7.386 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.268 17.380 -5.865 1.00 10.00 H new ATOM 981 N ASP A 66 5.663 13.962 -5.342 1.00 10.00 N ATOM 982 CA ASP A 66 6.696 12.943 -5.323 1.00 10.00 C ATOM 983 C ASP A 66 6.126 11.631 -4.786 1.00 10.00 C ATOM 984 O ASP A 66 6.434 10.568 -5.307 1.00 10.00 O ATOM 985 CB ASP A 66 7.894 13.432 -4.488 1.00 10.00 C ATOM 986 CG ASP A 66 9.151 13.698 -5.313 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.008 14.009 -6.514 1.00 10.00 O ATOM 988 OD2 ASP A 66 10.238 13.613 -4.706 1.00 10.00 O ATOM 0 H ASP A 66 5.900 14.806 -4.820 1.00 10.00 H new ATOM 0 HA ASP A 66 7.050 12.757 -6.337 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.612 14.347 -3.966 1.00 10.00 H new ATOM 0 HB3 ASP A 66 8.122 12.687 -3.725 1.00 10.00 H new ATOM 993 N ALA A 67 5.262 11.685 -3.771 1.00 10.00 N ATOM 994 CA ALA A 67 4.678 10.491 -3.178 1.00 10.00 C ATOM 995 C ALA A 67 3.717 9.781 -4.142 1.00 10.00 C ATOM 996 O ALA A 67 3.835 8.568 -4.330 1.00 10.00 O ATOM 997 CB ALA A 67 4.011 10.849 -1.852 1.00 10.00 C ATOM 0 H ALA A 67 4.951 12.556 -3.341 1.00 10.00 H new ATOM 0 HA ALA A 67 5.476 9.776 -2.977 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.575 9.953 -1.411 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.754 11.264 -1.171 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.227 11.586 -2.026 1.00 10.00 H new ATOM 1003 N ARG A 68 2.776 10.504 -4.767 1.00 10.00 N ATOM 1004 CA ARG A 68 1.838 9.886 -5.709 1.00 10.00 C ATOM 1005 C ARG A 68 2.553 9.350 -6.956 1.00 10.00 C ATOM 1006 O ARG A 68 2.022 8.493 -7.662 1.00 10.00 O ATOM 1007 CB ARG A 68 0.728 10.868 -6.108 1.00 10.00 C ATOM 1008 CG ARG A 68 1.294 12.071 -6.860 1.00 10.00 C ATOM 1009 CD ARG A 68 0.242 13.072 -7.340 1.00 10.00 C ATOM 1010 NE ARG A 68 -0.502 12.597 -8.519 1.00 10.00 N ATOM 1011 CZ ARG A 68 -0.028 12.550 -9.778 1.00 10.00 C ATOM 1012 NH1 ARG A 68 1.245 12.871 -10.038 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -0.835 12.182 -10.780 1.00 10.00 N ATOM 0 H ARG A 68 2.647 11.507 -4.638 1.00 10.00 H new ATOM 0 HA ARG A 68 1.382 9.038 -5.197 1.00 10.00 H new ATOM 0 HB2 ARG A 68 -0.004 10.357 -6.733 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.203 11.209 -5.216 1.00 10.00 H new ATOM 0 HG2 ARG A 68 2.001 12.589 -6.212 1.00 10.00 H new ATOM 0 HG3 ARG A 68 1.856 11.713 -7.722 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.459 13.272 -6.530 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.729 14.017 -7.580 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.458 12.276 -8.369 1.00 10.00 H new ATOM 0 HH11 ARG A 68 1.865 13.154 -9.279 1.00 10.00 H new ATOM 0 HH12 ARG A 68 1.595 12.832 -10.995 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -1.807 11.938 -10.589 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -0.478 12.146 -11.735 1.00 10.00 H new ATOM 1027 N GLU A 69 3.725 9.906 -7.264 1.00 10.00 N ATOM 1028 CA GLU A 69 4.550 9.457 -8.375 1.00 10.00 C ATOM 1029 C GLU A 69 5.389 8.256 -7.941 1.00 10.00 C ATOM 1030 O GLU A 69 5.524 7.278 -8.670 1.00 10.00 O ATOM 1031 CB GLU A 69 5.400 10.626 -8.864 1.00 10.00 C ATOM 1032 CG GLU A 69 4.578 11.559 -9.768 1.00 10.00 C ATOM 1033 CD GLU A 69 4.651 11.158 -11.236 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.120 10.072 -11.556 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.186 11.971 -12.017 1.00 10.00 O ATOM 0 H GLU A 69 4.127 10.685 -6.743 1.00 10.00 H new ATOM 0 HA GLU A 69 3.932 9.126 -9.209 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.783 11.185 -8.010 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.263 10.249 -9.412 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.538 11.551 -9.443 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.939 12.581 -9.655 1.00 10.00 H new ATOM 1042 N LEU A 70 5.930 8.297 -6.726 1.00 10.00 N ATOM 1043 CA LEU A 70 6.687 7.195 -6.169 1.00 10.00 C ATOM 1044 C LEU A 70 5.796 5.957 -6.159 1.00 10.00 C ATOM 1045 O LEU A 70 6.157 4.928 -6.719 1.00 10.00 O ATOM 1046 CB LEU A 70 7.215 7.594 -4.783 1.00 10.00 C ATOM 1047 CG LEU A 70 8.100 6.597 -4.014 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.546 5.413 -4.854 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.320 7.279 -3.394 1.00 10.00 C ATOM 0 H LEU A 70 5.852 9.101 -6.103 1.00 10.00 H new ATOM 0 HA LEU A 70 7.563 6.955 -6.771 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.782 8.518 -4.899 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.354 7.824 -4.155 1.00 10.00 H new ATOM 0 HG LEU A 70 7.464 6.210 -3.217 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.166 4.751 -4.250 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.671 4.868 -5.208 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.122 5.769 -5.708 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.918 6.540 -2.860 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.922 7.733 -4.181 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.991 8.051 -2.698 1.00 10.00 H new ATOM 1061 N SER A 71 4.610 6.059 -5.563 1.00 10.00 N ATOM 1062 CA SER A 71 3.631 4.979 -5.564 1.00 10.00 C ATOM 1063 C SER A 71 3.541 4.297 -6.934 1.00 10.00 C ATOM 1064 O SER A 71 3.656 3.080 -7.010 1.00 10.00 O ATOM 1065 CB SER A 71 2.275 5.486 -5.078 1.00 10.00 C ATOM 1066 OG SER A 71 1.646 6.310 -6.029 1.00 10.00 O ATOM 0 H SER A 71 4.302 6.895 -5.066 1.00 10.00 H new ATOM 0 HA SER A 71 3.966 4.214 -4.864 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.631 4.636 -4.852 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.408 6.041 -4.149 1.00 10.00 H new ATOM 0 HG SER A 71 2.311 6.899 -6.442 1.00 10.00 H new ATOM 1072 N LYS A 72 3.387 5.053 -8.025 1.00 10.00 N ATOM 1073 CA LYS A 72 3.380 4.495 -9.376 1.00 10.00 C ATOM 1074 C LYS A 72 4.582 3.565 -9.638 1.00 10.00 C ATOM 1075 O LYS A 72 4.418 2.478 -10.183 1.00 10.00 O ATOM 1076 CB LYS A 72 3.293 5.612 -10.420 1.00 10.00 C ATOM 1077 CG LYS A 72 1.942 6.349 -10.400 1.00 10.00 C ATOM 1078 CD LYS A 72 1.155 5.962 -11.661 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.127 6.776 -11.881 1.00 10.00 C ATOM 1080 NZ LYS A 72 -1.272 6.278 -11.092 1.00 10.00 N ATOM 0 H LYS A 72 3.264 6.065 -7.995 1.00 10.00 H new ATOM 0 HA LYS A 72 2.489 3.873 -9.465 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.095 6.329 -10.244 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.455 5.189 -11.411 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.379 6.083 -9.506 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.099 7.427 -10.368 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.802 6.083 -12.530 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.895 4.905 -11.602 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.061 7.817 -11.619 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.386 6.755 -12.939 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -2.107 6.867 -11.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -1.475 5.293 -11.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -1.041 6.322 -10.079 1.00 10.00 H new ATOM 1094 N THR A 73 5.781 3.945 -9.200 1.00 10.00 N ATOM 1095 CA THR A 73 6.997 3.138 -9.305 1.00 10.00 C ATOM 1096 C THR A 73 6.929 1.848 -8.464 1.00 10.00 C ATOM 1097 O THR A 73 7.703 0.925 -8.705 1.00 10.00 O ATOM 1098 CB THR A 73 8.221 4.029 -8.990 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.475 4.849 -10.114 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.504 3.277 -8.626 1.00 10.00 C ATOM 0 H THR A 73 5.939 4.847 -8.750 1.00 10.00 H new ATOM 0 HA THR A 73 7.101 2.776 -10.328 1.00 10.00 H new ATOM 0 HB THR A 73 7.956 4.600 -8.100 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.248 5.423 -9.932 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.301 3.993 -8.424 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.330 2.668 -7.739 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.797 2.634 -9.456 1.00 10.00 H new ATOM 1108 N PHE A 74 5.994 1.751 -7.513 1.00 10.00 N ATOM 1109 CA PHE A 74 5.735 0.559 -6.711 1.00 10.00 C ATOM 1110 C PHE A 74 4.432 -0.110 -7.139 1.00 10.00 C ATOM 1111 O PHE A 74 3.996 -1.067 -6.493 1.00 10.00 O ATOM 1112 CB PHE A 74 5.644 0.933 -5.223 1.00 10.00 C ATOM 1113 CG PHE A 74 6.972 1.188 -4.549 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.933 0.161 -4.510 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.186 2.373 -3.824 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.142 0.352 -3.825 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.382 2.549 -3.108 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.370 1.552 -3.135 1.00 10.00 C ATOM 0 H PHE A 74 5.378 2.528 -7.275 1.00 10.00 H new ATOM 0 HA PHE A 74 6.559 -0.137 -6.866 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.026 1.825 -5.125 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.132 0.130 -4.692 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.739 -0.777 -5.009 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.433 3.147 -3.817 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.895 -0.422 -3.829 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.541 3.452 -2.537 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.308 1.709 -2.623 1.00 10.00 H new ATOM 1128 N ILE A 75 3.780 0.393 -8.192 1.00 10.00 N ATOM 1129 CA ILE A 75 2.541 -0.206 -8.650 1.00 10.00 C ATOM 1130 C ILE A 75 2.863 -1.599 -9.194 1.00 10.00 C ATOM 1131 O ILE A 75 3.771 -1.748 -10.010 1.00 10.00 O ATOM 1132 CB ILE A 75 1.839 0.731 -9.654 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.336 0.832 -9.390 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.127 0.412 -11.129 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.427 -0.412 -9.787 1.00 10.00 C ATOM 0 H ILE A 75 4.091 1.202 -8.731 1.00 10.00 H new ATOM 0 HA ILE A 75 1.825 -0.335 -7.838 1.00 10.00 H new ATOM 0 HB ILE A 75 2.284 1.710 -9.476 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.173 1.027 -8.330 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.065 1.686 -9.937 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.594 1.119 -11.765 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.198 0.491 -11.316 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.794 -0.601 -11.354 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.487 -0.273 -9.573 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.293 -0.596 -10.853 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.052 -1.265 -9.222 1.00 10.00 H new ATOM 1147 N ILE A 76 2.143 -2.620 -8.728 1.00 10.00 N ATOM 1148 CA ILE A 76 2.349 -3.996 -9.170 1.00 10.00 C ATOM 1149 C ILE A 76 1.206 -4.469 -10.070 1.00 10.00 C ATOM 1150 O ILE A 76 1.420 -5.279 -10.969 1.00 10.00 O ATOM 1151 CB ILE A 76 2.561 -4.917 -7.961 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.490 -4.673 -6.889 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.962 -4.695 -7.372 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.412 -5.830 -5.903 1.00 10.00 C ATOM 0 H ILE A 76 1.402 -2.515 -8.035 1.00 10.00 H new ATOM 0 HA ILE A 76 3.254 -4.036 -9.776 1.00 10.00 H new ATOM 0 HB ILE A 76 2.474 -5.950 -8.297 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.715 -3.751 -6.352 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.520 -4.535 -7.367 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.104 -5.352 -6.514 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.714 -4.918 -8.129 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.063 -3.657 -7.054 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.643 -5.622 -5.159 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.162 -6.747 -6.437 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.375 -5.950 -5.406 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.010 -3.969 -9.849 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.171 -4.326 -10.634 1.00 10.00 C ATOM 1168 C GLY A 77 -2.349 -3.530 -10.113 1.00 10.00 C ATOM 1169 O GLY A 77 -2.184 -2.666 -9.258 1.00 10.00 O ATOM 0 H GLY A 77 -0.209 -3.297 -9.108 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.000 -4.108 -11.688 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.369 -5.395 -10.557 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.534 -3.830 -10.623 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.770 -3.156 -10.292 1.00 10.00 C ATOM 1175 C GLU A 78 -5.729 -4.136 -9.622 1.00 10.00 C ATOM 1176 O GLU A 78 -5.503 -5.346 -9.566 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.343 -2.475 -11.552 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.279 -0.942 -11.483 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.881 -0.283 -12.791 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -3.658 -0.110 -12.994 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.779 0.181 -13.517 1.00 10.00 O ATOM 0 H GLU A 78 -3.661 -4.579 -11.304 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.597 -2.360 -9.568 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.791 -2.818 -12.427 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.379 -2.785 -11.687 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.253 -0.561 -11.177 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.567 -0.652 -10.710 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.792 -3.571 -9.071 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.797 -4.293 -8.321 1.00 10.00 C ATOM 1190 C LEU A 79 -8.653 -5.095 -9.298 1.00 10.00 C ATOM 1191 O LEU A 79 -9.123 -4.563 -10.308 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.636 -3.277 -7.541 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.856 -3.901 -6.846 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.457 -4.506 -5.496 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.975 -2.866 -6.699 1.00 10.00 C ATOM 0 H LEU A 79 -6.981 -2.571 -9.137 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.345 -4.988 -7.613 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.007 -2.796 -6.792 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.975 -2.497 -8.222 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.238 -4.712 -7.466 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.335 -4.943 -5.019 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.706 -5.280 -5.652 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.046 -3.726 -4.855 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.832 -3.324 -6.205 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.618 -2.027 -6.102 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.273 -2.510 -7.685 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.887 -6.366 -8.981 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.723 -7.248 -9.781 1.00 10.00 C ATOM 1209 C HIS A 80 -11.111 -6.642 -10.017 1.00 10.00 C ATOM 1210 O HIS A 80 -11.723 -6.114 -9.091 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.824 -8.607 -9.086 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.017 -9.757 -10.029 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.204 -10.377 -10.316 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.034 -10.390 -10.741 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.951 -11.345 -11.207 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.642 -11.389 -11.505 1.00 10.00 N ATOM 0 H HIS A 80 -8.496 -6.814 -8.152 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.265 -7.379 -10.762 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.918 -8.775 -8.504 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.656 -8.583 -8.382 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.979 -10.159 -10.716 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.698 -12.001 -11.629 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.184 -12.024 -12.158 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.645 -6.727 -11.243 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.971 -6.214 -11.548 1.00 10.00 C ATOM 1226 C PRO A 81 -14.093 -6.998 -10.854 1.00 10.00 C ATOM 1227 O PRO A 81 -15.238 -6.572 -10.924 1.00 10.00 O ATOM 1228 CB PRO A 81 -13.081 -6.256 -13.074 1.00 10.00 C ATOM 1229 CG PRO A 81 -12.102 -7.356 -13.487 1.00 10.00 C ATOM 1230 CD PRO A 81 -11.020 -7.314 -12.416 1.00 10.00 C ATOM 0 HA PRO A 81 -13.095 -5.200 -11.167 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -14.097 -6.486 -13.394 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.815 -5.297 -13.520 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.589 -8.330 -13.523 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.689 -7.170 -14.478 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.645 -8.314 -12.200 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.168 -6.718 -12.744 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.776 -8.117 -10.188 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.737 -8.867 -9.380 1.00 10.00 C ATOM 1240 C ASP A 82 -14.999 -8.167 -8.039 1.00 10.00 C ATOM 1241 O ASP A 82 -16.058 -8.328 -7.441 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.191 -10.284 -9.161 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.195 -11.230 -8.519 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.353 -11.245 -8.986 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.749 -11.983 -7.628 1.00 10.00 O ATOM 0 H ASP A 82 -12.841 -8.526 -10.197 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.691 -8.918 -9.905 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.878 -10.696 -10.120 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.302 -10.229 -8.532 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.011 -7.404 -7.553 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.127 -6.665 -6.299 1.00 10.00 C ATOM 1252 C ASP A 83 -15.081 -5.472 -6.447 1.00 10.00 C ATOM 1253 O ASP A 83 -15.980 -5.283 -5.629 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.736 -6.208 -5.860 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.811 -5.328 -4.623 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.084 -4.120 -4.784 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.544 -5.885 -3.542 1.00 10.00 O ATOM 0 H ASP A 83 -13.112 -7.285 -8.021 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.548 -7.318 -5.534 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.113 -7.078 -5.653 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.258 -5.659 -6.671 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.835 -4.668 -7.486 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.602 -3.470 -7.811 1.00 10.00 C ATOM 1264 C ARG A 84 -17.088 -3.770 -8.033 1.00 10.00 C ATOM 1265 O ARG A 84 -17.396 -4.879 -8.519 1.00 10.00 O ATOM 1266 CB ARG A 84 -15.029 -2.826 -9.082 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.045 -1.694 -8.770 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.305 -1.288 -10.049 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.342 -2.328 -10.460 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.853 -2.497 -11.700 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -12.312 -1.751 -12.711 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.904 -3.409 -11.935 1.00 10.00 N ATOM 0 H ARG A 84 -14.073 -4.841 -8.141 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.521 -2.793 -6.961 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.525 -3.588 -9.677 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.846 -2.436 -9.689 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.579 -0.837 -8.360 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.331 -2.018 -8.012 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.024 -1.117 -10.850 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.780 -0.347 -9.886 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.020 -2.975 -9.740 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -13.035 -1.052 -12.542 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.939 -1.881 -13.651 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.547 -3.982 -11.170 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.537 -3.532 -12.879 1.00 10.00 H new