USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 542 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 71 HIS : no HD1:sc= -0.0101 X(o=-0.02,f=0) USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0101 X(o=-0.02,f=-0.00047) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= -0.161 USER MOD Set 2.2: A 45 GLN : amide:sc= 0 X(o=-0.16,f=-0.65) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -1.91! USER MOD Set 3.2: A 13 GLN :FLIP amide:sc= 0 F(o=-2.8,f=-1.9) USER MOD Set 4.1: A 3 GLN :FLIP amide:sc= -0.29 F(o=-6.7!,f=-0.5) USER MOD Set 4.2: A 62 ASN : amide:sc= -0.206! C(o=-0.5!,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0851 (180deg=-0.102) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0417 USER MOD Single : A 4 LYS NZ :NH3+ 174:sc=-0.00404 (180deg=-0.0702) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.07) USER MOD Single : A 9 MET CE :methyl -166:sc= -0.0491 (180deg=-0.332) USER MOD Single : A 16 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.055) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 18 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-7.7!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -17:sc= 0.667 USER MOD Single : A 29 ASN : amide:sc= -0.432 K(o=-0.43,f=-3.2!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -164:sc= -0.112 (180deg=-0.457) USER MOD Single : A 39 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.08) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 50 HIS : +bothHN:sc= 1.92 K(o=1.9,f=-11!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 68 HIS : no HE2:sc= -1.02 K(o=-1,f=-3.3!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=0.0041) USER MOD Single : A 70 HIS : no HE2:sc= -0.0409 X(o=-0.041,f=-0.12) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.356 13.341 -0.098 1.00 1.52 N ATOM 2 CA MET A 1 -16.563 12.114 -0.913 1.00 1.45 C ATOM 3 C MET A 1 -15.419 11.108 -0.714 1.00 11.04 C ATOM 4 O MET A 1 -14.483 11.363 0.049 1.00 64.42 O ATOM 5 CB MET A 1 -16.716 12.483 -2.395 1.00 62.30 C ATOM 6 CG MET A 1 -17.991 13.263 -2.695 1.00 32.30 C ATOM 7 SD MET A 1 -18.179 13.666 -4.444 1.00 30.23 S ATOM 8 CE MET A 1 -19.867 14.274 -4.471 1.00 13.20 C ATOM 0 H1 MET A 1 -17.143 13.448 0.574 1.00 1.52 H new ATOM 0 H2 MET A 1 -15.461 13.263 0.426 1.00 1.52 H new ATOM 0 H3 MET A 1 -16.319 14.171 -0.723 1.00 1.52 H new ATOM 0 HA MET A 1 -17.481 11.633 -0.576 1.00 1.45 H new ATOM 0 HB2 MET A 1 -15.855 13.075 -2.705 1.00 62.30 H new ATOM 0 HB3 MET A 1 -16.708 11.571 -2.992 1.00 62.30 H new ATOM 0 HG2 MET A 1 -18.852 12.680 -2.368 1.00 32.30 H new ATOM 0 HG3 MET A 1 -17.991 14.185 -2.114 1.00 32.30 H new ATOM 0 HE1 MET A 1 -20.133 14.564 -5.487 1.00 13.20 H new ATOM 0 HE2 MET A 1 -20.542 13.489 -4.129 1.00 13.20 H new ATOM 0 HE3 MET A 1 -19.953 15.138 -3.813 1.00 13.20 H new ATOM 20 N THR A 2 -15.506 9.968 -1.407 1.00 54.25 N ATOM 21 CA THR A 2 -14.557 8.851 -1.228 1.00 72.52 C ATOM 22 C THR A 2 -13.094 9.231 -1.539 1.00 35.32 C ATOM 23 O THR A 2 -12.801 10.329 -2.018 1.00 24.42 O ATOM 24 CB THR A 2 -14.953 7.625 -2.090 1.00 72.12 C ATOM 25 OG1 THR A 2 -14.073 6.521 -1.821 1.00 2.51 O ATOM 26 CG2 THR A 2 -14.915 7.959 -3.579 1.00 42.15 C ATOM 0 H THR A 2 -16.229 9.789 -2.104 1.00 54.25 H new ATOM 0 HA THR A 2 -14.617 8.596 -0.170 1.00 72.52 H new ATOM 0 HB THR A 2 -15.973 7.349 -1.825 1.00 72.12 H new ATOM 0 HG1 THR A 2 -14.335 5.753 -2.370 1.00 2.51 H new ATOM 0 HG21 THR A 2 -15.198 7.079 -4.157 1.00 42.15 H new ATOM 0 HG22 THR A 2 -15.613 8.770 -3.788 1.00 42.15 H new ATOM 0 HG23 THR A 2 -13.907 8.267 -3.857 1.00 42.15 H new ATOM 34 N GLN A 3 -12.185 8.293 -1.276 1.00 53.22 N ATOM 35 CA GLN A 3 -10.737 8.532 -1.381 1.00 23.32 C ATOM 36 C GLN A 3 -10.173 8.103 -2.748 1.00 33.30 C ATOM 37 O GLN A 3 -10.821 7.374 -3.503 1.00 42.21 O ATOM 38 CB GLN A 3 -10.014 7.744 -0.277 1.00 51.34 C ATOM 39 CG GLN A 3 -10.562 7.992 1.125 1.00 62.43 C ATOM 40 CD GLN A 3 -9.935 7.090 2.177 1.00 72.34 C ATOM 41 OE1 GLN A 3 -8.681 6.727 1.992 1.00 62.32 O flip ATOM 42 NE2 GLN A 3 -10.565 6.732 3.163 1.00 72.23 N flip ATOM 0 H GLN A 3 -12.426 7.346 -0.984 1.00 53.22 H new ATOM 0 HA GLN A 3 -10.571 9.604 -1.271 1.00 23.32 H new ATOM 0 HB2 GLN A 3 -10.084 6.679 -0.500 1.00 51.34 H new ATOM 0 HB3 GLN A 3 -8.956 8.004 -0.293 1.00 51.34 H new ATOM 0 HG2 GLN A 3 -10.389 9.033 1.398 1.00 62.43 H new ATOM 0 HG3 GLN A 3 -11.641 7.839 1.120 1.00 62.43 H new ATOM 0 HE21 GLN A 3 -11.534 7.026 3.283 1.00 72.23 H new ATOM 0 HE22 GLN A 3 -10.121 6.139 3.864 1.00 72.23 H new ATOM 51 N LYS A 4 -8.956 8.556 -3.057 1.00 14.34 N ATOM 52 CA LYS A 4 -8.235 8.093 -4.251 1.00 22.44 C ATOM 53 C LYS A 4 -7.568 6.735 -3.992 1.00 12.41 C ATOM 54 O LYS A 4 -7.765 5.780 -4.745 1.00 70.33 O ATOM 55 CB LYS A 4 -7.181 9.123 -4.685 1.00 22.31 C ATOM 56 CG LYS A 4 -7.772 10.425 -5.221 1.00 23.44 C ATOM 57 CD LYS A 4 -6.691 11.379 -5.731 1.00 24.44 C ATOM 58 CE LYS A 4 -5.844 10.752 -6.838 1.00 62.44 C ATOM 59 NZ LYS A 4 -6.658 10.328 -8.011 1.00 74.41 N ATOM 0 H LYS A 4 -8.447 9.242 -2.500 1.00 14.34 H new ATOM 0 HA LYS A 4 -8.961 7.977 -5.056 1.00 22.44 H new ATOM 0 HB2 LYS A 4 -6.538 9.350 -3.835 1.00 22.31 H new ATOM 0 HB3 LYS A 4 -6.548 8.679 -5.454 1.00 22.31 H new ATOM 0 HG2 LYS A 4 -8.468 10.201 -6.029 1.00 23.44 H new ATOM 0 HG3 LYS A 4 -8.345 10.914 -4.433 1.00 23.44 H new ATOM 0 HD2 LYS A 4 -7.159 12.289 -6.105 1.00 24.44 H new ATOM 0 HD3 LYS A 4 -6.045 11.670 -4.902 1.00 24.44 H new ATOM 0 HE2 LYS A 4 -5.090 11.469 -7.164 1.00 62.44 H new ATOM 0 HE3 LYS A 4 -5.312 9.889 -6.438 1.00 62.44 H new ATOM 0 HZ1 LYS A 4 -6.028 10.004 -8.772 1.00 74.41 H new ATOM 0 HZ2 LYS A 4 -7.291 9.552 -7.732 1.00 74.41 H new ATOM 0 HZ3 LYS A 4 -7.224 11.132 -8.349 1.00 74.41 H new ATOM 73 N PHE A 5 -6.776 6.656 -2.924 1.00 62.01 N ATOM 74 CA PHE A 5 -6.164 5.389 -2.510 1.00 33.12 C ATOM 75 C PHE A 5 -7.149 4.557 -1.676 1.00 73.30 C ATOM 76 O PHE A 5 -7.512 4.937 -0.559 1.00 1.21 O ATOM 77 CB PHE A 5 -4.883 5.639 -1.703 1.00 70.50 C ATOM 78 CG PHE A 5 -3.757 6.235 -2.510 1.00 34.34 C ATOM 79 CD1 PHE A 5 -3.614 7.611 -2.624 1.00 41.22 C ATOM 80 CD2 PHE A 5 -2.838 5.416 -3.150 1.00 61.35 C ATOM 81 CE1 PHE A 5 -2.578 8.155 -3.355 1.00 74.54 C ATOM 82 CE2 PHE A 5 -1.801 5.956 -3.884 1.00 60.43 C ATOM 83 CZ PHE A 5 -1.670 7.326 -3.986 1.00 2.25 C ATOM 0 H PHE A 5 -6.542 7.451 -2.329 1.00 62.01 H new ATOM 0 HA PHE A 5 -5.907 4.833 -3.412 1.00 33.12 H new ATOM 0 HB2 PHE A 5 -5.113 6.306 -0.872 1.00 70.50 H new ATOM 0 HB3 PHE A 5 -4.548 4.696 -1.271 1.00 70.50 H new ATOM 0 HD1 PHE A 5 -4.322 8.263 -2.135 1.00 41.22 H new ATOM 0 HD2 PHE A 5 -2.935 4.343 -3.073 1.00 61.35 H new ATOM 0 HE1 PHE A 5 -2.477 9.227 -3.434 1.00 74.54 H new ATOM 0 HE2 PHE A 5 -1.093 5.307 -4.378 1.00 60.43 H new ATOM 0 HZ PHE A 5 -0.858 7.750 -4.559 1.00 2.25 H new ATOM 93 N THR A 6 -7.584 3.432 -2.231 1.00 21.11 N ATOM 94 CA THR A 6 -8.540 2.542 -1.555 1.00 53.20 C ATOM 95 C THR A 6 -7.924 1.170 -1.261 1.00 15.25 C ATOM 96 O THR A 6 -6.891 0.811 -1.814 1.00 64.13 O ATOM 97 CB THR A 6 -9.823 2.339 -2.398 1.00 65.10 C ATOM 98 OG1 THR A 6 -10.701 1.402 -1.751 1.00 63.20 O ATOM 99 CG2 THR A 6 -9.488 1.840 -3.803 1.00 32.04 C ATOM 0 H THR A 6 -7.292 3.107 -3.153 1.00 21.11 H new ATOM 0 HA THR A 6 -8.799 3.030 -0.615 1.00 53.20 H new ATOM 0 HB THR A 6 -10.321 3.305 -2.483 1.00 65.10 H new ATOM 0 HG1 THR A 6 -11.509 1.283 -2.293 1.00 63.20 H new ATOM 0 HG21 THR A 6 -10.409 1.707 -4.371 1.00 32.04 H new ATOM 0 HG22 THR A 6 -8.853 2.569 -4.306 1.00 32.04 H new ATOM 0 HG23 THR A 6 -8.963 0.887 -3.735 1.00 32.04 H new ATOM 107 N LYS A 7 -8.574 0.397 -0.398 1.00 4.44 N ATOM 108 CA LYS A 7 -8.084 -0.938 -0.036 1.00 64.33 C ATOM 109 C LYS A 7 -8.221 -1.921 -1.211 1.00 42.55 C ATOM 110 O LYS A 7 -7.583 -2.974 -1.231 1.00 31.25 O ATOM 111 CB LYS A 7 -8.850 -1.468 1.184 1.00 3.32 C ATOM 112 CG LYS A 7 -10.361 -1.563 0.976 1.00 71.12 C ATOM 113 CD LYS A 7 -11.065 -2.166 2.189 1.00 43.04 C ATOM 114 CE LYS A 7 -10.873 -1.318 3.443 1.00 25.31 C ATOM 115 NZ LYS A 7 -11.440 -1.973 4.649 1.00 73.15 N ATOM 0 H LYS A 7 -9.441 0.667 0.066 1.00 4.44 H new ATOM 0 HA LYS A 7 -7.026 -0.852 0.212 1.00 64.33 H new ATOM 0 HB2 LYS A 7 -8.466 -2.455 1.440 1.00 3.32 H new ATOM 0 HB3 LYS A 7 -8.651 -0.818 2.036 1.00 3.32 H new ATOM 0 HG2 LYS A 7 -10.764 -0.569 0.779 1.00 71.12 H new ATOM 0 HG3 LYS A 7 -10.569 -2.171 0.096 1.00 71.12 H new ATOM 0 HD2 LYS A 7 -12.130 -2.265 1.978 1.00 43.04 H new ATOM 0 HD3 LYS A 7 -10.681 -3.170 2.368 1.00 43.04 H new ATOM 0 HE2 LYS A 7 -9.810 -1.133 3.597 1.00 25.31 H new ATOM 0 HE3 LYS A 7 -11.348 -0.347 3.301 1.00 25.31 H new ATOM 0 HZ1 LYS A 7 -11.200 -1.414 5.493 1.00 73.15 H new ATOM 0 HZ2 LYS A 7 -12.474 -2.034 4.557 1.00 73.15 H new ATOM 0 HZ3 LYS A 7 -11.043 -2.930 4.743 1.00 73.15 H new ATOM 129 N ASP A 8 -9.056 -1.556 -2.184 1.00 11.13 N ATOM 130 CA ASP A 8 -9.341 -2.401 -3.350 1.00 30.11 C ATOM 131 C ASP A 8 -8.227 -2.334 -4.420 1.00 1.30 C ATOM 132 O ASP A 8 -8.029 -3.283 -5.186 1.00 63.05 O ATOM 133 CB ASP A 8 -10.689 -1.971 -3.945 1.00 12.22 C ATOM 134 CG ASP A 8 -11.051 -2.702 -5.227 1.00 52.02 C ATOM 135 OD1 ASP A 8 -11.183 -3.941 -5.197 1.00 23.20 O ATOM 136 OD2 ASP A 8 -11.229 -2.030 -6.267 1.00 20.43 O ATOM 0 H ASP A 8 -9.555 -0.667 -2.189 1.00 11.13 H new ATOM 0 HA ASP A 8 -9.383 -3.439 -3.020 1.00 30.11 H new ATOM 0 HB2 ASP A 8 -11.473 -2.140 -3.207 1.00 12.22 H new ATOM 0 HB3 ASP A 8 -10.664 -0.899 -4.143 1.00 12.22 H new ATOM 141 N MET A 9 -7.493 -1.223 -4.469 1.00 52.04 N ATOM 142 CA MET A 9 -6.435 -1.052 -5.476 1.00 50.00 C ATOM 143 C MET A 9 -5.167 -1.827 -5.085 1.00 32.21 C ATOM 144 O MET A 9 -4.887 -2.023 -3.901 1.00 23.30 O ATOM 145 CB MET A 9 -6.114 0.438 -5.689 1.00 53.14 C ATOM 146 CG MET A 9 -5.522 1.131 -4.471 1.00 4.53 C ATOM 147 SD MET A 9 -5.397 2.920 -4.674 1.00 23.22 S ATOM 148 CE MET A 9 -4.307 3.039 -6.091 1.00 4.53 C ATOM 0 H MET A 9 -7.606 -0.434 -3.833 1.00 52.04 H new ATOM 0 HA MET A 9 -6.804 -1.460 -6.417 1.00 50.00 H new ATOM 0 HB2 MET A 9 -5.416 0.532 -6.521 1.00 53.14 H new ATOM 0 HB3 MET A 9 -7.028 0.957 -5.979 1.00 53.14 H new ATOM 0 HG2 MET A 9 -6.138 0.911 -3.599 1.00 4.53 H new ATOM 0 HG3 MET A 9 -4.531 0.723 -4.272 1.00 4.53 H new ATOM 0 HE1 MET A 9 -3.940 4.061 -6.183 1.00 4.53 H new ATOM 0 HE2 MET A 9 -3.464 2.361 -5.959 1.00 4.53 H new ATOM 0 HE3 MET A 9 -4.853 2.767 -6.994 1.00 4.53 H new ATOM 158 N THR A 10 -4.408 -2.264 -6.085 1.00 31.52 N ATOM 159 CA THR A 10 -3.212 -3.085 -5.850 1.00 21.22 C ATOM 160 C THR A 10 -1.989 -2.235 -5.496 1.00 1.04 C ATOM 161 O THR A 10 -1.935 -1.041 -5.805 1.00 52.42 O ATOM 162 CB THR A 10 -2.862 -3.947 -7.087 1.00 24.45 C ATOM 163 OG1 THR A 10 -2.441 -3.111 -8.175 1.00 5.34 O ATOM 164 CG2 THR A 10 -4.059 -4.780 -7.523 1.00 31.34 C ATOM 0 H THR A 10 -4.595 -2.066 -7.068 1.00 31.52 H new ATOM 0 HA THR A 10 -3.457 -3.730 -5.006 1.00 21.22 H new ATOM 0 HB THR A 10 -2.048 -4.617 -6.809 1.00 24.45 H new ATOM 0 HG1 THR A 10 -2.221 -3.669 -8.950 1.00 5.34 H new ATOM 0 HG21 THR A 10 -3.789 -5.377 -8.394 1.00 31.34 H new ATOM 0 HG22 THR A 10 -4.359 -5.440 -6.709 1.00 31.34 H new ATOM 0 HG23 THR A 10 -4.888 -4.120 -7.779 1.00 31.34 H new ATOM 172 N PHE A 11 -1.007 -2.864 -4.849 1.00 35.05 N ATOM 173 CA PHE A 11 0.258 -2.198 -4.508 1.00 11.45 C ATOM 174 C PHE A 11 0.912 -1.563 -5.748 1.00 31.33 C ATOM 175 O PHE A 11 1.406 -0.434 -5.692 1.00 63.20 O ATOM 176 CB PHE A 11 1.230 -3.197 -3.858 1.00 32.51 C ATOM 177 CG PHE A 11 0.770 -3.710 -2.515 1.00 4.33 C ATOM 178 CD1 PHE A 11 1.100 -3.031 -1.350 1.00 71.31 C ATOM 179 CD2 PHE A 11 0.010 -4.869 -2.414 1.00 41.51 C ATOM 180 CE1 PHE A 11 0.684 -3.496 -0.118 1.00 75.22 C ATOM 181 CE2 PHE A 11 -0.408 -5.337 -1.183 1.00 24.14 C ATOM 182 CZ PHE A 11 -0.071 -4.649 -0.035 1.00 21.21 C ATOM 0 H PHE A 11 -1.061 -3.837 -4.548 1.00 35.05 H new ATOM 0 HA PHE A 11 0.032 -1.402 -3.799 1.00 11.45 H new ATOM 0 HB2 PHE A 11 1.370 -4.043 -4.531 1.00 32.51 H new ATOM 0 HB3 PHE A 11 2.202 -2.719 -3.740 1.00 32.51 H new ATOM 0 HD1 PHE A 11 1.689 -2.128 -1.408 1.00 71.31 H new ATOM 0 HD2 PHE A 11 -0.257 -5.411 -3.309 1.00 41.51 H new ATOM 0 HE1 PHE A 11 0.949 -2.958 0.780 1.00 75.22 H new ATOM 0 HE2 PHE A 11 -0.997 -6.240 -1.119 1.00 24.14 H new ATOM 0 HZ PHE A 11 -0.398 -5.012 0.928 1.00 21.21 H new ATOM 192 N ALA A 12 0.899 -2.294 -6.863 1.00 40.30 N ATOM 193 CA ALA A 12 1.448 -1.793 -8.128 1.00 2.32 C ATOM 194 C ALA A 12 0.790 -0.465 -8.536 1.00 63.24 C ATOM 195 O ALA A 12 1.476 0.503 -8.869 1.00 51.04 O ATOM 196 CB ALA A 12 1.273 -2.835 -9.227 1.00 21.32 C ATOM 0 H ALA A 12 0.514 -3.237 -6.918 1.00 40.30 H new ATOM 0 HA ALA A 12 2.512 -1.606 -7.984 1.00 2.32 H new ATOM 0 HB1 ALA A 12 1.684 -2.452 -10.161 1.00 21.32 H new ATOM 0 HB2 ALA A 12 1.797 -3.749 -8.948 1.00 21.32 H new ATOM 0 HB3 ALA A 12 0.213 -3.050 -9.359 1.00 21.32 H new ATOM 202 N GLN A 13 -0.544 -0.423 -8.488 1.00 75.31 N ATOM 203 CA GLN A 13 -1.289 0.798 -8.817 1.00 71.33 C ATOM 204 C GLN A 13 -0.871 1.962 -7.906 1.00 63.35 C ATOM 205 O GLN A 13 -0.604 3.068 -8.379 1.00 10.43 O ATOM 206 CB GLN A 13 -2.800 0.563 -8.688 1.00 52.02 C ATOM 207 CG GLN A 13 -3.345 -0.533 -9.600 1.00 34.52 C ATOM 208 CD GLN A 13 -4.840 -0.764 -9.420 1.00 1.32 C ATOM 209 OE1 GLN A 13 -5.583 0.292 -9.149 1.00 65.23 O flip ATOM 210 NE2 GLN A 13 -5.328 -1.880 -9.552 1.00 74.04 N flip ATOM 0 H GLN A 13 -1.130 -1.216 -8.226 1.00 75.31 H new ATOM 0 HA GLN A 13 -1.054 1.058 -9.849 1.00 71.33 H new ATOM 0 HB2 GLN A 13 -3.029 0.306 -7.654 1.00 52.02 H new ATOM 0 HB3 GLN A 13 -3.321 1.495 -8.908 1.00 52.02 H new ATOM 0 HG2 GLN A 13 -3.146 -0.267 -10.638 1.00 34.52 H new ATOM 0 HG3 GLN A 13 -2.812 -1.463 -9.401 1.00 34.52 H new ATOM 0 HE21 GLN A 13 -4.728 -2.678 -9.761 1.00 74.04 H new ATOM 0 HE22 GLN A 13 -6.335 -2.011 -9.452 1.00 74.04 H new ATOM 219 N ALA A 14 -0.814 1.698 -6.599 1.00 51.04 N ATOM 220 CA ALA A 14 -0.431 2.714 -5.612 1.00 24.11 C ATOM 221 C ALA A 14 0.928 3.350 -5.952 1.00 74.34 C ATOM 222 O ALA A 14 1.056 4.577 -6.014 1.00 24.40 O ATOM 223 CB ALA A 14 -0.398 2.101 -4.217 1.00 45.02 C ATOM 0 H ALA A 14 -1.029 0.786 -6.197 1.00 51.04 H new ATOM 0 HA ALA A 14 -1.180 3.506 -5.637 1.00 24.11 H new ATOM 0 HB1 ALA A 14 -0.113 2.863 -3.491 1.00 45.02 H new ATOM 0 HB2 ALA A 14 -1.385 1.713 -3.967 1.00 45.02 H new ATOM 0 HB3 ALA A 14 0.328 1.288 -4.194 1.00 45.02 H new ATOM 229 N LEU A 15 1.931 2.504 -6.187 1.00 11.21 N ATOM 230 CA LEU A 15 3.273 2.969 -6.561 1.00 63.10 C ATOM 231 C LEU A 15 3.243 3.793 -7.862 1.00 51.00 C ATOM 232 O LEU A 15 3.934 4.807 -7.987 1.00 72.44 O ATOM 233 CB LEU A 15 4.221 1.771 -6.725 1.00 54.11 C ATOM 234 CG LEU A 15 4.429 0.916 -5.464 1.00 34.35 C ATOM 235 CD1 LEU A 15 5.334 -0.279 -5.763 1.00 74.43 C ATOM 236 CD2 LEU A 15 5.005 1.761 -4.331 1.00 52.21 C ATOM 0 H LEU A 15 1.842 1.490 -6.126 1.00 11.21 H new ATOM 0 HA LEU A 15 3.636 3.614 -5.761 1.00 63.10 H new ATOM 0 HB2 LEU A 15 3.835 1.130 -7.518 1.00 54.11 H new ATOM 0 HB3 LEU A 15 5.191 2.140 -7.057 1.00 54.11 H new ATOM 0 HG LEU A 15 3.459 0.535 -5.146 1.00 34.35 H new ATOM 0 HD11 LEU A 15 5.468 -0.870 -4.857 1.00 74.43 H new ATOM 0 HD12 LEU A 15 4.877 -0.897 -6.535 1.00 74.43 H new ATOM 0 HD13 LEU A 15 6.304 0.077 -6.110 1.00 74.43 H new ATOM 0 HD21 LEU A 15 5.145 1.138 -3.447 1.00 52.21 H new ATOM 0 HD22 LEU A 15 5.965 2.176 -4.638 1.00 52.21 H new ATOM 0 HD23 LEU A 15 4.317 2.573 -4.097 1.00 52.21 H new ATOM 248 N GLN A 16 2.429 3.354 -8.821 1.00 62.23 N ATOM 249 CA GLN A 16 2.309 4.030 -10.121 1.00 13.33 C ATOM 250 C GLN A 16 1.350 5.238 -10.065 1.00 42.14 C ATOM 251 O GLN A 16 1.120 5.903 -11.075 1.00 42.42 O ATOM 252 CB GLN A 16 1.841 3.025 -11.187 1.00 75.34 C ATOM 253 CG GLN A 16 2.831 1.888 -11.434 1.00 15.31 C ATOM 254 CD GLN A 16 4.161 2.379 -11.984 1.00 42.22 C ATOM 255 OE1 GLN A 16 4.351 2.474 -13.194 1.00 34.20 O ATOM 256 NE2 GLN A 16 5.092 2.693 -11.105 1.00 51.11 N ATOM 0 H GLN A 16 1.838 2.528 -8.725 1.00 62.23 H new ATOM 0 HA GLN A 16 3.293 4.416 -10.386 1.00 13.33 H new ATOM 0 HB2 GLN A 16 0.884 2.602 -10.880 1.00 75.34 H new ATOM 0 HB3 GLN A 16 1.669 3.556 -12.124 1.00 75.34 H new ATOM 0 HG2 GLN A 16 3.004 1.352 -10.500 1.00 15.31 H new ATOM 0 HG3 GLN A 16 2.393 1.176 -12.134 1.00 15.31 H new ATOM 0 HE21 GLN A 16 4.902 2.603 -10.107 1.00 51.11 H new ATOM 0 HE22 GLN A 16 6.002 3.026 -11.423 1.00 51.11 H new ATOM 265 N THR A 17 0.783 5.508 -8.890 1.00 5.04 N ATOM 266 CA THR A 17 -0.069 6.692 -8.697 1.00 0.33 C ATOM 267 C THR A 17 0.704 7.817 -7.987 1.00 24.24 C ATOM 268 O THR A 17 0.565 8.994 -8.323 1.00 12.20 O ATOM 269 CB THR A 17 -1.347 6.358 -7.883 1.00 11.25 C ATOM 270 OG1 THR A 17 -2.106 5.333 -8.543 1.00 34.44 O ATOM 271 CG2 THR A 17 -2.233 7.586 -7.698 1.00 33.33 C ATOM 0 H THR A 17 0.894 4.929 -8.058 1.00 5.04 H new ATOM 0 HA THR A 17 -0.368 7.027 -9.690 1.00 0.33 H new ATOM 0 HB THR A 17 -1.022 6.010 -6.902 1.00 11.25 H new ATOM 0 HG1 THR A 17 -1.553 4.530 -8.643 1.00 34.44 H new ATOM 0 HG21 THR A 17 -3.118 7.313 -7.123 1.00 33.33 H new ATOM 0 HG22 THR A 17 -1.678 8.358 -7.165 1.00 33.33 H new ATOM 0 HG23 THR A 17 -2.537 7.966 -8.673 1.00 33.33 H new ATOM 279 N HIS A 18 1.508 7.447 -6.986 1.00 13.30 N ATOM 280 CA HIS A 18 2.371 8.401 -6.266 1.00 23.21 C ATOM 281 C HIS A 18 3.655 7.712 -5.764 1.00 4.30 C ATOM 282 O HIS A 18 3.593 6.863 -4.877 1.00 24.23 O ATOM 283 CB HIS A 18 1.625 9.030 -5.073 1.00 20.35 C ATOM 284 CG HIS A 18 0.596 10.055 -5.454 1.00 44.35 C ATOM 285 ND1 HIS A 18 -0.722 9.742 -5.707 1.00 63.12 N ATOM 286 CD2 HIS A 18 0.691 11.399 -5.603 1.00 40.45 C ATOM 287 CE1 HIS A 18 -1.390 10.841 -5.993 1.00 1.14 C ATOM 288 NE2 HIS A 18 -0.559 11.858 -5.937 1.00 60.42 N ATOM 0 H HIS A 18 1.582 6.487 -6.650 1.00 13.30 H new ATOM 0 HA HIS A 18 2.642 9.189 -6.968 1.00 23.21 H new ATOM 0 HB2 HIS A 18 1.137 8.237 -4.506 1.00 20.35 H new ATOM 0 HB3 HIS A 18 2.354 9.494 -4.409 1.00 20.35 H new ATOM 0 HD2 HIS A 18 1.583 11.996 -5.482 1.00 40.45 H new ATOM 0 HE1 HIS A 18 -2.442 10.897 -6.233 1.00 1.14 H new ATOM 0 HE2 HIS A 18 -0.804 12.832 -6.113 1.00 60.42 H new ATOM 297 N PRO A 19 4.834 8.078 -6.315 1.00 63.21 N ATOM 298 CA PRO A 19 6.132 7.505 -5.894 1.00 5.32 C ATOM 299 C PRO A 19 6.333 7.479 -4.364 1.00 45.32 C ATOM 300 O PRO A 19 6.944 6.554 -3.826 1.00 2.04 O ATOM 301 CB PRO A 19 7.152 8.439 -6.556 1.00 70.44 C ATOM 302 CG PRO A 19 6.460 8.938 -7.778 1.00 20.21 C ATOM 303 CD PRO A 19 5.002 9.062 -7.408 1.00 51.44 C ATOM 0 HA PRO A 19 6.219 6.459 -6.188 1.00 5.32 H new ATOM 0 HB2 PRO A 19 7.428 9.259 -5.893 1.00 70.44 H new ATOM 0 HB3 PRO A 19 8.071 7.909 -6.808 1.00 70.44 H new ATOM 0 HG2 PRO A 19 6.866 9.900 -8.091 1.00 20.21 H new ATOM 0 HG3 PRO A 19 6.594 8.248 -8.611 1.00 20.21 H new ATOM 0 HD2 PRO A 19 4.757 10.072 -7.079 1.00 51.44 H new ATOM 0 HD3 PRO A 19 4.353 8.836 -8.254 1.00 51.44 H new ATOM 311 N GLY A 20 5.805 8.493 -3.671 1.00 72.21 N ATOM 312 CA GLY A 20 5.928 8.567 -2.213 1.00 20.20 C ATOM 313 C GLY A 20 5.386 7.333 -1.485 1.00 43.51 C ATOM 314 O GLY A 20 5.819 7.018 -0.373 1.00 43.31 O ATOM 0 H GLY A 20 5.292 9.268 -4.093 1.00 72.21 H new ATOM 0 HA2 GLY A 20 6.978 8.699 -1.952 1.00 20.20 H new ATOM 0 HA3 GLY A 20 5.397 9.450 -1.857 1.00 20.20 H new ATOM 318 N VAL A 21 4.445 6.630 -2.121 1.00 52.45 N ATOM 319 CA VAL A 21 3.870 5.399 -1.561 1.00 42.10 C ATOM 320 C VAL A 21 4.960 4.368 -1.217 1.00 15.14 C ATOM 321 O VAL A 21 4.835 3.617 -0.249 1.00 34.50 O ATOM 322 CB VAL A 21 2.848 4.763 -2.541 1.00 1.01 C ATOM 323 CG1 VAL A 21 2.335 3.422 -2.021 1.00 51.34 C ATOM 324 CG2 VAL A 21 1.679 5.719 -2.797 1.00 62.44 C ATOM 0 H VAL A 21 4.062 6.892 -3.029 1.00 52.45 H new ATOM 0 HA VAL A 21 3.356 5.681 -0.642 1.00 42.10 H new ATOM 0 HB VAL A 21 3.364 4.581 -3.484 1.00 1.01 H new ATOM 0 HG11 VAL A 21 1.622 3.005 -2.732 1.00 51.34 H new ATOM 0 HG12 VAL A 21 3.172 2.734 -1.901 1.00 51.34 H new ATOM 0 HG13 VAL A 21 1.845 3.568 -1.059 1.00 51.34 H new ATOM 0 HG21 VAL A 21 0.974 5.255 -3.486 1.00 62.44 H new ATOM 0 HG22 VAL A 21 1.175 5.938 -1.856 1.00 62.44 H new ATOM 0 HG23 VAL A 21 2.055 6.645 -3.232 1.00 62.44 H new ATOM 334 N ALA A 22 6.041 4.353 -2.001 1.00 34.43 N ATOM 335 CA ALA A 22 7.163 3.435 -1.758 1.00 63.42 C ATOM 336 C ALA A 22 7.701 3.564 -0.323 1.00 2.41 C ATOM 337 O ALA A 22 7.920 2.564 0.365 1.00 72.35 O ATOM 338 CB ALA A 22 8.278 3.690 -2.766 1.00 60.45 C ATOM 0 H ALA A 22 6.166 4.964 -2.808 1.00 34.43 H new ATOM 0 HA ALA A 22 6.793 2.417 -1.882 1.00 63.42 H new ATOM 0 HB1 ALA A 22 9.104 3.004 -2.576 1.00 60.45 H new ATOM 0 HB2 ALA A 22 7.899 3.531 -3.776 1.00 60.45 H new ATOM 0 HB3 ALA A 22 8.629 4.717 -2.668 1.00 60.45 H new ATOM 344 N GLY A 23 7.889 4.804 0.126 1.00 61.32 N ATOM 345 CA GLY A 23 8.365 5.050 1.482 1.00 31.35 C ATOM 346 C GLY A 23 7.345 4.650 2.541 1.00 63.21 C ATOM 347 O GLY A 23 7.697 4.054 3.563 1.00 3.14 O ATOM 0 H GLY A 23 7.720 5.646 -0.425 1.00 61.32 H new ATOM 0 HA2 GLY A 23 9.289 4.496 1.645 1.00 31.35 H new ATOM 0 HA3 GLY A 23 8.604 6.108 1.593 1.00 31.35 H new ATOM 351 N VAL A 24 6.077 4.971 2.290 1.00 13.24 N ATOM 352 CA VAL A 24 4.987 4.610 3.203 1.00 25.11 C ATOM 353 C VAL A 24 4.924 3.086 3.416 1.00 54.52 C ATOM 354 O VAL A 24 4.930 2.605 4.552 1.00 61.10 O ATOM 355 CB VAL A 24 3.620 5.113 2.672 1.00 54.53 C ATOM 356 CG1 VAL A 24 2.492 4.760 3.640 1.00 23.02 C ATOM 357 CG2 VAL A 24 3.664 6.619 2.417 1.00 54.21 C ATOM 0 H VAL A 24 5.776 5.482 1.460 1.00 13.24 H new ATOM 0 HA VAL A 24 5.194 5.094 4.157 1.00 25.11 H new ATOM 0 HB VAL A 24 3.419 4.610 1.726 1.00 54.53 H new ATOM 0 HG11 VAL A 24 1.545 5.124 3.243 1.00 23.02 H new ATOM 0 HG12 VAL A 24 2.442 3.678 3.762 1.00 23.02 H new ATOM 0 HG13 VAL A 24 2.683 5.225 4.607 1.00 23.02 H new ATOM 0 HG21 VAL A 24 2.696 6.953 2.045 1.00 54.21 H new ATOM 0 HG22 VAL A 24 3.895 7.139 3.347 1.00 54.21 H new ATOM 0 HG23 VAL A 24 4.433 6.840 1.677 1.00 54.21 H new ATOM 367 N LEU A 25 4.881 2.334 2.315 1.00 14.22 N ATOM 368 CA LEU A 25 4.850 0.864 2.372 1.00 32.22 C ATOM 369 C LEU A 25 6.049 0.307 3.159 1.00 24.14 C ATOM 370 O LEU A 25 5.891 -0.545 4.037 1.00 4.11 O ATOM 371 CB LEU A 25 4.837 0.269 0.952 1.00 11.22 C ATOM 372 CG LEU A 25 3.628 0.650 0.083 1.00 34.32 C ATOM 373 CD1 LEU A 25 3.711 -0.031 -1.283 1.00 73.43 C ATOM 374 CD2 LEU A 25 2.318 0.303 0.789 1.00 31.05 C ATOM 0 H LEU A 25 4.867 2.716 1.369 1.00 14.22 H new ATOM 0 HA LEU A 25 3.936 0.575 2.891 1.00 32.22 H new ATOM 0 HB2 LEU A 25 5.745 0.583 0.437 1.00 11.22 H new ATOM 0 HB3 LEU A 25 4.876 -0.817 1.032 1.00 11.22 H new ATOM 0 HG LEU A 25 3.647 1.728 -0.074 1.00 34.32 H new ATOM 0 HD11 LEU A 25 2.846 0.251 -1.883 1.00 73.43 H new ATOM 0 HD12 LEU A 25 4.623 0.282 -1.791 1.00 73.43 H new ATOM 0 HD13 LEU A 25 3.723 -1.113 -1.150 1.00 73.43 H new ATOM 0 HD21 LEU A 25 1.477 0.582 0.154 1.00 31.05 H new ATOM 0 HD22 LEU A 25 2.284 -0.768 0.986 1.00 31.05 H new ATOM 0 HD23 LEU A 25 2.257 0.847 1.731 1.00 31.05 H new ATOM 386 N ARG A 26 7.248 0.798 2.846 1.00 4.30 N ATOM 387 CA ARG A 26 8.466 0.389 3.562 1.00 50.45 C ATOM 388 C ARG A 26 8.361 0.672 5.072 1.00 61.02 C ATOM 389 O ARG A 26 8.841 -0.111 5.899 1.00 52.44 O ATOM 390 CB ARG A 26 9.689 1.109 2.980 1.00 22.33 C ATOM 391 CG ARG A 26 10.056 0.664 1.567 1.00 41.30 C ATOM 392 CD ARG A 26 11.235 1.461 1.017 1.00 64.43 C ATOM 393 NE ARG A 26 12.392 1.414 1.912 1.00 51.44 N ATOM 394 CZ ARG A 26 13.467 2.138 1.767 1.00 32.44 C ATOM 395 NH1 ARG A 26 13.590 2.955 0.771 1.00 0.45 N ATOM 396 NH2 ARG A 26 14.426 2.045 2.628 1.00 63.21 N ATOM 0 H ARG A 26 7.406 1.479 2.103 1.00 4.30 H new ATOM 0 HA ARG A 26 8.580 -0.687 3.430 1.00 50.45 H new ATOM 0 HB2 ARG A 26 9.497 2.182 2.974 1.00 22.33 H new ATOM 0 HB3 ARG A 26 10.543 0.941 3.636 1.00 22.33 H new ATOM 0 HG2 ARG A 26 10.304 -0.397 1.572 1.00 41.30 H new ATOM 0 HG3 ARG A 26 9.195 0.787 0.911 1.00 41.30 H new ATOM 0 HD2 ARG A 26 11.516 1.067 0.040 1.00 64.43 H new ATOM 0 HD3 ARG A 26 10.934 2.498 0.867 1.00 64.43 H new ATOM 0 HE ARG A 26 12.355 0.771 2.703 1.00 51.44 H new ATOM 0 HH11 ARG A 26 12.840 3.040 0.085 1.00 0.45 H new ATOM 0 HH12 ARG A 26 14.437 3.514 0.672 1.00 0.45 H new ATOM 0 HH21 ARG A 26 14.341 1.406 3.419 1.00 63.21 H new ATOM 0 HH22 ARG A 26 15.268 2.610 2.517 1.00 63.21 H new ATOM 410 N SER A 27 7.726 1.788 5.425 1.00 31.24 N ATOM 411 CA SER A 27 7.550 2.174 6.833 1.00 12.22 C ATOM 412 C SER A 27 6.710 1.138 7.602 1.00 62.41 C ATOM 413 O SER A 27 7.025 0.789 8.741 1.00 14.03 O ATOM 414 CB SER A 27 6.893 3.559 6.930 1.00 1.20 C ATOM 415 OG SER A 27 6.876 4.033 8.270 1.00 22.31 O ATOM 0 H SER A 27 7.322 2.445 4.758 1.00 31.24 H new ATOM 0 HA SER A 27 8.539 2.213 7.290 1.00 12.22 H new ATOM 0 HB2 SER A 27 7.434 4.265 6.300 1.00 1.20 H new ATOM 0 HB3 SER A 27 5.873 3.507 6.548 1.00 1.20 H new ATOM 0 HG SER A 27 6.453 4.917 8.299 1.00 22.31 H new ATOM 421 N TYR A 28 5.655 0.632 6.962 1.00 63.35 N ATOM 422 CA TYR A 28 4.789 -0.394 7.572 1.00 41.05 C ATOM 423 C TYR A 28 5.329 -1.820 7.347 1.00 21.53 C ATOM 424 O TYR A 28 4.714 -2.794 7.785 1.00 43.10 O ATOM 425 CB TYR A 28 3.364 -0.300 7.003 1.00 74.42 C ATOM 426 CG TYR A 28 2.632 0.985 7.345 1.00 13.35 C ATOM 427 CD1 TYR A 28 1.934 1.113 8.542 1.00 4.45 C ATOM 428 CD2 TYR A 28 2.625 2.063 6.468 1.00 21.30 C ATOM 429 CE1 TYR A 28 1.256 2.278 8.851 1.00 54.31 C ATOM 430 CE2 TYR A 28 1.950 3.228 6.771 1.00 34.41 C ATOM 431 CZ TYR A 28 1.266 3.331 7.962 1.00 62.24 C ATOM 432 OH TYR A 28 0.588 4.489 8.259 1.00 22.44 O ATOM 0 H TYR A 28 5.375 0.912 6.022 1.00 63.35 H new ATOM 0 HA TYR A 28 4.777 -0.200 8.645 1.00 41.05 H new ATOM 0 HB2 TYR A 28 3.412 -0.398 5.918 1.00 74.42 H new ATOM 0 HB3 TYR A 28 2.782 -1.144 7.373 1.00 74.42 H new ATOM 0 HD1 TYR A 28 1.922 0.290 9.241 1.00 4.45 H new ATOM 0 HD2 TYR A 28 3.158 1.988 5.532 1.00 21.30 H new ATOM 0 HE1 TYR A 28 0.721 2.362 9.785 1.00 54.31 H new ATOM 0 HE2 TYR A 28 1.958 4.056 6.077 1.00 34.41 H new ATOM 0 HH TYR A 28 -0.055 4.316 8.978 1.00 22.44 H new ATOM 442 N ASN A 29 6.484 -1.930 6.683 1.00 14.14 N ATOM 443 CA ASN A 29 7.062 -3.228 6.288 1.00 64.32 C ATOM 444 C ASN A 29 6.211 -3.903 5.192 1.00 33.32 C ATOM 445 O ASN A 29 5.601 -4.954 5.404 1.00 43.42 O ATOM 446 CB ASN A 29 7.229 -4.171 7.497 1.00 70.41 C ATOM 447 CG ASN A 29 8.040 -5.424 7.179 1.00 44.51 C ATOM 448 OD1 ASN A 29 8.129 -5.864 6.036 1.00 5.23 O ATOM 449 ND2 ASN A 29 8.615 -6.030 8.197 1.00 23.43 N ATOM 0 H ASN A 29 7.047 -1.127 6.403 1.00 14.14 H new ATOM 0 HA ASN A 29 8.054 -3.028 5.883 1.00 64.32 H new ATOM 0 HB2 ASN A 29 7.715 -3.628 8.308 1.00 70.41 H new ATOM 0 HB3 ASN A 29 6.244 -4.466 7.857 1.00 70.41 H new ATOM 0 HD21 ASN A 29 9.149 -6.885 8.046 1.00 23.43 H new ATOM 0 HD22 ASN A 29 8.526 -5.644 9.137 1.00 23.43 H new ATOM 456 N LEU A 30 6.156 -3.268 4.025 1.00 4.14 N ATOM 457 CA LEU A 30 5.453 -3.824 2.861 1.00 42.35 C ATOM 458 C LEU A 30 6.355 -3.837 1.617 1.00 32.15 C ATOM 459 O LEU A 30 5.911 -4.179 0.526 1.00 32.45 O ATOM 460 CB LEU A 30 4.169 -3.023 2.580 1.00 15.14 C ATOM 461 CG LEU A 30 3.052 -3.181 3.628 1.00 44.23 C ATOM 462 CD1 LEU A 30 1.911 -2.202 3.362 1.00 61.43 C ATOM 463 CD2 LEU A 30 2.533 -4.618 3.641 1.00 75.51 C ATOM 0 H LEU A 30 6.591 -2.361 3.855 1.00 4.14 H new ATOM 0 HA LEU A 30 5.185 -4.855 3.092 1.00 42.35 H new ATOM 0 HB2 LEU A 30 4.428 -1.967 2.506 1.00 15.14 H new ATOM 0 HB3 LEU A 30 3.778 -3.324 1.608 1.00 15.14 H new ATOM 0 HG LEU A 30 3.471 -2.953 4.608 1.00 44.23 H new ATOM 0 HD11 LEU A 30 1.135 -2.334 4.116 1.00 61.43 H new ATOM 0 HD12 LEU A 30 2.290 -1.181 3.406 1.00 61.43 H new ATOM 0 HD13 LEU A 30 1.492 -2.391 2.374 1.00 61.43 H new ATOM 0 HD21 LEU A 30 1.744 -4.713 4.387 1.00 75.51 H new ATOM 0 HD22 LEU A 30 2.135 -4.870 2.658 1.00 75.51 H new ATOM 0 HD23 LEU A 30 3.349 -5.297 3.887 1.00 75.51 H new ATOM 475 N GLY A 31 7.630 -3.488 1.788 1.00 11.01 N ATOM 476 CA GLY A 31 8.565 -3.490 0.663 1.00 63.32 C ATOM 477 C GLY A 31 8.800 -4.886 0.088 1.00 62.42 C ATOM 478 O GLY A 31 9.172 -5.039 -1.078 1.00 30.10 O ATOM 0 H GLY A 31 8.035 -3.204 2.680 1.00 11.01 H new ATOM 0 HA2 GLY A 31 8.182 -2.839 -0.123 1.00 63.32 H new ATOM 0 HA3 GLY A 31 9.517 -3.071 0.988 1.00 63.32 H new ATOM 482 N CYS A 32 8.553 -5.906 0.906 1.00 52.44 N ATOM 483 CA CYS A 32 8.745 -7.304 0.499 1.00 52.31 C ATOM 484 C CYS A 32 7.686 -7.772 -0.519 1.00 31.12 C ATOM 485 O CYS A 32 7.735 -8.910 -0.992 1.00 64.34 O ATOM 486 CB CYS A 32 8.717 -8.214 1.732 1.00 63.00 C ATOM 487 SG CYS A 32 9.952 -7.793 2.987 1.00 4.13 S ATOM 0 H CYS A 32 8.217 -5.794 1.862 1.00 52.44 H new ATOM 0 HA CYS A 32 9.717 -7.367 0.009 1.00 52.31 H new ATOM 0 HB2 CYS A 32 7.726 -8.167 2.183 1.00 63.00 H new ATOM 0 HB3 CYS A 32 8.874 -9.245 1.414 1.00 63.00 H new ATOM 0 HG CYS A 32 9.849 -8.614 3.989 1.00 4.13 H new ATOM 493 N ILE A 33 6.733 -6.895 -0.859 1.00 25.45 N ATOM 494 CA ILE A 33 5.690 -7.220 -1.851 1.00 73.51 C ATOM 495 C ILE A 33 6.290 -7.697 -3.185 1.00 51.31 C ATOM 496 O ILE A 33 5.699 -8.528 -3.877 1.00 70.25 O ATOM 497 CB ILE A 33 4.754 -6.014 -2.126 1.00 65.43 C ATOM 498 CG1 ILE A 33 5.577 -4.757 -2.468 1.00 61.43 C ATOM 499 CG2 ILE A 33 3.829 -5.769 -0.934 1.00 14.12 C ATOM 500 CD1 ILE A 33 4.741 -3.525 -2.755 1.00 45.02 C ATOM 0 H ILE A 33 6.659 -5.957 -0.465 1.00 25.45 H new ATOM 0 HA ILE A 33 5.108 -8.031 -1.412 1.00 73.51 H new ATOM 0 HB ILE A 33 4.129 -6.247 -2.988 1.00 65.43 H new ATOM 0 HG12 ILE A 33 6.250 -4.540 -1.638 1.00 61.43 H new ATOM 0 HG13 ILE A 33 6.200 -4.970 -3.337 1.00 61.43 H new ATOM 0 HG21 ILE A 33 3.180 -4.919 -1.146 1.00 14.12 H new ATOM 0 HG22 ILE A 33 3.220 -6.656 -0.758 1.00 14.12 H new ATOM 0 HG23 ILE A 33 4.426 -5.557 -0.047 1.00 14.12 H new ATOM 0 HD11 ILE A 33 5.397 -2.686 -2.986 1.00 45.02 H new ATOM 0 HD12 ILE A 33 4.087 -3.719 -3.605 1.00 45.02 H new ATOM 0 HD13 ILE A 33 4.137 -3.283 -1.880 1.00 45.02 H new ATOM 512 N GLY A 34 7.457 -7.162 -3.540 1.00 51.42 N ATOM 513 CA GLY A 34 8.149 -7.602 -4.746 1.00 61.20 C ATOM 514 C GLY A 34 8.632 -9.048 -4.652 1.00 1.30 C ATOM 515 O GLY A 34 8.616 -9.784 -5.639 1.00 51.13 O ATOM 0 H GLY A 34 7.937 -6.431 -3.015 1.00 51.42 H new ATOM 0 HA2 GLY A 34 7.481 -7.501 -5.601 1.00 61.20 H new ATOM 0 HA3 GLY A 34 9.002 -6.949 -4.929 1.00 61.20 H new ATOM 519 N CYS A 35 9.046 -9.454 -3.451 1.00 35.12 N ATOM 520 CA CYS A 35 9.547 -10.816 -3.211 1.00 11.52 C ATOM 521 C CYS A 35 8.397 -11.836 -3.156 1.00 11.23 C ATOM 522 O CYS A 35 8.450 -12.882 -3.800 1.00 54.23 O ATOM 523 CB CYS A 35 10.336 -10.862 -1.896 1.00 65.02 C ATOM 524 SG CYS A 35 11.736 -9.718 -1.832 1.00 63.51 S ATOM 0 H CYS A 35 9.046 -8.859 -2.623 1.00 35.12 H new ATOM 0 HA CYS A 35 10.201 -11.081 -4.042 1.00 11.52 H new ATOM 0 HB2 CYS A 35 9.660 -10.638 -1.071 1.00 65.02 H new ATOM 0 HB3 CYS A 35 10.703 -11.877 -1.740 1.00 65.02 H new ATOM 0 HG CYS A 35 12.336 -9.830 -0.684 1.00 63.51 H new ATOM 530 N MET A 36 7.361 -11.518 -2.380 1.00 14.51 N ATOM 531 CA MET A 36 6.192 -12.404 -2.238 1.00 52.13 C ATOM 532 C MET A 36 5.279 -12.352 -3.479 1.00 13.33 C ATOM 533 O MET A 36 4.326 -13.123 -3.597 1.00 53.24 O ATOM 534 CB MET A 36 5.394 -12.027 -0.981 1.00 65.44 C ATOM 535 CG MET A 36 4.839 -10.606 -1.006 1.00 24.23 C ATOM 536 SD MET A 36 4.045 -10.126 0.542 1.00 64.14 S ATOM 537 CE MET A 36 2.754 -11.362 0.666 1.00 52.43 C ATOM 0 H MET A 36 7.302 -10.656 -1.838 1.00 14.51 H new ATOM 0 HA MET A 36 6.561 -13.425 -2.142 1.00 52.13 H new ATOM 0 HB2 MET A 36 4.567 -12.728 -0.863 1.00 65.44 H new ATOM 0 HB3 MET A 36 6.035 -12.141 -0.107 1.00 65.44 H new ATOM 0 HG2 MET A 36 5.649 -9.910 -1.222 1.00 24.23 H new ATOM 0 HG3 MET A 36 4.118 -10.519 -1.819 1.00 24.23 H new ATOM 0 HE1 MET A 36 2.013 -11.042 1.398 1.00 52.43 H new ATOM 0 HE2 MET A 36 2.275 -11.486 -0.305 1.00 52.43 H new ATOM 0 HE3 MET A 36 3.188 -12.311 0.981 1.00 52.43 H new ATOM 547 N GLY A 37 5.574 -11.430 -4.397 1.00 63.55 N ATOM 548 CA GLY A 37 4.796 -11.308 -5.625 1.00 11.14 C ATOM 549 C GLY A 37 3.399 -10.727 -5.412 1.00 31.10 C ATOM 550 O GLY A 37 2.470 -11.050 -6.148 1.00 4.20 O ATOM 0 H GLY A 37 6.341 -10.763 -4.312 1.00 63.55 H new ATOM 0 HA2 GLY A 37 5.339 -10.676 -6.328 1.00 11.14 H new ATOM 0 HA3 GLY A 37 4.704 -12.292 -6.086 1.00 11.14 H new ATOM 554 N ALA A 38 3.262 -9.839 -4.431 1.00 33.31 N ATOM 555 CA ALA A 38 1.962 -9.231 -4.098 1.00 2.42 C ATOM 556 C ALA A 38 1.648 -7.999 -4.972 1.00 22.11 C ATOM 557 O ALA A 38 0.812 -7.171 -4.618 1.00 51.51 O ATOM 558 CB ALA A 38 1.938 -8.849 -2.623 1.00 41.05 C ATOM 0 H ALA A 38 4.034 -9.519 -3.847 1.00 33.31 H new ATOM 0 HA ALA A 38 1.190 -9.972 -4.302 1.00 2.42 H new ATOM 0 HB1 ALA A 38 0.975 -8.399 -2.379 1.00 41.05 H new ATOM 0 HB2 ALA A 38 2.087 -9.741 -2.014 1.00 41.05 H new ATOM 0 HB3 ALA A 38 2.735 -8.133 -2.419 1.00 41.05 H new ATOM 564 N GLN A 39 2.304 -7.899 -6.127 1.00 1.54 N ATOM 565 CA GLN A 39 2.131 -6.749 -7.029 1.00 44.03 C ATOM 566 C GLN A 39 0.692 -6.645 -7.567 1.00 45.51 C ATOM 567 O GLN A 39 0.167 -5.546 -7.749 1.00 14.15 O ATOM 568 CB GLN A 39 3.128 -6.838 -8.197 1.00 54.44 C ATOM 569 CG GLN A 39 4.593 -6.815 -7.764 1.00 44.11 C ATOM 570 CD GLN A 39 4.976 -5.535 -7.037 1.00 64.31 C ATOM 571 OE1 GLN A 39 5.390 -4.557 -7.648 1.00 40.22 O ATOM 572 NE2 GLN A 39 4.839 -5.529 -5.726 1.00 3.14 N ATOM 0 H GLN A 39 2.963 -8.600 -6.466 1.00 1.54 H new ATOM 0 HA GLN A 39 2.328 -5.847 -6.450 1.00 44.03 H new ATOM 0 HB2 GLN A 39 2.939 -7.755 -8.754 1.00 54.44 H new ATOM 0 HB3 GLN A 39 2.948 -6.007 -8.879 1.00 54.44 H new ATOM 0 HG2 GLN A 39 4.788 -7.668 -7.114 1.00 44.11 H new ATOM 0 HG3 GLN A 39 5.228 -6.932 -8.642 1.00 44.11 H new ATOM 0 HE21 GLN A 39 4.492 -6.359 -5.246 1.00 3.14 H new ATOM 0 HE22 GLN A 39 5.080 -4.694 -5.192 1.00 3.14 H new ATOM 581 N ASN A 40 0.056 -7.792 -7.807 1.00 63.54 N ATOM 582 CA ASN A 40 -1.315 -7.823 -8.340 1.00 51.52 C ATOM 583 C ASN A 40 -2.358 -7.920 -7.211 1.00 35.51 C ATOM 584 O ASN A 40 -3.554 -8.059 -7.469 1.00 71.23 O ATOM 585 CB ASN A 40 -1.493 -9.013 -9.290 1.00 44.33 C ATOM 586 CG ASN A 40 -0.377 -9.121 -10.313 1.00 12.22 C ATOM 587 OD1 ASN A 40 -0.444 -8.546 -11.393 1.00 64.32 O ATOM 588 ND2 ASN A 40 0.650 -9.879 -9.987 1.00 43.00 N ATOM 0 H ASN A 40 0.463 -8.713 -7.643 1.00 63.54 H new ATOM 0 HA ASN A 40 -1.473 -6.891 -8.882 1.00 51.52 H new ATOM 0 HB2 ASN A 40 -1.536 -9.933 -8.708 1.00 44.33 H new ATOM 0 HB3 ASN A 40 -2.447 -8.919 -9.809 1.00 44.33 H new ATOM 0 HD21 ASN A 40 1.422 -10.002 -10.643 1.00 43.00 H new ATOM 0 HD22 ASN A 40 0.673 -10.343 -9.079 1.00 43.00 H new ATOM 595 N GLU A 41 -1.899 -7.845 -5.963 1.00 21.10 N ATOM 596 CA GLU A 41 -2.783 -8.003 -4.805 1.00 34.23 C ATOM 597 C GLU A 41 -3.196 -6.645 -4.212 1.00 25.04 C ATOM 598 O GLU A 41 -2.437 -5.672 -4.265 1.00 43.25 O ATOM 599 CB GLU A 41 -2.098 -8.879 -3.744 1.00 63.12 C ATOM 600 CG GLU A 41 -2.988 -9.213 -2.549 1.00 44.23 C ATOM 601 CD GLU A 41 -2.520 -10.443 -1.787 1.00 34.31 C ATOM 602 OE1 GLU A 41 -2.789 -11.572 -2.261 1.00 14.23 O ATOM 603 OE2 GLU A 41 -1.878 -10.295 -0.730 1.00 31.03 O ATOM 0 H GLU A 41 -0.921 -7.676 -5.726 1.00 21.10 H new ATOM 0 HA GLU A 41 -3.696 -8.495 -5.139 1.00 34.23 H new ATOM 0 HB2 GLU A 41 -1.769 -9.808 -4.211 1.00 63.12 H new ATOM 0 HB3 GLU A 41 -1.204 -8.368 -3.387 1.00 63.12 H new ATOM 0 HG2 GLU A 41 -3.013 -8.360 -1.871 1.00 44.23 H new ATOM 0 HG3 GLU A 41 -4.009 -9.374 -2.896 1.00 44.23 H new ATOM 610 N SER A 42 -4.407 -6.589 -3.659 1.00 13.10 N ATOM 611 CA SER A 42 -4.959 -5.345 -3.101 1.00 42.42 C ATOM 612 C SER A 42 -4.260 -4.946 -1.794 1.00 35.21 C ATOM 613 O SER A 42 -3.725 -5.797 -1.075 1.00 14.41 O ATOM 614 CB SER A 42 -6.462 -5.495 -2.848 1.00 21.04 C ATOM 615 OG SER A 42 -6.719 -6.470 -1.851 1.00 31.42 O ATOM 0 H SER A 42 -5.031 -7.392 -3.583 1.00 13.10 H new ATOM 0 HA SER A 42 -4.785 -4.558 -3.835 1.00 42.42 H new ATOM 0 HB2 SER A 42 -6.879 -4.536 -2.539 1.00 21.04 H new ATOM 0 HB3 SER A 42 -6.963 -5.777 -3.774 1.00 21.04 H new ATOM 0 HG SER A 42 -7.686 -6.545 -1.708 1.00 31.42 H new ATOM 621 N LEU A 43 -4.285 -3.649 -1.489 1.00 12.32 N ATOM 622 CA LEU A 43 -3.624 -3.109 -0.294 1.00 21.43 C ATOM 623 C LEU A 43 -4.034 -3.836 1.001 1.00 10.23 C ATOM 624 O LEU A 43 -3.180 -4.199 1.810 1.00 70.00 O ATOM 625 CB LEU A 43 -3.920 -1.607 -0.162 1.00 71.51 C ATOM 626 CG LEU A 43 -3.325 -0.719 -1.269 1.00 33.13 C ATOM 627 CD1 LEU A 43 -3.743 0.736 -1.082 1.00 35.31 C ATOM 628 CD2 LEU A 43 -1.802 -0.839 -1.297 1.00 13.53 C ATOM 0 H LEU A 43 -4.759 -2.946 -2.056 1.00 12.32 H new ATOM 0 HA LEU A 43 -2.554 -3.271 -0.427 1.00 21.43 H new ATOM 0 HB2 LEU A 43 -5.001 -1.466 -0.148 1.00 71.51 H new ATOM 0 HB3 LEU A 43 -3.541 -1.262 0.800 1.00 71.51 H new ATOM 0 HG LEU A 43 -3.715 -1.066 -2.226 1.00 33.13 H new ATOM 0 HD11 LEU A 43 -3.310 1.344 -1.876 1.00 35.31 H new ATOM 0 HD12 LEU A 43 -4.830 0.810 -1.120 1.00 35.31 H new ATOM 0 HD13 LEU A 43 -3.388 1.095 -0.116 1.00 35.31 H new ATOM 0 HD21 LEU A 43 -1.401 -0.203 -2.087 1.00 13.53 H new ATOM 0 HD22 LEU A 43 -1.395 -0.524 -0.336 1.00 13.53 H new ATOM 0 HD23 LEU A 43 -1.522 -1.875 -1.488 1.00 13.53 H new ATOM 640 N GLU A 44 -5.337 -4.054 1.195 1.00 24.25 N ATOM 641 CA GLU A 44 -5.827 -4.665 2.440 1.00 54.13 C ATOM 642 C GLU A 44 -5.342 -6.112 2.604 1.00 13.42 C ATOM 643 O GLU A 44 -4.899 -6.507 3.687 1.00 42.41 O ATOM 644 CB GLU A 44 -7.360 -4.620 2.520 1.00 23.43 C ATOM 645 CG GLU A 44 -7.912 -5.256 3.796 1.00 63.43 C ATOM 646 CD GLU A 44 -9.408 -5.062 3.970 1.00 70.24 C ATOM 647 OE1 GLU A 44 -10.185 -5.742 3.271 1.00 63.45 O ATOM 648 OE2 GLU A 44 -9.816 -4.236 4.814 1.00 41.23 O ATOM 0 H GLU A 44 -6.065 -3.822 0.519 1.00 24.25 H new ATOM 0 HA GLU A 44 -5.412 -4.074 3.256 1.00 54.13 H new ATOM 0 HB2 GLU A 44 -7.691 -3.583 2.466 1.00 23.43 H new ATOM 0 HB3 GLU A 44 -7.778 -5.134 1.655 1.00 23.43 H new ATOM 0 HG2 GLU A 44 -7.691 -6.323 3.786 1.00 63.43 H new ATOM 0 HG3 GLU A 44 -7.396 -4.831 4.657 1.00 63.43 H new ATOM 655 N GLN A 45 -5.421 -6.901 1.533 1.00 42.53 N ATOM 656 CA GLN A 45 -4.996 -8.303 1.582 1.00 34.34 C ATOM 657 C GLN A 45 -3.518 -8.421 1.994 1.00 24.34 C ATOM 658 O GLN A 45 -3.188 -9.127 2.951 1.00 21.51 O ATOM 659 CB GLN A 45 -5.236 -8.983 0.228 1.00 22.13 C ATOM 660 CG GLN A 45 -6.715 -9.120 -0.133 1.00 54.44 C ATOM 661 CD GLN A 45 -6.946 -9.763 -1.492 1.00 53.13 C ATOM 662 OE1 GLN A 45 -6.147 -10.566 -1.965 1.00 23.55 O ATOM 663 NE2 GLN A 45 -8.041 -9.416 -2.137 1.00 62.51 N ATOM 0 H GLN A 45 -5.773 -6.597 0.625 1.00 42.53 H new ATOM 0 HA GLN A 45 -5.595 -8.812 2.337 1.00 34.34 H new ATOM 0 HB2 GLN A 45 -4.732 -8.411 -0.551 1.00 22.13 H new ATOM 0 HB3 GLN A 45 -4.781 -9.973 0.242 1.00 22.13 H new ATOM 0 HG2 GLN A 45 -7.215 -9.714 0.632 1.00 54.44 H new ATOM 0 HG3 GLN A 45 -7.177 -8.133 -0.123 1.00 54.44 H new ATOM 0 HE21 GLN A 45 -8.688 -8.746 -1.720 1.00 62.51 H new ATOM 0 HE22 GLN A 45 -8.242 -9.817 -3.053 1.00 62.51 H new ATOM 672 N GLY A 46 -2.639 -7.705 1.289 1.00 74.42 N ATOM 673 CA GLY A 46 -1.217 -7.707 1.629 1.00 45.14 C ATOM 674 C GLY A 46 -0.927 -7.123 3.014 1.00 61.51 C ATOM 675 O GLY A 46 -0.047 -7.609 3.731 1.00 64.45 O ATOM 0 H GLY A 46 -2.884 -7.123 0.488 1.00 74.42 H new ATOM 0 HA2 GLY A 46 -0.842 -8.729 1.587 1.00 45.14 H new ATOM 0 HA3 GLY A 46 -0.670 -7.136 0.879 1.00 45.14 H new ATOM 679 N ALA A 47 -1.667 -6.079 3.392 1.00 13.33 N ATOM 680 CA ALA A 47 -1.510 -5.453 4.711 1.00 24.45 C ATOM 681 C ALA A 47 -1.781 -6.453 5.847 1.00 2.22 C ATOM 682 O ALA A 47 -0.929 -6.675 6.711 1.00 14.40 O ATOM 683 CB ALA A 47 -2.429 -4.243 4.840 1.00 13.24 C ATOM 0 H ALA A 47 -2.381 -5.648 2.805 1.00 13.33 H new ATOM 0 HA ALA A 47 -0.475 -5.122 4.798 1.00 24.45 H new ATOM 0 HB1 ALA A 47 -2.300 -3.791 5.824 1.00 13.24 H new ATOM 0 HB2 ALA A 47 -2.180 -3.513 4.070 1.00 13.24 H new ATOM 0 HB3 ALA A 47 -3.465 -4.559 4.719 1.00 13.24 H new ATOM 689 N ASN A 48 -2.966 -7.063 5.836 1.00 31.41 N ATOM 690 CA ASN A 48 -3.329 -8.069 6.844 1.00 53.13 C ATOM 691 C ASN A 48 -2.400 -9.292 6.782 1.00 43.12 C ATOM 692 O ASN A 48 -2.129 -9.926 7.801 1.00 1.11 O ATOM 693 CB ASN A 48 -4.793 -8.496 6.684 1.00 31.43 C ATOM 694 CG ASN A 48 -5.756 -7.412 7.139 1.00 61.25 C ATOM 695 OD1 ASN A 48 -6.144 -7.359 8.301 1.00 41.41 O ATOM 696 ND2 ASN A 48 -6.149 -6.540 6.235 1.00 63.10 N ATOM 0 H ASN A 48 -3.692 -6.881 5.143 1.00 31.41 H new ATOM 0 HA ASN A 48 -3.207 -7.609 7.825 1.00 53.13 H new ATOM 0 HB2 ASN A 48 -4.988 -8.738 5.639 1.00 31.43 H new ATOM 0 HB3 ASN A 48 -4.971 -9.404 7.260 1.00 31.43 H new ATOM 0 HD21 ASN A 48 -6.794 -5.793 6.493 1.00 63.10 H new ATOM 0 HD22 ASN A 48 -5.808 -6.611 5.276 1.00 63.10 H new ATOM 703 N ALA A 49 -1.904 -9.612 5.585 1.00 11.24 N ATOM 704 CA ALA A 49 -0.919 -10.689 5.425 1.00 74.20 C ATOM 705 C ALA A 49 0.389 -10.368 6.173 1.00 21.41 C ATOM 706 O ALA A 49 1.130 -11.268 6.571 1.00 23.44 O ATOM 707 CB ALA A 49 -0.642 -10.935 3.946 1.00 44.34 C ATOM 0 H ALA A 49 -2.165 -9.146 4.716 1.00 11.24 H new ATOM 0 HA ALA A 49 -1.337 -11.596 5.861 1.00 74.20 H new ATOM 0 HB1 ALA A 49 0.090 -11.736 3.841 1.00 44.34 H new ATOM 0 HB2 ALA A 49 -1.567 -11.221 3.445 1.00 44.34 H new ATOM 0 HB3 ALA A 49 -0.251 -10.024 3.493 1.00 44.34 H new ATOM 713 N HIS A 50 0.668 -9.075 6.348 1.00 33.44 N ATOM 714 CA HIS A 50 1.840 -8.614 7.111 1.00 23.41 C ATOM 715 C HIS A 50 1.448 -8.149 8.527 1.00 51.05 C ATOM 716 O HIS A 50 2.257 -7.548 9.238 1.00 15.53 O ATOM 717 CB HIS A 50 2.535 -7.465 6.368 1.00 23.41 C ATOM 718 CG HIS A 50 3.266 -7.888 5.128 1.00 71.41 C ATOM 719 ND1 HIS A 50 4.487 -7.367 4.773 1.00 20.43 N ATOM 720 CD2 HIS A 50 2.944 -8.773 4.153 1.00 72.13 C ATOM 721 CE1 HIS A 50 4.886 -7.907 3.643 1.00 54.13 C ATOM 722 NE2 HIS A 50 3.972 -8.765 3.241 1.00 25.24 N ATOM 0 H HIS A 50 0.096 -8.320 5.970 1.00 33.44 H new ATOM 0 HA HIS A 50 2.524 -9.458 7.207 1.00 23.41 H new ATOM 0 HB2 HIS A 50 1.789 -6.717 6.099 1.00 23.41 H new ATOM 0 HB3 HIS A 50 3.240 -6.983 7.045 1.00 23.41 H new ATOM 0 HD1 HIS A 50 5.005 -6.668 5.305 1.00 20.43 H new ATOM 0 HD2 HIS A 50 2.047 -9.372 4.102 1.00 72.13 H new ATOM 0 HE1 HIS A 50 5.810 -7.684 3.130 1.00 54.13 H new ATOM 0 HE2 HIS A 50 4.019 -9.330 2.393 1.00 25.24 H new ATOM 731 N GLY A 51 0.210 -8.437 8.930 1.00 53.53 N ATOM 732 CA GLY A 51 -0.278 -8.021 10.244 1.00 23.30 C ATOM 733 C GLY A 51 -0.347 -6.503 10.408 1.00 31.33 C ATOM 734 O GLY A 51 0.204 -5.946 11.366 1.00 3.22 O ATOM 0 H GLY A 51 -0.468 -8.953 8.370 1.00 53.53 H new ATOM 0 HA2 GLY A 51 -1.270 -8.443 10.406 1.00 23.30 H new ATOM 0 HA3 GLY A 51 0.374 -8.434 11.014 1.00 23.30 H new ATOM 738 N LEU A 52 -1.020 -5.834 9.473 1.00 62.41 N ATOM 739 CA LEU A 52 -1.132 -4.368 9.488 1.00 34.44 C ATOM 740 C LEU A 52 -2.595 -3.903 9.418 1.00 2.24 C ATOM 741 O LEU A 52 -3.493 -4.670 9.058 1.00 71.52 O ATOM 742 CB LEU A 52 -0.356 -3.776 8.304 1.00 71.13 C ATOM 743 CG LEU A 52 1.130 -4.156 8.232 1.00 62.23 C ATOM 744 CD1 LEU A 52 1.760 -3.597 6.963 1.00 24.53 C ATOM 745 CD2 LEU A 52 1.873 -3.657 9.465 1.00 23.33 C ATOM 0 H LEU A 52 -1.499 -6.281 8.691 1.00 62.41 H new ATOM 0 HA LEU A 52 -0.711 -4.017 10.430 1.00 34.44 H new ATOM 0 HB2 LEU A 52 -0.839 -4.093 7.380 1.00 71.13 H new ATOM 0 HB3 LEU A 52 -0.434 -2.690 8.348 1.00 71.13 H new ATOM 0 HG LEU A 52 1.207 -5.243 8.205 1.00 62.23 H new ATOM 0 HD11 LEU A 52 2.813 -3.875 6.927 1.00 24.53 H new ATOM 0 HD12 LEU A 52 1.247 -4.005 6.092 1.00 24.53 H new ATOM 0 HD13 LEU A 52 1.671 -2.511 6.961 1.00 24.53 H new ATOM 0 HD21 LEU A 52 2.924 -3.937 9.394 1.00 23.33 H new ATOM 0 HD22 LEU A 52 1.789 -2.572 9.526 1.00 23.33 H new ATOM 0 HD23 LEU A 52 1.438 -4.105 10.358 1.00 23.33 H new ATOM 757 N ASN A 53 -2.820 -2.636 9.755 1.00 24.51 N ATOM 758 CA ASN A 53 -4.146 -2.021 9.656 1.00 53.23 C ATOM 759 C ASN A 53 -4.245 -1.154 8.390 1.00 31.00 C ATOM 760 O ASN A 53 -3.767 -0.017 8.366 1.00 30.21 O ATOM 761 CB ASN A 53 -4.429 -1.172 10.904 1.00 24.45 C ATOM 762 CG ASN A 53 -5.789 -0.500 10.860 1.00 72.23 C ATOM 763 OD1 ASN A 53 -6.733 -1.010 10.269 1.00 3.32 O ATOM 764 ND2 ASN A 53 -5.900 0.657 11.478 1.00 2.31 N ATOM 0 H ASN A 53 -2.095 -2.008 10.103 1.00 24.51 H new ATOM 0 HA ASN A 53 -4.892 -2.813 9.591 1.00 53.23 H new ATOM 0 HB2 ASN A 53 -4.369 -1.805 11.790 1.00 24.45 H new ATOM 0 HB3 ASN A 53 -3.655 -0.411 11.003 1.00 24.45 H new ATOM 0 HD21 ASN A 53 -6.791 1.154 11.473 1.00 2.31 H new ATOM 0 HD22 ASN A 53 -5.096 1.056 11.962 1.00 2.31 H new ATOM 771 N VAL A 54 -4.867 -1.695 7.344 1.00 3.12 N ATOM 772 CA VAL A 54 -4.963 -1.004 6.051 1.00 13.35 C ATOM 773 C VAL A 54 -5.649 0.369 6.175 1.00 2.33 C ATOM 774 O VAL A 54 -5.327 1.292 5.433 1.00 52.34 O ATOM 775 CB VAL A 54 -5.718 -1.865 5.005 1.00 20.42 C ATOM 776 CG1 VAL A 54 -7.168 -2.088 5.424 1.00 73.53 C ATOM 777 CG2 VAL A 54 -5.640 -1.227 3.616 1.00 24.33 C ATOM 0 H VAL A 54 -5.314 -2.612 7.363 1.00 3.12 H new ATOM 0 HA VAL A 54 -3.939 -0.846 5.713 1.00 13.35 H new ATOM 0 HB VAL A 54 -5.231 -2.839 4.956 1.00 20.42 H new ATOM 0 HG11 VAL A 54 -7.675 -2.695 4.673 1.00 73.53 H new ATOM 0 HG12 VAL A 54 -7.194 -2.603 6.384 1.00 73.53 H new ATOM 0 HG13 VAL A 54 -7.673 -1.126 5.514 1.00 73.53 H new ATOM 0 HG21 VAL A 54 -6.177 -1.849 2.899 1.00 24.33 H new ATOM 0 HG22 VAL A 54 -6.091 -0.235 3.645 1.00 24.33 H new ATOM 0 HG23 VAL A 54 -4.596 -1.142 3.313 1.00 24.33 H new ATOM 787 N GLU A 55 -6.579 0.496 7.122 1.00 14.11 N ATOM 788 CA GLU A 55 -7.307 1.756 7.339 1.00 72.32 C ATOM 789 C GLU A 55 -6.338 2.922 7.592 1.00 55.33 C ATOM 790 O GLU A 55 -6.469 4.001 7.007 1.00 75.13 O ATOM 791 CB GLU A 55 -8.271 1.618 8.527 1.00 20.32 C ATOM 792 CG GLU A 55 -9.226 0.427 8.431 1.00 3.22 C ATOM 793 CD GLU A 55 -10.071 0.433 7.160 1.00 50.21 C ATOM 794 OE1 GLU A 55 -10.912 1.343 7.001 1.00 22.34 O ATOM 795 OE2 GLU A 55 -9.912 -0.484 6.329 1.00 1.22 O ATOM 0 H GLU A 55 -6.849 -0.257 7.754 1.00 14.11 H new ATOM 0 HA GLU A 55 -7.876 1.971 6.435 1.00 72.32 H new ATOM 0 HB2 GLU A 55 -7.688 1.528 9.444 1.00 20.32 H new ATOM 0 HB3 GLU A 55 -8.858 2.533 8.611 1.00 20.32 H new ATOM 0 HG2 GLU A 55 -8.649 -0.497 8.471 1.00 3.22 H new ATOM 0 HG3 GLU A 55 -9.886 0.429 9.298 1.00 3.22 H new ATOM 802 N ASP A 56 -5.356 2.684 8.461 1.00 44.13 N ATOM 803 CA ASP A 56 -4.349 3.694 8.794 1.00 21.32 C ATOM 804 C ASP A 56 -3.411 3.942 7.601 1.00 51.32 C ATOM 805 O ASP A 56 -3.028 5.080 7.323 1.00 13.43 O ATOM 806 CB ASP A 56 -3.547 3.253 10.029 1.00 43.52 C ATOM 807 CG ASP A 56 -2.578 4.320 10.504 1.00 3.30 C ATOM 808 OD1 ASP A 56 -3.040 5.388 10.953 1.00 71.23 O ATOM 809 OD2 ASP A 56 -1.350 4.111 10.420 1.00 42.11 O ATOM 0 H ASP A 56 -5.235 1.797 8.950 1.00 44.13 H new ATOM 0 HA ASP A 56 -4.859 4.630 9.023 1.00 21.32 H new ATOM 0 HB2 ASP A 56 -4.236 3.007 10.837 1.00 43.52 H new ATOM 0 HB3 ASP A 56 -2.994 2.344 9.794 1.00 43.52 H new ATOM 814 N ILE A 57 -3.060 2.867 6.894 1.00 61.45 N ATOM 815 CA ILE A 57 -2.218 2.966 5.699 1.00 21.50 C ATOM 816 C ILE A 57 -2.881 3.848 4.625 1.00 74.34 C ATOM 817 O ILE A 57 -2.245 4.735 4.058 1.00 40.13 O ATOM 818 CB ILE A 57 -1.916 1.565 5.107 1.00 54.41 C ATOM 819 CG1 ILE A 57 -1.248 0.666 6.164 1.00 53.11 C ATOM 820 CG2 ILE A 57 -1.037 1.677 3.859 1.00 41.02 C ATOM 821 CD1 ILE A 57 -0.975 -0.746 5.684 1.00 53.45 C ATOM 0 H ILE A 57 -3.346 1.916 7.128 1.00 61.45 H new ATOM 0 HA ILE A 57 -1.279 3.427 6.005 1.00 21.50 H new ATOM 0 HB ILE A 57 -2.861 1.108 4.813 1.00 54.41 H new ATOM 0 HG12 ILE A 57 -0.308 1.122 6.473 1.00 53.11 H new ATOM 0 HG13 ILE A 57 -1.887 0.623 7.046 1.00 53.11 H new ATOM 0 HG21 ILE A 57 -0.839 0.681 3.463 1.00 41.02 H new ATOM 0 HG22 ILE A 57 -1.551 2.273 3.104 1.00 41.02 H new ATOM 0 HG23 ILE A 57 -0.094 2.157 4.120 1.00 41.02 H new ATOM 0 HD11 ILE A 57 -0.504 -1.317 6.484 1.00 53.45 H new ATOM 0 HD12 ILE A 57 -1.914 -1.222 5.402 1.00 53.45 H new ATOM 0 HD13 ILE A 57 -0.310 -0.715 4.821 1.00 53.45 H new ATOM 833 N LEU A 58 -4.170 3.606 4.367 1.00 11.32 N ATOM 834 CA LEU A 58 -4.936 4.401 3.393 1.00 13.12 C ATOM 835 C LEU A 58 -4.885 5.893 3.737 1.00 42.11 C ATOM 836 O LEU A 58 -4.721 6.738 2.855 1.00 52.53 O ATOM 837 CB LEU A 58 -6.397 3.928 3.340 1.00 74.54 C ATOM 838 CG LEU A 58 -6.603 2.479 2.870 1.00 74.33 C ATOM 839 CD1 LEU A 58 -8.087 2.123 2.858 1.00 70.22 C ATOM 840 CD2 LEU A 58 -5.987 2.259 1.492 1.00 34.41 C ATOM 0 H LEU A 58 -4.708 2.866 4.818 1.00 11.32 H new ATOM 0 HA LEU A 58 -4.479 4.256 2.414 1.00 13.12 H new ATOM 0 HB2 LEU A 58 -6.832 4.035 4.333 1.00 74.54 H new ATOM 0 HB3 LEU A 58 -6.952 4.590 2.675 1.00 74.54 H new ATOM 0 HG LEU A 58 -6.097 1.820 3.576 1.00 74.33 H new ATOM 0 HD11 LEU A 58 -8.211 1.093 2.522 1.00 70.22 H new ATOM 0 HD12 LEU A 58 -8.495 2.229 3.863 1.00 70.22 H new ATOM 0 HD13 LEU A 58 -8.616 2.792 2.180 1.00 70.22 H new ATOM 0 HD21 LEU A 58 -6.147 1.226 1.183 1.00 34.41 H new ATOM 0 HD22 LEU A 58 -6.456 2.930 0.772 1.00 34.41 H new ATOM 0 HD23 LEU A 58 -4.917 2.464 1.535 1.00 34.41 H new ATOM 852 N ARG A 59 -5.032 6.202 5.022 1.00 20.15 N ATOM 853 CA ARG A 59 -4.888 7.575 5.516 1.00 54.24 C ATOM 854 C ARG A 59 -3.553 8.190 5.063 1.00 70.41 C ATOM 855 O ARG A 59 -3.524 9.251 4.436 1.00 75.53 O ATOM 856 CB ARG A 59 -4.965 7.590 7.053 1.00 40.11 C ATOM 857 CG ARG A 59 -4.581 8.930 7.681 1.00 61.22 C ATOM 858 CD ARG A 59 -4.209 8.784 9.155 1.00 52.03 C ATOM 859 NE ARG A 59 -3.198 7.745 9.359 1.00 32.33 N ATOM 860 CZ ARG A 59 -1.950 7.831 8.970 1.00 23.51 C ATOM 861 NH1 ARG A 59 -1.493 8.908 8.415 1.00 65.21 N ATOM 862 NH2 ARG A 59 -1.157 6.830 9.148 1.00 64.12 N ATOM 0 H ARG A 59 -5.252 5.519 5.747 1.00 20.15 H new ATOM 0 HA ARG A 59 -5.701 8.170 5.101 1.00 54.24 H new ATOM 0 HB2 ARG A 59 -5.980 7.335 7.358 1.00 40.11 H new ATOM 0 HB3 ARG A 59 -4.309 6.814 7.447 1.00 40.11 H new ATOM 0 HG2 ARG A 59 -3.740 9.359 7.135 1.00 61.22 H new ATOM 0 HG3 ARG A 59 -5.413 9.628 7.584 1.00 61.22 H new ATOM 0 HD2 ARG A 59 -3.834 9.736 9.531 1.00 52.03 H new ATOM 0 HD3 ARG A 59 -5.101 8.542 9.733 1.00 52.03 H new ATOM 0 HE ARG A 59 -3.486 6.892 9.839 1.00 32.33 H new ATOM 0 HH11 ARG A 59 -2.108 9.709 8.274 1.00 65.21 H new ATOM 0 HH12 ARG A 59 -0.518 8.955 8.119 1.00 65.21 H new ATOM 0 HH21 ARG A 59 -1.503 5.978 9.589 1.00 64.12 H new ATOM 0 HH22 ARG A 59 -0.184 6.890 8.847 1.00 64.12 H new ATOM 876 N ASP A 60 -2.452 7.504 5.376 1.00 50.00 N ATOM 877 CA ASP A 60 -1.106 8.008 5.082 1.00 72.40 C ATOM 878 C ASP A 60 -0.858 8.087 3.558 1.00 23.12 C ATOM 879 O ASP A 60 -0.149 8.975 3.076 1.00 35.12 O ATOM 880 CB ASP A 60 -0.062 7.112 5.769 1.00 31.53 C ATOM 881 CG ASP A 60 1.151 7.892 6.248 1.00 42.33 C ATOM 882 OD1 ASP A 60 1.061 8.527 7.325 1.00 33.24 O ATOM 883 OD2 ASP A 60 2.192 7.884 5.562 1.00 10.41 O ATOM 0 H ASP A 60 -2.465 6.593 5.835 1.00 50.00 H new ATOM 0 HA ASP A 60 -1.015 9.021 5.474 1.00 72.40 H new ATOM 0 HB2 ASP A 60 -0.524 6.607 6.618 1.00 31.53 H new ATOM 0 HB3 ASP A 60 0.260 6.337 5.074 1.00 31.53 H new ATOM 888 N LEU A 61 -1.463 7.160 2.807 1.00 35.43 N ATOM 889 CA LEU A 61 -1.352 7.143 1.341 1.00 64.01 C ATOM 890 C LEU A 61 -2.054 8.352 0.700 1.00 64.34 C ATOM 891 O LEU A 61 -1.467 9.055 -0.124 1.00 65.30 O ATOM 892 CB LEU A 61 -1.932 5.842 0.768 1.00 41.01 C ATOM 893 CG LEU A 61 -1.180 4.558 1.150 1.00 51.23 C ATOM 894 CD1 LEU A 61 -1.848 3.336 0.523 1.00 1.14 C ATOM 895 CD2 LEU A 61 0.289 4.646 0.736 1.00 74.33 C ATOM 0 H LEU A 61 -2.037 6.409 3.190 1.00 35.43 H new ATOM 0 HA LEU A 61 -0.291 7.201 1.099 1.00 64.01 H new ATOM 0 HB2 LEU A 61 -2.966 5.749 1.099 1.00 41.01 H new ATOM 0 HB3 LEU A 61 -1.952 5.921 -0.319 1.00 41.01 H new ATOM 0 HG LEU A 61 -1.220 4.449 2.234 1.00 51.23 H new ATOM 0 HD11 LEU A 61 -1.300 2.437 0.806 1.00 1.14 H new ATOM 0 HD12 LEU A 61 -2.876 3.261 0.878 1.00 1.14 H new ATOM 0 HD13 LEU A 61 -1.845 3.437 -0.562 1.00 1.14 H new ATOM 0 HD21 LEU A 61 0.802 3.726 1.016 1.00 74.33 H new ATOM 0 HD22 LEU A 61 0.355 4.784 -0.343 1.00 74.33 H new ATOM 0 HD23 LEU A 61 0.759 5.491 1.239 1.00 74.33 H new ATOM 907 N ASN A 62 -3.313 8.590 1.071 1.00 30.24 N ATOM 908 CA ASN A 62 -4.060 9.746 0.549 1.00 23.53 C ATOM 909 C ASN A 62 -3.478 11.066 1.079 1.00 41.45 C ATOM 910 O ASN A 62 -3.568 12.108 0.423 1.00 72.43 O ATOM 911 CB ASN A 62 -5.553 9.639 0.894 1.00 14.24 C ATOM 912 CG ASN A 62 -6.249 8.538 0.115 1.00 41.30 C ATOM 913 OD1 ASN A 62 -6.744 8.755 -0.985 1.00 31.11 O ATOM 914 ND2 ASN A 62 -6.305 7.346 0.675 1.00 4.34 N ATOM 0 H ASN A 62 -3.837 8.007 1.724 1.00 30.24 H new ATOM 0 HA ASN A 62 -3.959 9.741 -0.536 1.00 23.53 H new ATOM 0 HB2 ASN A 62 -5.664 9.451 1.962 1.00 14.24 H new ATOM 0 HB3 ASN A 62 -6.040 10.592 0.686 1.00 14.24 H new ATOM 0 HD21 ASN A 62 -6.769 6.577 0.192 1.00 4.34 H new ATOM 0 HD22 ASN A 62 -5.885 7.193 1.592 1.00 4.34 H new ATOM 921 N ALA A 63 -2.866 11.007 2.260 1.00 22.03 N ATOM 922 CA ALA A 63 -2.179 12.165 2.848 1.00 51.23 C ATOM 923 C ALA A 63 -1.114 12.737 1.896 1.00 35.14 C ATOM 924 O ALA A 63 -0.824 13.935 1.917 1.00 22.54 O ATOM 925 CB ALA A 63 -1.544 11.770 4.176 1.00 42.12 C ATOM 0 H ALA A 63 -2.830 10.165 2.835 1.00 22.03 H new ATOM 0 HA ALA A 63 -2.920 12.946 3.019 1.00 51.23 H new ATOM 0 HB1 ALA A 63 -1.036 12.633 4.607 1.00 42.12 H new ATOM 0 HB2 ALA A 63 -2.318 11.425 4.861 1.00 42.12 H new ATOM 0 HB3 ALA A 63 -0.823 10.970 4.011 1.00 42.12 H new ATOM 931 N LEU A 64 -0.544 11.868 1.060 1.00 55.03 N ATOM 932 CA LEU A 64 0.450 12.275 0.054 1.00 41.51 C ATOM 933 C LEU A 64 -0.144 13.242 -0.987 1.00 4.31 C ATOM 934 O LEU A 64 0.579 14.006 -1.623 1.00 30.20 O ATOM 935 CB LEU A 64 1.005 11.035 -0.662 1.00 11.35 C ATOM 936 CG LEU A 64 1.724 10.016 0.239 1.00 11.23 C ATOM 937 CD1 LEU A 64 2.097 8.764 -0.549 1.00 73.34 C ATOM 938 CD2 LEU A 64 2.966 10.641 0.872 1.00 12.21 C ATOM 0 H LEU A 64 -0.753 10.870 1.057 1.00 55.03 H new ATOM 0 HA LEU A 64 1.250 12.797 0.579 1.00 41.51 H new ATOM 0 HB2 LEU A 64 0.182 10.530 -1.167 1.00 11.35 H new ATOM 0 HB3 LEU A 64 1.700 11.364 -1.435 1.00 11.35 H new ATOM 0 HG LEU A 64 1.040 9.725 1.036 1.00 11.23 H new ATOM 0 HD11 LEU A 64 2.604 8.058 0.108 1.00 73.34 H new ATOM 0 HD12 LEU A 64 1.194 8.303 -0.949 1.00 73.34 H new ATOM 0 HD13 LEU A 64 2.760 9.035 -1.371 1.00 73.34 H new ATOM 0 HD21 LEU A 64 3.461 9.905 1.506 1.00 12.21 H new ATOM 0 HD22 LEU A 64 3.651 10.964 0.088 1.00 12.21 H new ATOM 0 HD23 LEU A 64 2.674 11.501 1.475 1.00 12.21 H new ATOM 950 N ALA A 65 -1.464 13.186 -1.169 1.00 33.10 N ATOM 951 CA ALA A 65 -2.162 14.066 -2.118 1.00 51.12 C ATOM 952 C ALA A 65 -2.876 15.229 -1.406 1.00 20.41 C ATOM 953 O ALA A 65 -3.079 16.296 -1.987 1.00 2.34 O ATOM 954 CB ALA A 65 -3.160 13.255 -2.942 1.00 23.43 C ATOM 0 H ALA A 65 -2.076 12.539 -0.672 1.00 33.10 H new ATOM 0 HA ALA A 65 -1.414 14.501 -2.780 1.00 51.12 H new ATOM 0 HB1 ALA A 65 -3.673 13.913 -3.643 1.00 23.43 H new ATOM 0 HB2 ALA A 65 -2.630 12.479 -3.495 1.00 23.43 H new ATOM 0 HB3 ALA A 65 -3.890 12.793 -2.277 1.00 23.43 H new ATOM 960 N LEU A 66 -3.264 15.013 -0.149 1.00 73.04 N ATOM 961 CA LEU A 66 -3.975 16.037 0.637 1.00 13.01 C ATOM 962 C LEU A 66 -3.014 17.074 1.243 1.00 32.21 C ATOM 963 O LEU A 66 -3.436 18.167 1.635 1.00 13.20 O ATOM 964 CB LEU A 66 -4.791 15.369 1.756 1.00 23.21 C ATOM 965 CG LEU A 66 -5.878 14.389 1.284 1.00 12.14 C ATOM 966 CD1 LEU A 66 -6.580 13.744 2.477 1.00 52.11 C ATOM 967 CD2 LEU A 66 -6.883 15.099 0.378 1.00 2.03 C ATOM 0 H LEU A 66 -3.101 14.140 0.352 1.00 73.04 H new ATOM 0 HA LEU A 66 -4.643 16.564 -0.044 1.00 13.01 H new ATOM 0 HB2 LEU A 66 -4.105 14.835 2.414 1.00 23.21 H new ATOM 0 HB3 LEU A 66 -5.263 16.149 2.353 1.00 23.21 H new ATOM 0 HG LEU A 66 -5.400 13.597 0.707 1.00 12.14 H new ATOM 0 HD11 LEU A 66 -7.345 13.055 2.120 1.00 52.11 H new ATOM 0 HD12 LEU A 66 -5.851 13.199 3.077 1.00 52.11 H new ATOM 0 HD13 LEU A 66 -7.046 14.518 3.087 1.00 52.11 H new ATOM 0 HD21 LEU A 66 -7.645 14.390 0.054 1.00 2.03 H new ATOM 0 HD22 LEU A 66 -7.356 15.914 0.927 1.00 2.03 H new ATOM 0 HD23 LEU A 66 -6.367 15.501 -0.494 1.00 2.03 H new ATOM 979 N GLU A 67 -1.728 16.722 1.318 1.00 31.44 N ATOM 980 CA GLU A 67 -0.692 17.604 1.882 1.00 5.32 C ATOM 981 C GLU A 67 -0.862 17.800 3.402 1.00 51.22 C ATOM 982 O GLU A 67 -0.152 17.188 4.200 1.00 31.11 O ATOM 983 CB GLU A 67 -0.683 18.980 1.182 1.00 21.22 C ATOM 984 CG GLU A 67 -0.362 18.934 -0.309 1.00 24.51 C ATOM 985 CD GLU A 67 -0.423 20.310 -0.957 1.00 13.45 C ATOM 986 OE1 GLU A 67 0.612 21.011 -0.984 1.00 14.41 O ATOM 987 OE2 GLU A 67 -1.515 20.705 -1.431 1.00 12.01 O ATOM 0 H GLU A 67 -1.372 15.823 0.992 1.00 31.44 H new ATOM 0 HA GLU A 67 0.263 17.108 1.705 1.00 5.32 H new ATOM 0 HB2 GLU A 67 -1.659 19.447 1.316 1.00 21.22 H new ATOM 0 HB3 GLU A 67 0.047 19.620 1.678 1.00 21.22 H new ATOM 0 HG2 GLU A 67 0.633 18.512 -0.451 1.00 24.51 H new ATOM 0 HG3 GLU A 67 -1.065 18.268 -0.809 1.00 24.51 H new ATOM 994 N HIS A 68 -1.809 18.669 3.784 1.00 5.24 N ATOM 995 CA HIS A 68 -2.054 19.086 5.188 1.00 32.32 C ATOM 996 C HIS A 68 -0.762 19.332 6.020 1.00 72.21 C ATOM 997 O HIS A 68 -0.809 19.413 7.249 1.00 73.45 O ATOM 998 CB HIS A 68 -3.031 18.130 5.909 1.00 63.44 C ATOM 999 CG HIS A 68 -2.566 16.714 6.093 1.00 44.35 C ATOM 1000 ND1 HIS A 68 -2.184 16.202 7.311 1.00 32.32 N ATOM 1001 CD2 HIS A 68 -2.455 15.687 5.213 1.00 50.40 C ATOM 1002 CE1 HIS A 68 -1.861 14.935 7.175 1.00 63.41 C ATOM 1003 NE2 HIS A 68 -2.011 14.593 5.914 1.00 2.23 N ATOM 0 H HIS A 68 -2.442 19.115 3.120 1.00 5.24 H new ATOM 0 HA HIS A 68 -2.532 20.063 5.115 1.00 32.32 H new ATOM 0 HB2 HIS A 68 -3.254 18.547 6.891 1.00 63.44 H new ATOM 0 HB3 HIS A 68 -3.967 18.112 5.350 1.00 63.44 H new ATOM 0 HD1 HIS A 68 -2.156 16.725 8.186 1.00 32.32 H new ATOM 0 HD2 HIS A 68 -2.675 15.723 4.156 1.00 50.40 H new ATOM 0 HE1 HIS A 68 -1.527 14.282 7.968 1.00 63.41 H new ATOM 1012 N HIS A 69 0.376 19.482 5.340 1.00 2.31 N ATOM 1013 CA HIS A 69 1.628 19.943 5.960 1.00 74.14 C ATOM 1014 C HIS A 69 1.997 21.319 5.397 1.00 72.44 C ATOM 1015 O HIS A 69 2.022 22.317 6.111 1.00 70.13 O ATOM 1016 CB HIS A 69 2.774 18.954 5.693 1.00 54.02 C ATOM 1017 CG HIS A 69 2.781 17.752 6.584 1.00 31.11 C ATOM 1018 ND1 HIS A 69 3.710 17.575 7.586 1.00 41.25 N ATOM 1019 CD2 HIS A 69 1.995 16.650 6.608 1.00 11.30 C ATOM 1020 CE1 HIS A 69 3.499 16.424 8.184 1.00 21.34 C ATOM 1021 NE2 HIS A 69 2.466 15.844 7.613 1.00 61.00 N ATOM 0 H HIS A 69 0.460 19.288 4.342 1.00 2.31 H new ATOM 0 HA HIS A 69 1.476 20.008 7.037 1.00 74.14 H new ATOM 0 HB2 HIS A 69 2.715 18.621 4.657 1.00 54.02 H new ATOM 0 HB3 HIS A 69 3.723 19.479 5.806 1.00 54.02 H new ATOM 0 HD2 HIS A 69 1.156 16.445 5.959 1.00 11.30 H new ATOM 0 HE1 HIS A 69 4.076 16.023 9.004 1.00 21.34 H new ATOM 0 HE2 HIS A 69 2.077 14.939 7.876 1.00 61.00 H new ATOM 1030 N HIS A 70 2.260 21.343 4.092 1.00 64.21 N ATOM 1031 CA HIS A 70 2.540 22.579 3.352 1.00 54.14 C ATOM 1032 C HIS A 70 1.304 23.500 3.312 1.00 73.41 C ATOM 1033 O HIS A 70 1.404 24.679 2.972 1.00 21.34 O ATOM 1034 CB HIS A 70 2.985 22.208 1.926 1.00 42.42 C ATOM 1035 CG HIS A 70 3.266 23.371 1.024 1.00 72.20 C ATOM 1036 ND1 HIS A 70 2.598 23.577 -0.163 1.00 22.34 N ATOM 1037 CD2 HIS A 70 4.162 24.379 1.126 1.00 14.04 C ATOM 1038 CE1 HIS A 70 3.067 24.658 -0.750 1.00 11.24 C ATOM 1039 NE2 HIS A 70 4.015 25.164 0.009 1.00 1.11 N ATOM 0 H HIS A 70 2.286 20.504 3.513 1.00 64.21 H new ATOM 0 HA HIS A 70 3.334 23.128 3.858 1.00 54.14 H new ATOM 0 HB2 HIS A 70 3.883 21.593 1.991 1.00 42.42 H new ATOM 0 HB3 HIS A 70 2.210 21.593 1.469 1.00 42.42 H new ATOM 0 HD1 HIS A 70 1.854 22.983 -0.531 1.00 22.34 H new ATOM 0 HD2 HIS A 70 4.861 24.537 1.934 1.00 14.04 H new ATOM 0 HE1 HIS A 70 2.731 25.061 -1.694 1.00 11.24 H new ATOM 1048 N HIS A 71 0.144 22.951 3.663 1.00 63.32 N ATOM 1049 CA HIS A 71 -1.110 23.703 3.650 1.00 11.11 C ATOM 1050 C HIS A 71 -2.067 23.197 4.741 1.00 35.20 C ATOM 1051 O HIS A 71 -2.657 22.125 4.602 1.00 52.42 O ATOM 1052 CB HIS A 71 -1.767 23.581 2.269 1.00 23.01 C ATOM 1053 CG HIS A 71 -3.069 24.310 2.147 1.00 11.24 C ATOM 1054 ND1 HIS A 71 -3.158 25.684 2.102 1.00 64.32 N ATOM 1055 CD2 HIS A 71 -4.341 23.852 2.056 1.00 24.31 C ATOM 1056 CE1 HIS A 71 -4.419 26.037 1.989 1.00 54.53 C ATOM 1057 NE2 HIS A 71 -5.157 24.950 1.959 1.00 2.12 N ATOM 0 H HIS A 71 0.045 21.981 3.962 1.00 63.32 H new ATOM 0 HA HIS A 71 -0.891 24.751 3.856 1.00 11.11 H new ATOM 0 HB2 HIS A 71 -1.078 23.961 1.515 1.00 23.01 H new ATOM 0 HB3 HIS A 71 -1.931 22.526 2.048 1.00 23.01 H new ATOM 0 HD2 HIS A 71 -4.653 22.818 2.059 1.00 24.31 H new ATOM 0 HE1 HIS A 71 -4.787 27.051 1.931 1.00 54.53 H new ATOM 0 HE2 HIS A 71 -6.173 24.927 1.877 1.00 2.12 H new ATOM 1066 N HIS A 72 -2.203 23.957 5.828 1.00 21.11 N ATOM 1067 CA HIS A 72 -3.100 23.581 6.931 1.00 12.43 C ATOM 1068 C HIS A 72 -3.520 24.807 7.759 1.00 74.43 C ATOM 1069 O HIS A 72 -2.683 25.473 8.374 1.00 4.12 O ATOM 1070 CB HIS A 72 -2.423 22.539 7.836 1.00 1.51 C ATOM 1071 CG HIS A 72 -3.298 22.053 8.957 1.00 4.33 C ATOM 1072 ND1 HIS A 72 -3.115 22.419 10.275 1.00 54.11 N ATOM 1073 CD2 HIS A 72 -4.368 21.220 8.953 1.00 42.15 C ATOM 1074 CE1 HIS A 72 -4.028 21.836 11.026 1.00 63.44 C ATOM 1075 NE2 HIS A 72 -4.797 21.106 10.250 1.00 3.51 N ATOM 0 H HIS A 72 -1.706 24.836 5.972 1.00 21.11 H new ATOM 0 HA HIS A 72 -4.000 23.147 6.495 1.00 12.43 H new ATOM 0 HB2 HIS A 72 -2.118 21.687 7.229 1.00 1.51 H new ATOM 0 HB3 HIS A 72 -1.515 22.971 8.257 1.00 1.51 H new ATOM 0 HD2 HIS A 72 -4.801 20.737 8.090 1.00 42.15 H new ATOM 0 HE1 HIS A 72 -4.127 21.941 12.096 1.00 63.44 H new ATOM 0 HE2 HIS A 72 -5.588 20.543 10.563 1.00 3.51 H new ATOM 1084 N HIS A 73 -4.820 25.102 7.765 1.00 43.42 N ATOM 1085 CA HIS A 73 -5.372 26.211 8.563 1.00 74.11 C ATOM 1086 C HIS A 73 -5.834 25.737 9.959 1.00 65.22 C ATOM 1087 O HIS A 73 -5.221 26.147 10.971 1.00 37.88 O ATOM 1088 CB HIS A 73 -6.540 26.876 7.817 1.00 13.50 C ATOM 1089 CG HIS A 73 -6.115 27.676 6.619 1.00 1.13 C ATOM 1090 ND1 HIS A 73 -6.126 27.184 5.329 1.00 62.50 N ATOM 1091 CD2 HIS A 73 -5.669 28.952 6.522 1.00 63.51 C ATOM 1092 CE1 HIS A 73 -5.708 28.119 4.500 1.00 54.30 C ATOM 1093 NE2 HIS A 73 -5.425 29.199 5.195 1.00 74.24 N ATOM 1094 OXT HIS A 73 -6.800 24.949 10.033 1.00 37.88 O ATOM 0 H HIS A 73 -5.518 24.589 7.226 1.00 43.42 H new ATOM 0 HA HIS A 73 -4.575 26.941 8.707 1.00 74.11 H new ATOM 0 HB2 HIS A 73 -7.241 26.105 7.498 1.00 13.50 H new ATOM 0 HB3 HIS A 73 -7.076 27.528 8.507 1.00 13.50 H new ATOM 0 HD2 HIS A 73 -5.531 29.646 7.338 1.00 63.51 H new ATOM 0 HE1 HIS A 73 -5.614 28.016 3.429 1.00 54.30 H new ATOM 0 HE2 HIS A 73 -5.080 30.078 4.810 1.00 74.24 H new TER 1103 HIS A 73