USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 24 THR OG1 : rot -22:sc= 0.92 USER MOD Set 1.2: A 27 SER OG : rot -150:sc= 1.01 USER MOD Set 2.1: A 1 MET CE :methyl -134:sc= -0.0188 (180deg=0) USER MOD Set 2.2: A 3 SER OG : rot 1:sc= 0.704 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 16 CYS SG : rot -24:sc= -0.435 USER MOD Single : A 22 THR OG1 : rot -13:sc= 0.919 USER MOD Single : A 28 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0.301 (180deg=0.079) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.803 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -170:sc= 0.179 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.074 USER MOD Single : A 73 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.3) USER MOD Single : A 74 TYR OH : rot -123:sc= 0.12 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0.277 (180deg=0.125) USER MOD Single : A 79 ASN : amide:sc= 0.257 K(o=0.26,f=-0.55) USER MOD Single : A 91 LYS NZ :NH3+ -136:sc= 1.02 (180deg=-0.0895) USER MOD Single : A 96 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.00055) USER MOD Single : A 97 HIS : no HE2:sc= 0.316 K(o=0.32,f=-2.6!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 100 HIS : no HE2:sc= 0.0102 X(o=0.01,f=-0.41) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 PNS O33 : rot -160:sc= 0.01 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.429 -0.604 2.721 1.00 0.00 N ATOM 2 CA MET A 1 -16.407 -0.594 1.648 1.00 0.00 C ATOM 3 C MET A 1 -15.478 0.613 1.839 1.00 0.00 C ATOM 4 O MET A 1 -15.909 1.766 1.708 1.00 0.00 O ATOM 5 CB MET A 1 -17.084 -0.563 0.243 1.00 0.00 C ATOM 6 CG MET A 1 -16.127 -0.777 -0.956 1.00 0.00 C ATOM 7 SD MET A 1 -14.963 0.582 -1.222 1.00 0.00 S ATOM 8 CE MET A 1 -13.920 -0.079 -2.525 1.00 0.00 C ATOM 0 H1 MET A 1 -18.059 -1.421 2.593 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.960 -0.671 3.647 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.986 0.273 2.678 1.00 0.00 H new ATOM 0 HA MET A 1 -15.815 -1.507 1.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.856 -1.332 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.585 0.397 0.120 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.565 -1.697 -0.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.720 -0.916 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.873 0.101 -2.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.091 -1.151 -2.619 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.161 0.411 -3.468 1.00 0.00 H new ATOM 20 N THR A 2 -14.216 0.337 2.189 1.00 0.00 N ATOM 21 CA THR A 2 -13.154 1.343 2.260 1.00 0.00 C ATOM 22 C THR A 2 -12.308 1.257 0.976 1.00 0.00 C ATOM 23 O THR A 2 -11.877 0.165 0.588 1.00 0.00 O ATOM 24 CB THR A 2 -12.253 1.106 3.517 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.068 1.006 4.703 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.219 2.222 3.719 1.00 0.00 C ATOM 0 H THR A 2 -13.902 -0.602 2.433 1.00 0.00 H new ATOM 0 HA THR A 2 -13.598 2.335 2.347 1.00 0.00 H new ATOM 0 HB THR A 2 -11.715 0.174 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.494 0.856 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.621 2.008 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.568 2.278 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.733 3.174 3.850 1.00 0.00 H new ATOM 34 N SER A 3 -12.102 2.402 0.309 1.00 0.00 N ATOM 35 CA SER A 3 -11.281 2.486 -0.909 1.00 0.00 C ATOM 36 C SER A 3 -9.848 2.898 -0.544 1.00 0.00 C ATOM 37 O SER A 3 -9.640 3.701 0.383 1.00 0.00 O ATOM 38 CB SER A 3 -11.914 3.487 -1.893 1.00 0.00 C ATOM 39 OG SER A 3 -13.275 3.166 -2.143 1.00 0.00 O ATOM 0 H SER A 3 -12.499 3.296 0.598 1.00 0.00 H new ATOM 0 HA SER A 3 -11.241 1.510 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.844 4.496 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.358 3.482 -2.830 1.00 0.00 H new ATOM 0 HG SER A 3 -13.525 2.373 -1.624 1.00 0.00 H new ATOM 45 N THR A 4 -8.871 2.349 -1.282 1.00 0.00 N ATOM 46 CA THR A 4 -7.445 2.537 -0.987 1.00 0.00 C ATOM 47 C THR A 4 -7.008 4.003 -1.173 1.00 0.00 C ATOM 48 O THR A 4 -6.515 4.612 -0.222 1.00 0.00 O ATOM 49 CB THR A 4 -6.562 1.582 -1.854 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.044 0.238 -1.717 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.078 1.627 -1.445 1.00 0.00 C ATOM 0 H THR A 4 -9.048 1.764 -2.098 1.00 0.00 H new ATOM 0 HA THR A 4 -7.298 2.283 0.063 1.00 0.00 H new ATOM 0 HB THR A 4 -6.633 1.917 -2.889 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.494 -0.364 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.506 0.947 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.698 2.641 -1.566 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.979 1.325 -0.402 1.00 0.00 H new ATOM 59 N PHE A 5 -7.237 4.578 -2.379 1.00 0.00 N ATOM 60 CA PHE A 5 -6.807 5.959 -2.692 1.00 0.00 C ATOM 61 C PHE A 5 -7.519 6.993 -1.789 1.00 0.00 C ATOM 62 O PHE A 5 -6.920 8.003 -1.434 1.00 0.00 O ATOM 63 CB PHE A 5 -7.034 6.317 -4.188 1.00 0.00 C ATOM 64 CG PHE A 5 -6.660 7.774 -4.521 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.324 8.177 -4.548 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.643 8.750 -4.734 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.989 9.494 -4.789 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.300 10.065 -4.983 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.974 10.436 -5.001 1.00 0.00 C ATOM 0 H PHE A 5 -7.715 4.107 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.736 6.000 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.444 5.645 -4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.081 6.149 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.544 7.450 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.686 8.470 -4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.950 9.789 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.070 10.800 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.705 11.466 -5.181 1.00 0.00 H new ATOM 79 N ASP A 6 -8.792 6.734 -1.440 1.00 0.00 N ATOM 80 CA ASP A 6 -9.569 7.621 -0.534 1.00 0.00 C ATOM 81 C ASP A 6 -8.880 7.743 0.835 1.00 0.00 C ATOM 82 O ASP A 6 -8.754 8.850 1.375 1.00 0.00 O ATOM 83 CB ASP A 6 -11.028 7.119 -0.355 1.00 0.00 C ATOM 84 CG ASP A 6 -11.900 7.417 -1.582 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.825 6.672 -2.573 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.647 8.421 -1.569 1.00 0.00 O ATOM 0 H ASP A 6 -9.311 5.919 -1.768 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.606 8.606 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.020 6.045 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.467 7.591 0.524 1.00 0.00 H new ATOM 91 N ARG A 7 -8.426 6.584 1.358 1.00 0.00 N ATOM 92 CA ARG A 7 -7.657 6.498 2.621 1.00 0.00 C ATOM 93 C ARG A 7 -6.307 7.220 2.489 1.00 0.00 C ATOM 94 O ARG A 7 -5.969 8.032 3.339 1.00 0.00 O ATOM 95 CB ARG A 7 -7.430 5.012 3.055 1.00 0.00 C ATOM 96 CG ARG A 7 -8.500 4.431 3.999 1.00 0.00 C ATOM 97 CD ARG A 7 -8.505 5.117 5.377 1.00 0.00 C ATOM 98 NE ARG A 7 -9.336 4.390 6.358 1.00 0.00 N ATOM 99 CZ ARG A 7 -9.538 4.763 7.631 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.079 5.923 8.078 1.00 0.00 N ATOM 101 NH2 ARG A 7 -10.225 3.976 8.445 1.00 0.00 N ATOM 0 H ARG A 7 -8.582 5.678 0.916 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.247 6.991 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.384 4.392 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.459 4.938 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.483 4.539 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.324 3.363 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.483 5.187 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.877 6.136 5.272 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.794 3.535 6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.566 6.544 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.239 6.195 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.598 3.090 8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.381 4.256 9.413 1.00 0.00 H new ATOM 115 N VAL A 8 -5.571 6.920 1.401 1.00 0.00 N ATOM 116 CA VAL A 8 -4.231 7.492 1.130 1.00 0.00 C ATOM 117 C VAL A 8 -4.291 9.028 1.083 1.00 0.00 C ATOM 118 O VAL A 8 -3.499 9.705 1.732 1.00 0.00 O ATOM 119 CB VAL A 8 -3.632 6.929 -0.217 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.306 7.632 -0.605 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.431 5.398 -0.125 1.00 0.00 C ATOM 0 H VAL A 8 -5.888 6.272 0.680 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.574 7.194 1.947 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.353 7.143 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.931 7.212 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.484 8.700 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.569 7.479 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.017 5.028 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.744 5.170 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.390 4.916 0.064 1.00 0.00 H new ATOM 131 N ALA A 9 -5.270 9.543 0.339 1.00 0.00 N ATOM 132 CA ALA A 9 -5.516 10.980 0.175 1.00 0.00 C ATOM 133 C ALA A 9 -5.854 11.655 1.519 1.00 0.00 C ATOM 134 O ALA A 9 -5.391 12.767 1.792 1.00 0.00 O ATOM 135 CB ALA A 9 -6.640 11.195 -0.845 1.00 0.00 C ATOM 0 H ALA A 9 -5.930 8.962 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.603 11.447 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.822 12.263 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.349 10.766 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.550 10.710 -0.492 1.00 0.00 H new ATOM 141 N THR A 10 -6.657 10.961 2.347 1.00 0.00 N ATOM 142 CA THR A 10 -6.960 11.394 3.722 1.00 0.00 C ATOM 143 C THR A 10 -5.665 11.476 4.568 1.00 0.00 C ATOM 144 O THR A 10 -5.447 12.453 5.280 1.00 0.00 O ATOM 145 CB THR A 10 -7.987 10.429 4.401 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.199 10.398 3.624 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.328 10.838 5.842 1.00 0.00 C ATOM 0 H THR A 10 -7.112 10.087 2.082 1.00 0.00 H new ATOM 0 HA THR A 10 -7.406 12.387 3.668 1.00 0.00 H new ATOM 0 HB THR A 10 -7.522 9.444 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.064 9.841 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.045 10.132 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.420 10.835 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.761 11.838 5.843 1.00 0.00 H new ATOM 155 N ILE A 11 -4.808 10.450 4.436 1.00 0.00 N ATOM 156 CA ILE A 11 -3.519 10.352 5.150 1.00 0.00 C ATOM 157 C ILE A 11 -2.571 11.507 4.770 1.00 0.00 C ATOM 158 O ILE A 11 -1.905 12.062 5.634 1.00 0.00 O ATOM 159 CB ILE A 11 -2.838 8.951 4.875 1.00 0.00 C ATOM 160 CG1 ILE A 11 -3.701 7.799 5.497 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.388 8.899 5.403 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.277 6.392 5.127 1.00 0.00 C ATOM 0 H ILE A 11 -4.991 9.655 3.824 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.723 10.435 6.218 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.789 8.812 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.674 7.894 6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.738 7.940 5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.959 7.919 5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.794 9.669 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.386 9.073 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.939 5.674 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.333 6.268 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.253 6.221 5.459 1.00 0.00 H new ATOM 174 N ILE A 12 -2.551 11.881 3.485 1.00 0.00 N ATOM 175 CA ILE A 12 -1.683 12.962 2.972 1.00 0.00 C ATOM 176 C ILE A 12 -2.166 14.324 3.508 1.00 0.00 C ATOM 177 O ILE A 12 -1.359 15.175 3.921 1.00 0.00 O ATOM 178 CB ILE A 12 -1.684 12.949 1.399 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.127 11.590 0.874 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.893 14.141 0.800 1.00 0.00 C ATOM 181 CD1 ILE A 12 -1.317 11.366 -0.611 1.00 0.00 C ATOM 0 H ILE A 12 -3.133 11.447 2.768 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.662 12.799 3.318 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.717 13.061 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.063 11.535 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.613 10.779 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.923 14.087 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.342 15.078 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.143 14.096 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.901 10.398 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.381 11.386 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.807 12.153 -1.166 1.00 0.00 H new ATOM 193 N ALA A 13 -3.502 14.494 3.502 1.00 0.00 N ATOM 194 CA ALA A 13 -4.185 15.642 4.120 1.00 0.00 C ATOM 195 C ALA A 13 -3.823 15.780 5.614 1.00 0.00 C ATOM 196 O ALA A 13 -3.539 16.882 6.084 1.00 0.00 O ATOM 197 CB ALA A 13 -5.712 15.508 3.934 1.00 0.00 C ATOM 0 H ALA A 13 -4.141 13.831 3.064 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.846 16.550 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.211 16.361 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.948 15.480 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.057 14.588 4.406 1.00 0.00 H new ATOM 203 N GLU A 14 -3.808 14.649 6.338 1.00 0.00 N ATOM 204 CA GLU A 14 -3.463 14.605 7.769 1.00 0.00 C ATOM 205 C GLU A 14 -1.971 14.910 8.018 1.00 0.00 C ATOM 206 O GLU A 14 -1.641 15.727 8.882 1.00 0.00 O ATOM 207 CB GLU A 14 -3.829 13.215 8.364 1.00 0.00 C ATOM 208 CG GLU A 14 -5.343 12.914 8.432 1.00 0.00 C ATOM 209 CD GLU A 14 -6.114 13.900 9.323 1.00 0.00 C ATOM 210 OE1 GLU A 14 -6.040 13.773 10.562 1.00 0.00 O ATOM 211 OE2 GLU A 14 -6.781 14.814 8.790 1.00 0.00 O ATOM 0 H GLU A 14 -4.036 13.735 5.946 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.043 15.381 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.346 12.442 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.414 13.146 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.759 12.942 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.490 11.902 8.809 1.00 0.00 H new ATOM 218 N THR A 15 -1.088 14.269 7.233 1.00 0.00 N ATOM 219 CA THR A 15 0.368 14.290 7.469 1.00 0.00 C ATOM 220 C THR A 15 0.954 15.685 7.198 1.00 0.00 C ATOM 221 O THR A 15 1.551 16.310 8.083 1.00 0.00 O ATOM 222 CB THR A 15 1.109 13.225 6.575 1.00 0.00 C ATOM 223 OG1 THR A 15 0.597 11.912 6.849 1.00 0.00 O ATOM 224 CG2 THR A 15 2.637 13.222 6.788 1.00 0.00 C ATOM 0 H THR A 15 -1.362 13.722 6.417 1.00 0.00 H new ATOM 0 HA THR A 15 0.525 14.038 8.518 1.00 0.00 H new ATOM 0 HB THR A 15 0.920 13.503 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.296 11.820 6.455 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.092 12.468 6.146 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.041 14.203 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.859 12.992 7.830 1.00 0.00 H new ATOM 232 N CYS A 16 0.727 16.192 5.980 1.00 0.00 N ATOM 233 CA CYS A 16 1.441 17.363 5.452 1.00 0.00 C ATOM 234 C CYS A 16 0.543 18.607 5.388 1.00 0.00 C ATOM 235 O CYS A 16 1.041 19.703 5.114 1.00 0.00 O ATOM 236 CB CYS A 16 1.982 17.008 4.049 1.00 0.00 C ATOM 237 SG CYS A 16 2.816 18.364 3.207 1.00 0.00 S ATOM 0 H CYS A 16 0.043 15.802 5.332 1.00 0.00 H new ATOM 0 HA CYS A 16 2.262 17.610 6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.676 16.172 4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.153 16.667 3.429 1.00 0.00 H new ATOM 0 HG CYS A 16 2.392 19.497 3.683 1.00 0.00 H new ATOM 243 N ASP A 17 -0.762 18.443 5.706 1.00 0.00 N ATOM 244 CA ASP A 17 -1.799 19.462 5.442 1.00 0.00 C ATOM 245 C ASP A 17 -1.834 19.811 3.938 1.00 0.00 C ATOM 246 O ASP A 17 -1.476 20.916 3.515 1.00 0.00 O ATOM 247 CB ASP A 17 -1.621 20.716 6.359 1.00 0.00 C ATOM 248 CG ASP A 17 -2.759 21.747 6.227 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.893 21.451 6.665 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.534 22.862 5.702 1.00 0.00 O ATOM 0 H ASP A 17 -1.123 17.600 6.153 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.773 19.046 5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.557 20.390 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.675 21.200 6.118 1.00 0.00 H new ATOM 255 N ILE A 18 -2.194 18.802 3.128 1.00 0.00 N ATOM 256 CA ILE A 18 -2.373 18.950 1.673 1.00 0.00 C ATOM 257 C ILE A 18 -3.879 18.901 1.355 1.00 0.00 C ATOM 258 O ILE A 18 -4.551 17.950 1.775 1.00 0.00 O ATOM 259 CB ILE A 18 -1.602 17.833 0.864 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.063 17.904 1.129 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.898 17.917 -0.657 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.609 19.206 0.702 1.00 0.00 C ATOM 0 H ILE A 18 -2.370 17.856 3.465 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.953 19.908 1.366 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.967 16.870 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.114 17.755 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.418 17.077 0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.349 17.133 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.967 17.787 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.586 18.891 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.674 19.157 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.471 19.352 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.162 20.040 1.242 1.00 0.00 H new ATOM 274 N PRO A 19 -4.445 19.938 0.636 1.00 0.00 N ATOM 275 CA PRO A 19 -5.877 19.959 0.254 1.00 0.00 C ATOM 276 C PRO A 19 -6.283 18.696 -0.539 1.00 0.00 C ATOM 277 O PRO A 19 -5.644 18.365 -1.538 1.00 0.00 O ATOM 278 CB PRO A 19 -6.014 21.241 -0.613 1.00 0.00 C ATOM 279 CG PRO A 19 -4.873 22.111 -0.192 1.00 0.00 C ATOM 280 CD PRO A 19 -3.745 21.164 0.157 1.00 0.00 C ATOM 0 HA PRO A 19 -6.535 19.966 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.961 21.007 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.971 21.734 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.581 22.789 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.146 22.728 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.117 20.954 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.096 21.581 0.927 1.00 0.00 H new ATOM 288 N ARG A 20 -7.317 17.986 -0.043 1.00 0.00 N ATOM 289 CA ARG A 20 -7.910 16.786 -0.694 1.00 0.00 C ATOM 290 C ARG A 20 -8.219 17.031 -2.195 1.00 0.00 C ATOM 291 O ARG A 20 -8.078 16.125 -3.023 1.00 0.00 O ATOM 292 CB ARG A 20 -9.199 16.383 0.080 1.00 0.00 C ATOM 293 CG ARG A 20 -9.934 15.112 -0.411 1.00 0.00 C ATOM 294 CD ARG A 20 -9.146 13.795 -0.211 1.00 0.00 C ATOM 295 NE ARG A 20 -10.051 12.639 0.026 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.285 11.624 -0.808 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.699 11.552 -1.986 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.127 10.677 -0.448 1.00 0.00 N ATOM 0 H ARG A 20 -7.775 18.229 0.835 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.185 15.973 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.936 16.241 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.898 17.219 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.886 15.033 0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.162 15.226 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.533 13.602 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.466 13.903 0.634 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.544 12.620 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.050 12.283 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.894 10.766 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.591 10.725 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.315 9.896 -1.076 1.00 0.00 H new ATOM 312 N GLU A 21 -8.589 18.280 -2.530 1.00 0.00 N ATOM 313 CA GLU A 21 -8.923 18.699 -3.909 1.00 0.00 C ATOM 314 C GLU A 21 -7.710 18.585 -4.861 1.00 0.00 C ATOM 315 O GLU A 21 -7.862 18.201 -6.027 1.00 0.00 O ATOM 316 CB GLU A 21 -9.460 20.159 -3.887 1.00 0.00 C ATOM 317 CG GLU A 21 -8.477 21.181 -3.285 1.00 0.00 C ATOM 318 CD GLU A 21 -8.990 22.624 -3.305 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.866 23.290 -4.351 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.521 23.103 -2.279 1.00 0.00 O ATOM 0 H GLU A 21 -8.666 19.035 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.692 18.027 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.703 20.461 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.389 20.185 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.259 20.898 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.537 21.133 -3.834 1.00 0.00 H new ATOM 327 N THR A 22 -6.506 18.897 -4.340 1.00 0.00 N ATOM 328 CA THR A 22 -5.259 18.897 -5.132 1.00 0.00 C ATOM 329 C THR A 22 -4.597 17.505 -5.147 1.00 0.00 C ATOM 330 O THR A 22 -3.591 17.301 -5.837 1.00 0.00 O ATOM 331 CB THR A 22 -4.250 19.970 -4.587 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.961 19.742 -3.192 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.789 21.402 -4.761 1.00 0.00 C ATOM 0 H THR A 22 -6.371 19.155 -3.362 1.00 0.00 H new ATOM 0 HA THR A 22 -5.526 19.155 -6.157 1.00 0.00 H new ATOM 0 HB THR A 22 -3.336 19.868 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.606 19.102 -2.825 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.062 22.114 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.961 21.600 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.727 21.507 -4.216 1.00 0.00 H new ATOM 341 N ILE A 23 -5.176 16.543 -4.400 1.00 0.00 N ATOM 342 CA ILE A 23 -4.659 15.174 -4.333 1.00 0.00 C ATOM 343 C ILE A 23 -5.350 14.328 -5.422 1.00 0.00 C ATOM 344 O ILE A 23 -6.479 13.860 -5.242 1.00 0.00 O ATOM 345 CB ILE A 23 -4.896 14.550 -2.905 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.257 15.447 -1.797 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.341 13.112 -2.824 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.516 14.995 -0.367 1.00 0.00 C ATOM 0 H ILE A 23 -6.009 16.698 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.583 15.185 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.972 14.505 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.180 15.485 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.633 16.463 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.519 12.709 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.841 12.487 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.270 13.124 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.031 15.683 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.589 14.986 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.114 13.992 -0.224 1.00 0.00 H new ATOM 360 N THR A 24 -4.688 14.197 -6.577 1.00 0.00 N ATOM 361 CA THR A 24 -5.164 13.352 -7.689 1.00 0.00 C ATOM 362 C THR A 24 -4.367 12.028 -7.694 1.00 0.00 C ATOM 363 O THR A 24 -3.264 11.978 -7.141 1.00 0.00 O ATOM 364 CB THR A 24 -4.997 14.088 -9.068 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.607 14.296 -9.353 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.732 15.441 -9.077 1.00 0.00 C ATOM 0 H THR A 24 -3.807 14.672 -6.772 1.00 0.00 H new ATOM 0 HA THR A 24 -6.225 13.145 -7.547 1.00 0.00 H new ATOM 0 HB THR A 24 -5.438 13.453 -9.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.095 14.276 -8.517 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.596 15.923 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.795 15.279 -8.899 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.326 16.081 -8.293 1.00 0.00 H new ATOM 374 N PRO A 25 -4.907 10.921 -8.309 1.00 0.00 N ATOM 375 CA PRO A 25 -4.152 9.646 -8.461 1.00 0.00 C ATOM 376 C PRO A 25 -2.875 9.810 -9.311 1.00 0.00 C ATOM 377 O PRO A 25 -1.967 8.978 -9.247 1.00 0.00 O ATOM 378 CB PRO A 25 -5.176 8.691 -9.132 1.00 0.00 C ATOM 379 CG PRO A 25 -6.514 9.302 -8.840 1.00 0.00 C ATOM 380 CD PRO A 25 -6.286 10.795 -8.852 1.00 0.00 C ATOM 0 HA PRO A 25 -3.785 9.270 -7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.001 8.614 -10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.104 7.683 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.250 9.011 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.894 8.971 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.364 11.208 -9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.014 11.321 -8.234 1.00 0.00 H new ATOM 388 N GLU A 26 -2.802 10.930 -10.062 1.00 0.00 N ATOM 389 CA GLU A 26 -1.703 11.225 -10.993 1.00 0.00 C ATOM 390 C GLU A 26 -0.568 11.991 -10.267 1.00 0.00 C ATOM 391 O GLU A 26 0.468 12.269 -10.870 1.00 0.00 O ATOM 392 CB GLU A 26 -2.232 12.094 -12.179 1.00 0.00 C ATOM 393 CG GLU A 26 -3.641 11.735 -12.700 1.00 0.00 C ATOM 394 CD GLU A 26 -3.767 10.308 -13.256 1.00 0.00 C ATOM 395 OE1 GLU A 26 -3.393 10.081 -14.425 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.233 9.400 -12.525 1.00 0.00 O ATOM 0 H GLU A 26 -3.514 11.659 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.310 10.282 -11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.236 13.138 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.528 12.012 -13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.358 11.861 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.917 12.442 -13.482 1.00 0.00 H new ATOM 403 N SER A 27 -0.772 12.317 -8.967 1.00 0.00 N ATOM 404 CA SER A 27 0.151 13.175 -8.195 1.00 0.00 C ATOM 405 C SER A 27 1.386 12.379 -7.757 1.00 0.00 C ATOM 406 O SER A 27 1.266 11.237 -7.296 1.00 0.00 O ATOM 407 CB SER A 27 -0.553 13.767 -6.950 1.00 0.00 C ATOM 408 OG SER A 27 -1.707 14.496 -7.307 1.00 0.00 O ATOM 0 H SER A 27 -1.577 11.993 -8.430 1.00 0.00 H new ATOM 0 HA SER A 27 0.464 13.994 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.826 12.962 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.139 14.417 -6.414 1.00 0.00 H new ATOM 0 HG SER A 27 -1.855 15.214 -6.656 1.00 0.00 H new ATOM 414 N HIS A 28 2.565 12.991 -7.927 1.00 0.00 N ATOM 415 CA HIS A 28 3.826 12.460 -7.404 1.00 0.00 C ATOM 416 C HIS A 28 4.064 13.098 -6.023 1.00 0.00 C ATOM 417 O HIS A 28 4.170 14.319 -5.931 1.00 0.00 O ATOM 418 CB HIS A 28 4.986 12.798 -8.372 1.00 0.00 C ATOM 419 CG HIS A 28 6.273 12.057 -8.095 1.00 0.00 C ATOM 420 ND1 HIS A 28 7.201 12.525 -7.205 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.754 10.925 -8.659 1.00 0.00 C ATOM 422 CE1 HIS A 28 8.217 11.689 -7.253 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.990 10.700 -8.117 1.00 0.00 N ATOM 0 H HIS A 28 2.669 13.871 -8.433 1.00 0.00 H new ATOM 0 HA HIS A 28 3.779 11.375 -7.311 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.667 12.578 -9.391 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.181 13.869 -8.324 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.256 10.314 -9.398 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.119 11.792 -6.667 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.617 9.925 -8.333 1.00 0.00 H new ATOM 431 N ALA A 29 4.117 12.274 -4.963 1.00 0.00 N ATOM 432 CA ALA A 29 4.311 12.719 -3.565 1.00 0.00 C ATOM 433 C ALA A 29 5.436 13.755 -3.401 1.00 0.00 C ATOM 434 O ALA A 29 5.284 14.721 -2.657 1.00 0.00 O ATOM 435 CB ALA A 29 4.564 11.498 -2.662 1.00 0.00 C ATOM 0 H ALA A 29 4.025 11.262 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 29 3.393 13.223 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.706 11.829 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.708 10.825 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.457 10.974 -3.001 1.00 0.00 H new ATOM 441 N ILE A 30 6.519 13.604 -4.175 1.00 0.00 N ATOM 442 CA ILE A 30 7.724 14.436 -4.026 1.00 0.00 C ATOM 443 C ILE A 30 7.689 15.582 -5.057 1.00 0.00 C ATOM 444 O ILE A 30 7.991 16.736 -4.737 1.00 0.00 O ATOM 445 CB ILE A 30 9.027 13.569 -4.203 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.992 12.317 -3.267 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.309 14.400 -3.945 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.240 11.456 -3.316 1.00 0.00 C ATOM 0 H ILE A 30 6.586 12.908 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 30 7.740 14.860 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 30 9.053 13.231 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.837 12.651 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.132 11.703 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.186 13.766 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.352 15.231 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.292 14.788 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.127 10.612 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.388 11.087 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.104 12.050 -3.016 1.00 0.00 H new ATOM 460 N ASP A 31 7.269 15.253 -6.294 1.00 0.00 N ATOM 461 CA ASP A 31 7.310 16.183 -7.448 1.00 0.00 C ATOM 462 C ASP A 31 5.874 16.615 -7.831 1.00 0.00 C ATOM 463 O ASP A 31 5.490 16.644 -9.010 1.00 0.00 O ATOM 464 CB ASP A 31 8.058 15.512 -8.643 1.00 0.00 C ATOM 465 CG ASP A 31 8.452 16.512 -9.751 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.266 17.421 -9.477 1.00 0.00 O ATOM 467 OD2 ASP A 31 7.929 16.419 -10.886 1.00 0.00 O ATOM 0 H ASP A 31 6.891 14.334 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 31 7.861 17.083 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.956 15.019 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.423 14.736 -9.071 1.00 0.00 H new ATOM 472 N ASP A 32 5.092 16.952 -6.796 1.00 0.00 N ATOM 473 CA ASP A 32 3.745 17.542 -6.929 1.00 0.00 C ATOM 474 C ASP A 32 3.292 18.032 -5.550 1.00 0.00 C ATOM 475 O ASP A 32 3.154 19.234 -5.323 1.00 0.00 O ATOM 476 CB ASP A 32 2.710 16.534 -7.512 1.00 0.00 C ATOM 477 CG ASP A 32 1.321 17.155 -7.754 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.086 17.684 -8.862 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.461 17.110 -6.849 1.00 0.00 O ATOM 0 H ASP A 32 5.379 16.822 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 32 3.800 18.372 -7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.091 16.137 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.609 15.692 -6.828 1.00 0.00 H new ATOM 484 N LEU A 33 3.099 17.072 -4.625 1.00 0.00 N ATOM 485 CA LEU A 33 2.597 17.343 -3.263 1.00 0.00 C ATOM 486 C LEU A 33 3.658 18.036 -2.377 1.00 0.00 C ATOM 487 O LEU A 33 3.317 18.567 -1.314 1.00 0.00 O ATOM 488 CB LEU A 33 2.133 16.018 -2.608 1.00 0.00 C ATOM 489 CG LEU A 33 1.048 15.201 -3.391 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.780 13.848 -2.706 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.267 16.002 -3.570 1.00 0.00 C ATOM 0 H LEU A 33 3.287 16.085 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 33 1.754 18.028 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.006 15.381 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.741 16.245 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 33 1.445 15.009 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.024 13.299 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.702 13.267 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.425 14.019 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.990 15.397 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.674 16.256 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.063 16.916 -4.127 1.00 0.00 H new ATOM 503 N GLY A 34 4.936 18.018 -2.824 1.00 0.00 N ATOM 504 CA GLY A 34 6.047 18.641 -2.088 1.00 0.00 C ATOM 505 C GLY A 34 6.332 17.947 -0.763 1.00 0.00 C ATOM 506 O GLY A 34 6.450 18.596 0.285 1.00 0.00 O ATOM 0 H GLY A 34 5.218 17.574 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.945 18.620 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.813 19.689 -1.902 1.00 0.00 H new ATOM 510 N ILE A 35 6.422 16.613 -0.829 1.00 0.00 N ATOM 511 CA ILE A 35 6.594 15.731 0.341 1.00 0.00 C ATOM 512 C ILE A 35 7.837 14.858 0.128 1.00 0.00 C ATOM 513 O ILE A 35 7.886 14.096 -0.834 1.00 0.00 O ATOM 514 CB ILE A 35 5.317 14.816 0.545 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.050 15.692 0.820 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.527 13.759 1.663 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.754 14.919 0.937 1.00 0.00 C ATOM 0 H ILE A 35 6.377 16.103 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 35 6.719 16.342 1.235 1.00 0.00 H new ATOM 0 HB ILE A 35 5.158 14.264 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.207 16.252 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.950 16.422 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.625 13.155 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.367 13.115 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.736 14.264 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.934 15.611 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.566 14.380 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.827 14.208 1.760 1.00 0.00 H new ATOM 529 N ASP A 36 8.832 14.973 1.027 1.00 0.00 N ATOM 530 CA ASP A 36 10.062 14.149 0.989 1.00 0.00 C ATOM 531 C ASP A 36 9.769 12.749 1.529 1.00 0.00 C ATOM 532 O ASP A 36 8.726 12.530 2.147 1.00 0.00 O ATOM 533 CB ASP A 36 11.192 14.791 1.841 1.00 0.00 C ATOM 534 CG ASP A 36 11.761 16.069 1.219 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.709 15.979 0.417 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.258 17.163 1.518 1.00 0.00 O ATOM 0 H ASP A 36 8.809 15.638 1.800 1.00 0.00 H new ATOM 0 HA ASP A 36 10.392 14.089 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.805 15.019 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.997 14.068 1.970 1.00 0.00 H new ATOM 541 N SER A 37 10.736 11.823 1.351 1.00 0.00 N ATOM 542 CA SER A 37 10.645 10.442 1.877 1.00 0.00 C ATOM 543 C SER A 37 10.500 10.440 3.405 1.00 0.00 C ATOM 544 O SER A 37 9.900 9.541 3.957 1.00 0.00 O ATOM 545 CB SER A 37 11.879 9.614 1.462 1.00 0.00 C ATOM 546 OG SER A 37 12.141 9.826 0.074 1.00 0.00 O ATOM 0 H SER A 37 11.599 12.010 0.841 1.00 0.00 H new ATOM 0 HA SER A 37 9.755 9.984 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.745 9.906 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.703 8.556 1.654 1.00 0.00 H new ATOM 551 N LEU A 38 11.033 11.493 4.050 1.00 0.00 N ATOM 552 CA LEU A 38 10.980 11.691 5.515 1.00 0.00 C ATOM 553 C LEU A 38 9.514 11.780 5.993 1.00 0.00 C ATOM 554 O LEU A 38 9.104 11.092 6.935 1.00 0.00 O ATOM 555 CB LEU A 38 11.752 12.994 5.921 1.00 0.00 C ATOM 556 CG LEU A 38 13.298 13.034 5.662 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.000 11.800 6.255 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.633 13.224 4.170 1.00 0.00 C ATOM 0 H LEU A 38 11.521 12.244 3.563 1.00 0.00 H new ATOM 0 HA LEU A 38 11.457 10.836 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.301 13.831 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.585 13.165 6.984 1.00 0.00 H new ATOM 0 HG LEU A 38 13.686 13.910 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.070 11.860 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.831 11.768 7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.597 10.897 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.715 13.246 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.215 12.398 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.206 14.163 3.818 1.00 0.00 H new ATOM 570 N ASP A 39 8.739 12.632 5.307 1.00 0.00 N ATOM 571 CA ASP A 39 7.303 12.847 5.592 1.00 0.00 C ATOM 572 C ASP A 39 6.456 11.721 4.965 1.00 0.00 C ATOM 573 O ASP A 39 5.341 11.437 5.422 1.00 0.00 O ATOM 574 CB ASP A 39 6.857 14.223 5.038 1.00 0.00 C ATOM 575 CG ASP A 39 7.781 15.379 5.468 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.820 15.599 4.797 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.492 16.066 6.473 1.00 0.00 O ATOM 0 H ASP A 39 9.088 13.197 4.533 1.00 0.00 H new ATOM 0 HA ASP A 39 7.153 12.832 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.826 14.177 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.842 14.432 5.377 1.00 0.00 H new ATOM 582 N PHE A 40 7.018 11.069 3.925 1.00 0.00 N ATOM 583 CA PHE A 40 6.352 9.981 3.191 1.00 0.00 C ATOM 584 C PHE A 40 6.459 8.664 3.990 1.00 0.00 C ATOM 585 O PHE A 40 5.674 7.739 3.774 1.00 0.00 O ATOM 586 CB PHE A 40 6.963 9.838 1.768 1.00 0.00 C ATOM 587 CG PHE A 40 6.167 8.950 0.810 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.858 9.276 0.463 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.727 7.803 0.243 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.136 8.489 -0.413 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.002 7.013 -0.633 1.00 0.00 C ATOM 592 CZ PHE A 40 4.709 7.357 -0.962 1.00 0.00 C ATOM 0 H PHE A 40 7.950 11.286 3.572 1.00 0.00 H new ATOM 0 HA PHE A 40 5.295 10.219 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.056 10.831 1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.971 9.435 1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.400 10.158 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.741 7.528 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.122 8.758 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.450 6.127 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.144 6.743 -1.648 1.00 0.00 H new ATOM 602 N LEU A 41 7.452 8.595 4.914 1.00 0.00 N ATOM 603 CA LEU A 41 7.550 7.506 5.906 1.00 0.00 C ATOM 604 C LEU A 41 6.344 7.577 6.847 1.00 0.00 C ATOM 605 O LEU A 41 5.759 6.555 7.173 1.00 0.00 O ATOM 606 CB LEU A 41 8.859 7.573 6.751 1.00 0.00 C ATOM 607 CG LEU A 41 10.198 7.255 6.013 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.399 7.295 6.989 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.117 5.908 5.257 1.00 0.00 C ATOM 0 H LEU A 41 8.197 9.288 4.988 1.00 0.00 H new ATOM 0 HA LEU A 41 7.567 6.566 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.936 8.574 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.759 6.879 7.585 1.00 0.00 H new ATOM 0 HG LEU A 41 10.361 8.033 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.317 7.070 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.474 8.288 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.253 6.556 7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.065 5.716 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.913 5.105 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.317 5.953 4.518 1.00 0.00 H new ATOM 621 N ASP A 42 5.990 8.814 7.266 1.00 0.00 N ATOM 622 CA ASP A 42 4.852 9.071 8.169 1.00 0.00 C ATOM 623 C ASP A 42 3.526 8.743 7.460 1.00 0.00 C ATOM 624 O ASP A 42 2.624 8.146 8.060 1.00 0.00 O ATOM 625 CB ASP A 42 4.862 10.535 8.682 1.00 0.00 C ATOM 626 CG ASP A 42 3.842 10.778 9.819 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.173 10.499 10.991 1.00 0.00 O ATOM 628 OD2 ASP A 42 2.702 11.225 9.552 1.00 0.00 O ATOM 0 H ASP A 42 6.487 9.659 6.986 1.00 0.00 H new ATOM 0 HA ASP A 42 4.950 8.420 9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.862 10.784 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.642 11.207 7.853 1.00 0.00 H new ATOM 633 N ILE A 43 3.436 9.116 6.164 1.00 0.00 N ATOM 634 CA ILE A 43 2.309 8.721 5.294 1.00 0.00 C ATOM 635 C ILE A 43 2.190 7.183 5.245 1.00 0.00 C ATOM 636 O ILE A 43 1.088 6.635 5.358 1.00 0.00 O ATOM 637 CB ILE A 43 2.460 9.306 3.831 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.401 10.869 3.868 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.398 8.727 2.849 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.506 11.554 2.516 1.00 0.00 C ATOM 0 H ILE A 43 4.135 9.693 5.697 1.00 0.00 H new ATOM 0 HA ILE A 43 1.398 9.140 5.722 1.00 0.00 H new ATOM 0 HB ILE A 43 3.434 8.998 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.465 11.170 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.208 11.232 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.544 9.159 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.508 7.644 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.398 8.972 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.455 12.634 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.455 11.291 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.684 11.228 1.878 1.00 0.00 H new ATOM 652 N ALA A 44 3.347 6.502 5.159 1.00 0.00 N ATOM 653 CA ALA A 44 3.411 5.042 5.056 1.00 0.00 C ATOM 654 C ALA A 44 3.094 4.370 6.409 1.00 0.00 C ATOM 655 O ALA A 44 2.495 3.312 6.421 1.00 0.00 O ATOM 656 CB ALA A 44 4.790 4.610 4.550 1.00 0.00 C ATOM 0 H ALA A 44 4.262 6.953 5.159 1.00 0.00 H new ATOM 0 HA ALA A 44 2.655 4.718 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.827 3.523 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.970 5.046 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.556 4.953 5.245 1.00 0.00 H new ATOM 662 N PHE A 45 3.478 5.014 7.542 1.00 0.00 N ATOM 663 CA PHE A 45 3.175 4.514 8.915 1.00 0.00 C ATOM 664 C PHE A 45 1.655 4.394 9.095 1.00 0.00 C ATOM 665 O PHE A 45 1.147 3.375 9.571 1.00 0.00 O ATOM 666 CB PHE A 45 3.776 5.442 10.029 1.00 0.00 C ATOM 667 CG PHE A 45 5.253 5.199 10.347 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.665 3.977 10.869 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.224 6.179 10.133 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.996 3.744 11.169 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.552 5.946 10.431 1.00 0.00 C ATOM 672 CZ PHE A 45 7.940 4.724 10.942 1.00 0.00 C ATOM 0 H PHE A 45 4.003 5.889 7.533 1.00 0.00 H new ATOM 0 HA PHE A 45 3.642 3.535 9.022 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.652 6.480 9.721 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.197 5.309 10.943 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.936 3.199 11.043 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.931 7.136 9.727 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.296 2.792 11.582 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.287 6.720 10.264 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.980 4.535 11.164 1.00 0.00 H new ATOM 682 N ALA A 46 0.957 5.438 8.637 1.00 0.00 N ATOM 683 CA ALA A 46 -0.507 5.535 8.702 1.00 0.00 C ATOM 684 C ALA A 46 -1.181 4.495 7.784 1.00 0.00 C ATOM 685 O ALA A 46 -2.231 3.954 8.125 1.00 0.00 O ATOM 686 CB ALA A 46 -0.942 6.951 8.320 1.00 0.00 C ATOM 0 H ALA A 46 1.397 6.250 8.205 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.823 5.322 9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.029 7.023 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.500 7.667 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.608 7.173 7.306 1.00 0.00 H new ATOM 692 N ILE A 47 -0.554 4.240 6.618 1.00 0.00 N ATOM 693 CA ILE A 47 -1.006 3.216 5.654 1.00 0.00 C ATOM 694 C ILE A 47 -0.909 1.797 6.258 1.00 0.00 C ATOM 695 O ILE A 47 -1.859 1.020 6.189 1.00 0.00 O ATOM 696 CB ILE A 47 -0.170 3.297 4.314 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.519 4.595 3.515 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.358 2.037 3.432 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.355 4.867 2.300 1.00 0.00 C ATOM 0 H ILE A 47 0.283 4.740 6.317 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.052 3.419 5.425 1.00 0.00 H new ATOM 0 HB ILE A 47 0.882 3.338 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.557 4.532 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.448 5.447 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.235 2.138 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.031 1.155 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.410 1.931 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.030 5.789 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.394 4.968 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.268 4.039 1.596 1.00 0.00 H new ATOM 711 N ASP A 48 0.246 1.488 6.850 1.00 0.00 N ATOM 712 CA ASP A 48 0.538 0.155 7.425 1.00 0.00 C ATOM 713 C ASP A 48 -0.475 -0.203 8.518 1.00 0.00 C ATOM 714 O ASP A 48 -0.947 -1.336 8.606 1.00 0.00 O ATOM 715 CB ASP A 48 1.965 0.105 8.024 1.00 0.00 C ATOM 716 CG ASP A 48 3.099 0.442 7.043 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.879 0.460 5.816 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.230 0.694 7.511 1.00 0.00 O ATOM 0 H ASP A 48 1.014 2.152 6.949 1.00 0.00 H new ATOM 0 HA ASP A 48 0.466 -0.569 6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.014 0.799 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.138 -0.893 8.426 1.00 0.00 H new ATOM 723 N LYS A 49 -0.798 0.802 9.333 1.00 0.00 N ATOM 724 CA LYS A 49 -1.740 0.670 10.445 1.00 0.00 C ATOM 725 C LYS A 49 -3.192 0.542 9.939 1.00 0.00 C ATOM 726 O LYS A 49 -3.915 -0.376 10.349 1.00 0.00 O ATOM 727 CB LYS A 49 -1.581 1.885 11.386 1.00 0.00 C ATOM 728 CG LYS A 49 -0.201 1.962 12.083 1.00 0.00 C ATOM 729 CD LYS A 49 0.043 3.304 12.803 1.00 0.00 C ATOM 730 CE LYS A 49 -0.982 3.594 13.905 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.769 4.921 14.524 1.00 0.00 N ATOM 0 H LYS A 49 -0.409 1.740 9.239 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.516 -0.243 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.739 2.799 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.360 1.847 12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.120 1.150 12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.582 1.808 11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.042 3.299 13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.018 4.111 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.987 3.546 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.919 2.822 14.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.483 5.078 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.181 4.959 14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.855 5.661 13.798 1.00 0.00 H new ATOM 745 N ALA A 50 -3.604 1.462 9.037 1.00 0.00 N ATOM 746 CA ALA A 50 -4.986 1.510 8.493 1.00 0.00 C ATOM 747 C ALA A 50 -5.349 0.226 7.717 1.00 0.00 C ATOM 748 O ALA A 50 -6.377 -0.407 7.979 1.00 0.00 O ATOM 749 CB ALA A 50 -5.169 2.755 7.596 1.00 0.00 C ATOM 0 H ALA A 50 -2.993 2.190 8.666 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.668 1.579 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.186 2.776 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.987 3.656 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.463 2.713 6.767 1.00 0.00 H new ATOM 755 N PHE A 51 -4.473 -0.143 6.783 1.00 0.00 N ATOM 756 CA PHE A 51 -4.658 -1.298 5.881 1.00 0.00 C ATOM 757 C PHE A 51 -4.154 -2.618 6.501 1.00 0.00 C ATOM 758 O PHE A 51 -4.306 -3.678 5.884 1.00 0.00 O ATOM 759 CB PHE A 51 -3.950 -1.027 4.537 1.00 0.00 C ATOM 760 CG PHE A 51 -4.519 0.170 3.770 1.00 0.00 C ATOM 761 CD1 PHE A 51 -5.571 0.003 2.875 1.00 0.00 C ATOM 762 CD2 PHE A 51 -3.977 1.446 3.915 1.00 0.00 C ATOM 763 CE1 PHE A 51 -6.065 1.068 2.158 1.00 0.00 C ATOM 764 CE2 PHE A 51 -4.475 2.515 3.197 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.509 2.319 2.308 1.00 0.00 C ATOM 0 H PHE A 51 -3.598 0.355 6.623 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.729 -1.418 5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.890 -0.857 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.025 -1.917 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.006 -0.976 2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.156 1.601 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.890 0.923 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.056 3.501 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.885 3.149 1.727 1.00 0.00 H new ATOM 775 N GLY A 52 -3.538 -2.544 7.700 1.00 0.00 N ATOM 776 CA GLY A 52 -3.103 -3.737 8.444 1.00 0.00 C ATOM 777 C GLY A 52 -2.017 -4.536 7.730 1.00 0.00 C ATOM 778 O GLY A 52 -2.039 -5.770 7.724 1.00 0.00 O ATOM 0 H GLY A 52 -3.332 -1.664 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.734 -3.431 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.964 -4.382 8.616 1.00 0.00 H new ATOM 782 N ILE A 53 -1.085 -3.814 7.099 1.00 0.00 N ATOM 783 CA ILE A 53 0.043 -4.379 6.331 1.00 0.00 C ATOM 784 C ILE A 53 1.353 -3.704 6.790 1.00 0.00 C ATOM 785 O ILE A 53 1.389 -3.098 7.864 1.00 0.00 O ATOM 786 CB ILE A 53 -0.168 -4.156 4.779 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.356 -2.628 4.452 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.357 -5.002 4.250 1.00 0.00 C ATOM 789 CD1 ILE A 53 -0.411 -2.297 2.974 1.00 0.00 C ATOM 0 H ILE A 53 -1.089 -2.794 7.105 1.00 0.00 H new ATOM 0 HA ILE A 53 0.097 -5.452 6.514 1.00 0.00 H new ATOM 0 HB ILE A 53 0.730 -4.496 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.276 -2.281 4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.464 -2.070 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.479 -4.829 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.158 -6.059 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.270 -4.713 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.542 -1.222 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.518 -2.608 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.249 -2.822 2.515 1.00 0.00 H new ATOM 801 N LYS A 54 2.445 -3.889 6.025 1.00 0.00 N ATOM 802 CA LYS A 54 3.636 -3.029 6.106 1.00 0.00 C ATOM 803 C LYS A 54 4.209 -2.851 4.699 1.00 0.00 C ATOM 804 O LYS A 54 4.489 -3.848 4.027 1.00 0.00 O ATOM 805 CB LYS A 54 4.728 -3.600 7.054 1.00 0.00 C ATOM 806 CG LYS A 54 5.792 -2.549 7.472 1.00 0.00 C ATOM 807 CD LYS A 54 7.078 -3.168 8.066 1.00 0.00 C ATOM 808 CE LYS A 54 7.954 -3.840 6.995 1.00 0.00 C ATOM 809 NZ LYS A 54 8.426 -2.865 5.973 1.00 0.00 N ATOM 0 H LYS A 54 2.525 -4.637 5.336 1.00 0.00 H new ATOM 0 HA LYS A 54 3.329 -2.071 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.250 -3.998 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.226 -4.435 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.057 -1.948 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.353 -1.872 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.654 -2.390 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.808 -3.903 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.814 -4.311 7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.387 -4.632 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.168 -3.304 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.630 -2.586 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.810 -2.023 6.448 1.00 0.00 H new ATOM 823 N LEU A 55 4.382 -1.596 4.264 1.00 0.00 N ATOM 824 CA LEU A 55 5.015 -1.277 2.982 1.00 0.00 C ATOM 825 C LEU A 55 6.543 -1.503 3.089 1.00 0.00 C ATOM 826 O LEU A 55 7.153 -1.055 4.066 1.00 0.00 O ATOM 827 CB LEU A 55 4.742 0.204 2.582 1.00 0.00 C ATOM 828 CG LEU A 55 3.248 0.651 2.450 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.151 2.142 2.048 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.460 -0.242 1.462 1.00 0.00 C ATOM 0 H LEU A 55 4.086 -0.775 4.792 1.00 0.00 H new ATOM 0 HA LEU A 55 4.593 -1.929 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.222 0.846 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.235 0.392 1.628 1.00 0.00 H new ATOM 0 HG LEU A 55 2.787 0.529 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.103 2.428 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.634 2.756 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.648 2.293 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.428 0.105 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.920 -0.186 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.476 -1.274 1.812 1.00 0.00 H new ATOM 842 N PRO A 56 7.174 -2.267 2.141 1.00 0.00 N ATOM 843 CA PRO A 56 8.640 -2.197 1.880 1.00 0.00 C ATOM 844 C PRO A 56 9.064 -0.808 1.334 1.00 0.00 C ATOM 845 O PRO A 56 9.725 -0.724 0.299 1.00 0.00 O ATOM 846 CB PRO A 56 8.876 -3.325 0.825 1.00 0.00 C ATOM 847 CG PRO A 56 7.685 -4.223 0.940 1.00 0.00 C ATOM 848 CD PRO A 56 6.534 -3.335 1.340 1.00 0.00 C ATOM 0 HA PRO A 56 9.233 -2.331 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.963 -2.912 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.799 -3.867 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.481 -4.724 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.854 -5.002 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.021 -2.928 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.791 -3.881 1.922 1.00 0.00 H new ATOM 856 N LEU A 57 8.736 0.267 2.084 1.00 0.00 N ATOM 857 CA LEU A 57 8.833 1.665 1.617 1.00 0.00 C ATOM 858 C LEU A 57 10.307 2.039 1.376 1.00 0.00 C ATOM 859 O LEU A 57 10.639 2.637 0.352 1.00 0.00 O ATOM 860 CB LEU A 57 8.155 2.612 2.671 1.00 0.00 C ATOM 861 CG LEU A 57 7.610 4.005 2.177 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.725 4.991 1.772 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.577 3.816 1.043 1.00 0.00 C ATOM 0 H LEU A 57 8.393 0.186 3.041 1.00 0.00 H new ATOM 0 HA LEU A 57 8.308 1.780 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.323 2.069 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.879 2.800 3.464 1.00 0.00 H new ATOM 0 HG LEU A 57 7.110 4.464 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.279 5.929 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.373 5.179 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.312 4.563 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.213 4.790 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.048 3.304 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.741 3.220 1.408 1.00 0.00 H new ATOM 875 N GLU A 58 11.170 1.636 2.332 1.00 0.00 N ATOM 876 CA GLU A 58 12.624 1.879 2.278 1.00 0.00 C ATOM 877 C GLU A 58 13.227 1.210 1.036 1.00 0.00 C ATOM 878 O GLU A 58 13.959 1.848 0.282 1.00 0.00 O ATOM 879 CB GLU A 58 13.309 1.336 3.556 1.00 0.00 C ATOM 880 CG GLU A 58 12.773 1.941 4.865 1.00 0.00 C ATOM 881 CD GLU A 58 13.376 1.270 6.107 1.00 0.00 C ATOM 882 OE1 GLU A 58 14.486 1.665 6.529 1.00 0.00 O ATOM 883 OE2 GLU A 58 12.762 0.320 6.641 1.00 0.00 O ATOM 0 H GLU A 58 10.874 1.130 3.167 1.00 0.00 H new ATOM 0 HA GLU A 58 12.794 2.954 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.182 0.254 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.380 1.530 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.995 3.008 4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.688 1.841 4.891 1.00 0.00 H new ATOM 890 N LYS A 59 12.832 -0.066 0.820 1.00 0.00 N ATOM 891 CA LYS A 59 13.268 -0.885 -0.336 1.00 0.00 C ATOM 892 C LYS A 59 12.959 -0.151 -1.648 1.00 0.00 C ATOM 893 O LYS A 59 13.820 -0.019 -2.517 1.00 0.00 O ATOM 894 CB LYS A 59 12.547 -2.266 -0.342 1.00 0.00 C ATOM 895 CG LYS A 59 12.798 -3.121 -1.608 1.00 0.00 C ATOM 896 CD LYS A 59 11.917 -4.382 -1.678 1.00 0.00 C ATOM 897 CE LYS A 59 12.112 -5.151 -2.995 1.00 0.00 C ATOM 898 NZ LYS A 59 11.277 -6.371 -3.055 1.00 0.00 N ATOM 0 H LYS A 59 12.197 -0.560 1.447 1.00 0.00 H new ATOM 0 HA LYS A 59 14.342 -1.047 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.869 -2.832 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.475 -2.101 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.616 -2.510 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.847 -3.417 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.153 -5.036 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.870 -4.098 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.864 -4.501 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.162 -5.425 -3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.439 -6.859 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.530 -7.004 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.273 -6.109 -2.978 1.00 0.00 H new ATOM 912 N TRP A 60 11.717 0.344 -1.732 1.00 0.00 N ATOM 913 CA TRP A 60 11.182 1.029 -2.913 1.00 0.00 C ATOM 914 C TRP A 60 11.954 2.327 -3.196 1.00 0.00 C ATOM 915 O TRP A 60 12.360 2.575 -4.332 1.00 0.00 O ATOM 916 CB TRP A 60 9.678 1.318 -2.698 1.00 0.00 C ATOM 917 CG TRP A 60 8.820 0.078 -2.587 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.115 -1.193 -3.024 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.511 0.002 -2.021 1.00 0.00 C ATOM 920 NE1 TRP A 60 8.070 -2.031 -2.757 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.079 -1.324 -2.152 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.672 0.928 -1.413 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.841 -1.742 -1.704 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.439 0.518 -0.974 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.033 -0.811 -1.119 1.00 0.00 C ATOM 0 H TRP A 60 11.045 0.278 -0.967 1.00 0.00 H new ATOM 0 HA TRP A 60 11.302 0.383 -3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.559 1.911 -1.791 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.314 1.926 -3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.036 -1.485 -3.507 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.038 -3.027 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.986 1.954 -1.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.524 -2.769 -1.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.774 1.231 -0.510 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.059 -1.108 -0.760 1.00 0.00 H new ATOM 936 N THR A 61 12.187 3.109 -2.130 1.00 0.00 N ATOM 937 CA THR A 61 12.932 4.378 -2.196 1.00 0.00 C ATOM 938 C THR A 61 14.398 4.139 -2.644 1.00 0.00 C ATOM 939 O THR A 61 14.990 4.975 -3.339 1.00 0.00 O ATOM 940 CB THR A 61 12.887 5.106 -0.807 1.00 0.00 C ATOM 941 OG1 THR A 61 11.517 5.273 -0.396 1.00 0.00 O ATOM 942 CG2 THR A 61 13.572 6.485 -0.838 1.00 0.00 C ATOM 0 H THR A 61 11.862 2.878 -1.191 1.00 0.00 H new ATOM 0 HA THR A 61 12.456 5.017 -2.940 1.00 0.00 H new ATOM 0 HB THR A 61 13.432 4.481 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.148 4.406 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.511 6.944 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.618 6.365 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.072 7.123 -1.566 1.00 0.00 H new ATOM 950 N GLN A 62 14.949 2.958 -2.291 1.00 0.00 N ATOM 951 CA GLN A 62 16.328 2.578 -2.638 1.00 0.00 C ATOM 952 C GLN A 62 16.413 2.155 -4.105 1.00 0.00 C ATOM 953 O GLN A 62 17.356 2.523 -4.786 1.00 0.00 O ATOM 954 CB GLN A 62 16.838 1.444 -1.712 1.00 0.00 C ATOM 955 CG GLN A 62 17.011 1.867 -0.246 1.00 0.00 C ATOM 956 CD GLN A 62 17.435 0.725 0.680 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.121 -0.437 0.436 1.00 0.00 O ATOM 958 NE2 GLN A 62 18.144 1.051 1.749 1.00 0.00 N ATOM 0 H GLN A 62 14.449 2.246 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 62 16.969 3.448 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.139 0.609 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.794 1.082 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.755 2.661 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.072 2.285 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.388 2.026 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.447 0.327 2.400 1.00 0.00 H new ATOM 967 N GLU A 63 15.405 1.393 -4.574 1.00 0.00 N ATOM 968 CA GLU A 63 15.304 0.950 -5.985 1.00 0.00 C ATOM 969 C GLU A 63 15.202 2.164 -6.925 1.00 0.00 C ATOM 970 O GLU A 63 15.816 2.188 -7.995 1.00 0.00 O ATOM 971 CB GLU A 63 14.085 0.006 -6.181 1.00 0.00 C ATOM 972 CG GLU A 63 14.194 -1.327 -5.422 1.00 0.00 C ATOM 973 CD GLU A 63 12.952 -2.228 -5.563 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.927 -1.955 -4.902 1.00 0.00 O ATOM 975 OE2 GLU A 63 13.003 -3.217 -6.328 1.00 0.00 O ATOM 0 H GLU A 63 14.637 1.066 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 63 16.208 0.395 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.182 0.524 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.968 -0.202 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.067 -1.870 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.362 -1.120 -4.365 1.00 0.00 H new ATOM 982 N VAL A 64 14.433 3.168 -6.486 1.00 0.00 N ATOM 983 CA VAL A 64 14.313 4.462 -7.170 1.00 0.00 C ATOM 984 C VAL A 64 15.698 5.137 -7.314 1.00 0.00 C ATOM 985 O VAL A 64 16.172 5.384 -8.432 1.00 0.00 O ATOM 986 CB VAL A 64 13.327 5.415 -6.391 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.383 6.860 -6.922 1.00 0.00 C ATOM 988 CG2 VAL A 64 11.884 4.880 -6.440 1.00 0.00 C ATOM 0 H VAL A 64 13.871 3.104 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 64 13.909 4.279 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 64 13.656 5.431 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.689 7.482 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.394 7.250 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.106 6.871 -7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.226 5.557 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.556 4.812 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.847 3.891 -5.983 1.00 0.00 H new ATOM 998 N ASN A 65 16.337 5.393 -6.163 1.00 0.00 N ATOM 999 CA ASN A 65 17.624 6.109 -6.077 1.00 0.00 C ATOM 1000 C ASN A 65 18.794 5.313 -6.691 1.00 0.00 C ATOM 1001 O ASN A 65 19.817 5.902 -7.053 1.00 0.00 O ATOM 1002 CB ASN A 65 17.911 6.478 -4.587 1.00 0.00 C ATOM 1003 CG ASN A 65 17.048 7.645 -4.072 1.00 0.00 C ATOM 1004 OD1 ASN A 65 16.872 8.644 -4.768 1.00 0.00 O ATOM 1005 ND2 ASN A 65 16.478 7.516 -2.877 1.00 0.00 N ATOM 0 H ASN A 65 15.973 5.107 -5.254 1.00 0.00 H new ATOM 0 HA ASN A 65 17.541 7.020 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.735 5.602 -3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.964 6.739 -4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.877 8.257 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.642 6.676 -2.322 1.00 0.00 H new ATOM 1012 N ASP A 66 18.645 3.983 -6.808 1.00 0.00 N ATOM 1013 CA ASP A 66 19.685 3.089 -7.373 1.00 0.00 C ATOM 1014 C ASP A 66 19.538 2.950 -8.905 1.00 0.00 C ATOM 1015 O ASP A 66 20.432 2.421 -9.574 1.00 0.00 O ATOM 1016 CB ASP A 66 19.598 1.696 -6.679 1.00 0.00 C ATOM 1017 CG ASP A 66 20.776 0.755 -6.996 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.865 0.929 -6.413 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.622 -0.167 -7.817 1.00 0.00 O ATOM 0 H ASP A 66 17.801 3.491 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 66 20.665 3.527 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.546 1.843 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.669 1.211 -6.980 1.00 0.00 H new ATOM 1024 N GLY A 67 18.432 3.479 -9.466 1.00 0.00 N ATOM 1025 CA GLY A 67 18.130 3.330 -10.899 1.00 0.00 C ATOM 1026 C GLY A 67 17.509 1.985 -11.282 1.00 0.00 C ATOM 1027 O GLY A 67 17.351 1.700 -12.473 1.00 0.00 O ATOM 0 H GLY A 67 17.735 4.013 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.450 4.128 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.050 3.465 -11.467 1.00 0.00 H new ATOM 1031 N LYS A 68 17.153 1.158 -10.279 1.00 0.00 N ATOM 1032 CA LYS A 68 16.420 -0.111 -10.506 1.00 0.00 C ATOM 1033 C LYS A 68 14.985 0.168 -10.994 1.00 0.00 C ATOM 1034 O LYS A 68 14.430 -0.588 -11.794 1.00 0.00 O ATOM 1035 CB LYS A 68 16.376 -0.962 -9.211 1.00 0.00 C ATOM 1036 CG LYS A 68 17.731 -1.545 -8.771 1.00 0.00 C ATOM 1037 CD LYS A 68 18.334 -2.501 -9.823 1.00 0.00 C ATOM 1038 CE LYS A 68 19.652 -3.145 -9.368 1.00 0.00 C ATOM 1039 NZ LYS A 68 20.236 -4.007 -10.423 1.00 0.00 N ATOM 0 H LYS A 68 17.361 1.344 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 68 16.953 -0.670 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.982 -0.346 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.674 -1.783 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.430 -0.730 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.604 -2.080 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.612 -3.286 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.506 -1.951 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.364 -2.365 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.476 -3.738 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.124 -4.424 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.567 -4.767 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.427 -3.436 -11.271 1.00 0.00 H new ATOM 1053 N ALA A 69 14.413 1.269 -10.495 1.00 0.00 N ATOM 1054 CA ALA A 69 13.044 1.701 -10.805 1.00 0.00 C ATOM 1055 C ALA A 69 12.994 3.226 -10.901 1.00 0.00 C ATOM 1056 O ALA A 69 13.920 3.912 -10.441 1.00 0.00 O ATOM 1057 CB ALA A 69 12.082 1.194 -9.725 1.00 0.00 C ATOM 0 H ALA A 69 14.896 1.897 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 69 12.738 1.282 -11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.068 1.517 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.116 0.105 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.376 1.598 -8.757 1.00 0.00 H new ATOM 1063 N THR A 70 11.922 3.745 -11.511 1.00 0.00 N ATOM 1064 CA THR A 70 11.697 5.187 -11.647 1.00 0.00 C ATOM 1065 C THR A 70 11.130 5.770 -10.345 1.00 0.00 C ATOM 1066 O THR A 70 10.582 5.030 -9.507 1.00 0.00 O ATOM 1067 CB THR A 70 10.713 5.487 -12.825 1.00 0.00 C ATOM 1068 OG1 THR A 70 9.460 4.815 -12.598 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.294 5.051 -14.183 1.00 0.00 C ATOM 0 H THR A 70 11.185 3.174 -11.925 1.00 0.00 H new ATOM 0 HA THR A 70 12.658 5.656 -11.860 1.00 0.00 H new ATOM 0 HB THR A 70 10.557 6.565 -12.858 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.906 4.874 -13.405 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.579 5.277 -14.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.224 5.588 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.491 3.979 -14.167 1.00 0.00 H new ATOM 1077 N THR A 71 11.249 7.102 -10.196 1.00 0.00 N ATOM 1078 CA THR A 71 10.638 7.845 -9.093 1.00 0.00 C ATOM 1079 C THR A 71 9.103 7.679 -9.147 1.00 0.00 C ATOM 1080 O THR A 71 8.465 7.392 -8.133 1.00 0.00 O ATOM 1081 CB THR A 71 11.020 9.359 -9.172 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.593 9.891 -10.432 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.530 9.603 -9.020 1.00 0.00 C ATOM 0 H THR A 71 11.775 7.690 -10.843 1.00 0.00 H new ATOM 0 HA THR A 71 11.011 7.448 -8.149 1.00 0.00 H new ATOM 0 HB THR A 71 10.520 9.858 -8.342 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.830 10.841 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.734 10.672 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.864 9.226 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.064 9.084 -9.816 1.00 0.00 H new ATOM 1091 N GLU A 72 8.559 7.895 -10.364 1.00 0.00 N ATOM 1092 CA GLU A 72 7.160 7.607 -10.748 1.00 0.00 C ATOM 1093 C GLU A 72 6.603 6.322 -10.087 1.00 0.00 C ATOM 1094 O GLU A 72 5.664 6.378 -9.278 1.00 0.00 O ATOM 1095 CB GLU A 72 7.067 7.443 -12.296 1.00 0.00 C ATOM 1096 CG GLU A 72 7.745 8.548 -13.124 1.00 0.00 C ATOM 1097 CD GLU A 72 7.699 8.268 -14.637 1.00 0.00 C ATOM 1098 OE1 GLU A 72 8.538 7.481 -15.127 1.00 0.00 O ATOM 1099 OE2 GLU A 72 6.813 8.811 -15.334 1.00 0.00 O ATOM 0 H GLU A 72 9.101 8.289 -11.133 1.00 0.00 H new ATOM 0 HA GLU A 72 6.561 8.449 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.510 6.485 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.015 7.398 -12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.257 9.501 -12.920 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.784 8.648 -12.808 1.00 0.00 H new ATOM 1106 N GLN A 73 7.258 5.191 -10.409 1.00 0.00 N ATOM 1107 CA GLN A 73 6.786 3.835 -10.054 1.00 0.00 C ATOM 1108 C GLN A 73 6.524 3.675 -8.542 1.00 0.00 C ATOM 1109 O GLN A 73 5.608 2.948 -8.130 1.00 0.00 O ATOM 1110 CB GLN A 73 7.795 2.757 -10.525 1.00 0.00 C ATOM 1111 CG GLN A 73 7.362 1.303 -10.229 1.00 0.00 C ATOM 1112 CD GLN A 73 8.296 0.246 -10.807 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.244 -0.189 -10.161 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.019 -0.184 -12.027 1.00 0.00 N ATOM 0 H GLN A 73 8.137 5.190 -10.927 1.00 0.00 H new ATOM 0 HA GLN A 73 5.837 3.696 -10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.949 2.866 -11.599 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.756 2.942 -10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.300 1.166 -9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.360 1.145 -10.629 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.222 0.201 -12.535 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.602 -0.900 -12.460 1.00 0.00 H new ATOM 1123 N TYR A 74 7.315 4.370 -7.712 1.00 0.00 N ATOM 1124 CA TYR A 74 7.242 4.209 -6.250 1.00 0.00 C ATOM 1125 C TYR A 74 6.859 5.487 -5.487 1.00 0.00 C ATOM 1126 O TYR A 74 6.818 5.451 -4.243 1.00 0.00 O ATOM 1127 CB TYR A 74 8.561 3.618 -5.711 1.00 0.00 C ATOM 1128 CG TYR A 74 8.820 2.148 -6.094 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.813 1.176 -5.986 1.00 0.00 C ATOM 1130 CD2 TYR A 74 10.077 1.719 -6.522 1.00 0.00 C ATOM 1131 CE1 TYR A 74 8.060 -0.146 -6.287 1.00 0.00 C ATOM 1132 CE2 TYR A 74 10.323 0.395 -6.807 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.315 -0.527 -6.696 1.00 0.00 C ATOM 1134 OH TYR A 74 9.573 -1.848 -6.963 1.00 0.00 O ATOM 0 H TYR A 74 8.011 5.047 -8.025 1.00 0.00 H new ATOM 0 HA TYR A 74 6.424 3.513 -6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.390 4.224 -6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.561 3.700 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.826 1.470 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.873 2.441 -6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.271 -0.879 -6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.309 0.083 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 74 10.322 -2.153 -6.410 1.00 0.00 H new ATOM 1144 N PHE A 75 6.540 6.602 -6.170 1.00 0.00 N ATOM 1145 CA PHE A 75 6.104 7.840 -5.476 1.00 0.00 C ATOM 1146 C PHE A 75 4.853 8.481 -6.107 1.00 0.00 C ATOM 1147 O PHE A 75 4.463 9.560 -5.684 1.00 0.00 O ATOM 1148 CB PHE A 75 7.263 8.872 -5.410 1.00 0.00 C ATOM 1149 CG PHE A 75 8.478 8.442 -4.583 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.352 8.168 -3.220 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.747 8.331 -5.158 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.448 7.796 -2.463 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.842 7.964 -4.399 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.692 7.695 -3.054 1.00 0.00 C ATOM 0 H PHE A 75 6.573 6.677 -7.187 1.00 0.00 H new ATOM 0 HA PHE A 75 5.828 7.541 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.594 9.087 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.875 9.803 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.383 8.248 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.874 8.535 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.331 7.585 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.816 7.888 -4.859 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.548 7.405 -2.463 1.00 0.00 H new ATOM 1164 N VAL A 76 4.185 7.814 -7.070 1.00 0.00 N ATOM 1165 CA VAL A 76 2.893 8.319 -7.613 1.00 0.00 C ATOM 1166 C VAL A 76 1.755 7.572 -6.902 1.00 0.00 C ATOM 1167 O VAL A 76 1.849 6.362 -6.686 1.00 0.00 O ATOM 1168 CB VAL A 76 2.770 8.192 -9.182 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.368 8.619 -9.702 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.866 9.031 -9.880 1.00 0.00 C ATOM 0 H VAL A 76 4.505 6.940 -7.486 1.00 0.00 H new ATOM 0 HA VAL A 76 2.836 9.390 -7.417 1.00 0.00 H new ATOM 0 HB VAL A 76 2.905 7.138 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.334 8.514 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.604 7.985 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.181 9.659 -9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.767 8.932 -10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.756 10.079 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.849 8.674 -9.572 1.00 0.00 H new ATOM 1180 N LEU A 77 0.707 8.323 -6.526 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.380 7.854 -5.642 1.00 0.00 C ATOM 1182 C LEU A 77 -1.200 6.692 -6.226 1.00 0.00 C ATOM 1183 O LEU A 77 -1.758 5.897 -5.461 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.305 9.032 -5.282 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.595 10.279 -4.672 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.613 11.362 -4.287 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.324 9.898 -3.481 1.00 0.00 C ATOM 0 H LEU A 77 0.587 9.289 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 77 0.099 7.461 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.837 9.342 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.055 8.680 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 77 0.052 10.697 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.090 12.220 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.165 11.674 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.309 10.962 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.799 10.796 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.271 9.428 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.091 9.202 -3.821 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.279 6.592 -7.570 1.00 0.00 N ATOM 1200 CA LYS A 78 -1.957 5.452 -8.234 1.00 0.00 C ATOM 1201 C LYS A 78 -1.151 4.158 -7.986 1.00 0.00 C ATOM 1202 O LYS A 78 -1.711 3.095 -7.690 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.132 5.709 -9.762 1.00 0.00 C ATOM 1204 CG LYS A 78 -0.818 5.750 -10.580 1.00 0.00 C ATOM 1205 CD LYS A 78 -1.039 5.995 -12.087 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.611 7.387 -12.384 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.880 7.582 -13.826 1.00 0.00 N ATOM 0 H LYS A 78 -0.886 7.279 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.954 5.342 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.773 4.930 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.655 6.656 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.176 6.536 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.287 4.807 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.092 5.877 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.718 5.237 -12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.534 7.527 -11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.910 8.148 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.969 8.598 -14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.096 7.185 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.765 7.100 -14.082 1.00 0.00 H new ATOM 1221 N ASN A 79 0.185 4.303 -8.061 1.00 0.00 N ATOM 1222 CA ASN A 79 1.145 3.209 -7.865 1.00 0.00 C ATOM 1223 C ASN A 79 1.219 2.842 -6.380 1.00 0.00 C ATOM 1224 O ASN A 79 1.423 1.683 -6.033 1.00 0.00 O ATOM 1225 CB ASN A 79 2.549 3.614 -8.390 1.00 0.00 C ATOM 1226 CG ASN A 79 2.585 3.906 -9.893 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.846 3.314 -10.673 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.443 4.815 -10.309 1.00 0.00 N ATOM 0 H ASN A 79 0.631 5.198 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 79 0.806 2.340 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.888 4.498 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.255 2.814 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.505 5.042 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.046 5.292 -9.639 1.00 0.00 H new ATOM 1235 N LEU A 80 1.048 3.856 -5.508 1.00 0.00 N ATOM 1236 CA LEU A 80 1.022 3.668 -4.048 1.00 0.00 C ATOM 1237 C LEU A 80 -0.198 2.833 -3.659 1.00 0.00 C ATOM 1238 O LEU A 80 -0.065 1.829 -2.963 1.00 0.00 O ATOM 1239 CB LEU A 80 1.030 5.036 -3.312 1.00 0.00 C ATOM 1240 CG LEU A 80 1.104 4.985 -1.749 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.344 4.192 -1.257 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.082 6.414 -1.153 1.00 0.00 C ATOM 0 H LEU A 80 0.924 4.826 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 80 1.921 3.132 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.879 5.615 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.129 5.581 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 80 0.221 4.453 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.359 4.180 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.294 3.169 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.251 4.669 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.134 6.356 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.936 6.978 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.160 6.916 -1.445 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.358 3.210 -4.220 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.638 2.522 -3.991 1.00 0.00 C ATOM 1256 C ALA A 81 -2.591 1.077 -4.521 1.00 0.00 C ATOM 1257 O ALA A 81 -3.218 0.178 -3.956 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.785 3.311 -4.649 1.00 0.00 C ATOM 0 H ALA A 81 -1.434 4.008 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.818 2.474 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.729 2.794 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.833 4.311 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.606 3.387 -5.721 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.795 0.872 -5.589 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.598 -0.444 -6.213 1.00 0.00 C ATOM 1266 C ALA A 82 -0.746 -1.360 -5.308 1.00 0.00 C ATOM 1267 O ALA A 82 -1.086 -2.522 -5.100 1.00 0.00 O ATOM 1268 CB ALA A 82 -0.924 -0.275 -7.582 1.00 0.00 C ATOM 0 H ALA A 82 -1.270 1.620 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.573 -0.913 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.780 -1.254 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.556 0.338 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.043 0.211 -7.454 1.00 0.00 H new ATOM 1274 N ARG A 83 0.358 -0.797 -4.773 1.00 0.00 N ATOM 1275 CA ARG A 83 1.338 -1.529 -3.932 1.00 0.00 C ATOM 1276 C ARG A 83 0.741 -1.947 -2.579 1.00 0.00 C ATOM 1277 O ARG A 83 1.040 -3.033 -2.057 1.00 0.00 O ATOM 1278 CB ARG A 83 2.604 -0.664 -3.719 1.00 0.00 C ATOM 1279 CG ARG A 83 3.493 -0.508 -4.977 1.00 0.00 C ATOM 1280 CD ARG A 83 4.602 0.523 -4.777 1.00 0.00 C ATOM 1281 NE ARG A 83 4.065 1.888 -4.611 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.748 2.934 -4.131 1.00 0.00 C ATOM 1283 NH1 ARG A 83 5.960 2.788 -3.636 1.00 0.00 N ATOM 1284 NH2 ARG A 83 4.215 4.143 -4.172 1.00 0.00 N ATOM 0 H ARG A 83 0.599 0.184 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 83 1.608 -2.443 -4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.300 0.326 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.200 -1.105 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.936 -1.472 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.873 -0.212 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.191 0.256 -3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.277 0.500 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 83 3.095 2.047 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.394 1.865 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.464 3.598 -3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.285 4.277 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.734 4.942 -3.807 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.102 -1.071 -2.027 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.887 -1.356 -0.817 1.00 0.00 C ATOM 1300 C ILE A 84 -1.805 -2.558 -1.094 1.00 0.00 C ATOM 1301 O ILE A 84 -1.790 -3.552 -0.368 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.747 -0.102 -0.422 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.823 1.105 -0.066 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.730 -0.417 0.731 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -1.547 2.428 0.085 1.00 0.00 C ATOM 0 H ILE A 84 -0.262 -0.138 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.215 -1.587 0.010 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.351 0.172 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.300 0.884 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.065 1.207 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.305 0.477 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.408 -1.213 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.170 -0.737 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.829 3.210 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.048 2.678 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.286 2.349 0.882 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.539 -2.448 -2.211 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.518 -3.445 -2.670 1.00 0.00 C ATOM 1319 C ASP A 85 -2.855 -4.823 -2.966 1.00 0.00 C ATOM 1320 O ASP A 85 -3.492 -5.870 -2.799 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.242 -2.870 -3.914 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.377 -3.756 -4.450 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.429 -3.864 -3.782 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.227 -4.344 -5.544 1.00 0.00 O ATOM 0 H ASP A 85 -2.467 -1.644 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.243 -3.636 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.649 -1.891 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.510 -2.717 -4.707 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.565 -4.800 -3.385 1.00 0.00 N ATOM 1330 CA GLU A 86 -0.742 -6.020 -3.553 1.00 0.00 C ATOM 1331 C GLU A 86 -0.587 -6.748 -2.207 1.00 0.00 C ATOM 1332 O GLU A 86 -0.862 -7.946 -2.101 1.00 0.00 O ATOM 1333 CB GLU A 86 0.668 -5.685 -4.131 1.00 0.00 C ATOM 1334 CG GLU A 86 0.685 -5.154 -5.579 1.00 0.00 C ATOM 1335 CD GLU A 86 2.110 -4.923 -6.125 1.00 0.00 C ATOM 1336 OE1 GLU A 86 2.740 -3.912 -5.764 1.00 0.00 O ATOM 1337 OE2 GLU A 86 2.613 -5.760 -6.905 1.00 0.00 O ATOM 0 H GLU A 86 -1.070 -3.938 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.257 -6.668 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.139 -4.944 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.283 -6.584 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.166 -5.862 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.130 -4.217 -5.622 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.159 -5.991 -1.183 1.00 0.00 N ATOM 1345 CA LEU A 87 0.111 -6.532 0.169 1.00 0.00 C ATOM 1346 C LEU A 87 -1.186 -6.962 0.886 1.00 0.00 C ATOM 1347 O LEU A 87 -1.181 -7.908 1.685 1.00 0.00 O ATOM 1348 CB LEU A 87 0.870 -5.480 1.004 1.00 0.00 C ATOM 1349 CG LEU A 87 2.246 -5.032 0.418 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.819 -3.853 1.207 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.255 -6.211 0.353 1.00 0.00 C ATOM 0 H LEU A 87 0.011 -4.988 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 87 0.727 -7.424 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.236 -4.600 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.033 -5.882 2.004 1.00 0.00 H new ATOM 0 HG LEU A 87 2.074 -4.700 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.778 -3.560 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.127 -3.012 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.961 -4.146 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.200 -5.859 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.421 -6.603 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.853 -7.000 -0.283 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.294 -6.268 0.567 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.624 -6.549 1.140 1.00 0.00 C ATOM 1365 C VAL A 88 -4.184 -7.863 0.551 1.00 0.00 C ATOM 1366 O VAL A 88 -4.785 -8.665 1.269 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.615 -5.342 0.891 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.078 -5.702 1.257 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.148 -4.083 1.675 1.00 0.00 C ATOM 0 H VAL A 88 -2.292 -5.494 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.522 -6.669 2.219 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.595 -5.121 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.722 -4.843 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.409 -6.543 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.133 -5.973 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.842 -3.262 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.124 -4.307 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.151 -3.796 1.342 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.944 -8.074 -0.757 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.348 -9.303 -1.476 1.00 0.00 C ATOM 1381 C ALA A 89 -3.541 -10.513 -0.982 1.00 0.00 C ATOM 1382 O ALA A 89 -4.098 -11.581 -0.705 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.162 -9.119 -2.989 1.00 0.00 C ATOM 0 H ALA A 89 -3.463 -7.397 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.402 -9.489 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.463 -10.030 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.777 -8.287 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.114 -8.909 -3.204 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.219 -10.306 -0.851 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.278 -11.326 -0.351 1.00 0.00 C ATOM 1391 C ALA A 90 -1.610 -11.726 1.105 1.00 0.00 C ATOM 1392 O ALA A 90 -1.404 -12.876 1.502 1.00 0.00 O ATOM 1393 CB ALA A 90 0.164 -10.803 -0.456 1.00 0.00 C ATOM 0 H ALA A 90 -1.770 -9.422 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.376 -12.219 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.854 -11.561 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.395 -10.580 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.267 -9.896 0.140 1.00 0.00 H new ATOM 1399 N LYS A 91 -2.164 -10.763 1.870 1.00 0.00 N ATOM 1400 CA LYS A 91 -2.521 -10.954 3.288 1.00 0.00 C ATOM 1401 C LYS A 91 -3.896 -11.638 3.407 1.00 0.00 C ATOM 1402 O LYS A 91 -4.049 -12.628 4.131 1.00 0.00 O ATOM 1403 CB LYS A 91 -2.565 -9.584 4.019 1.00 0.00 C ATOM 1404 CG LYS A 91 -2.959 -9.656 5.518 1.00 0.00 C ATOM 1405 CD LYS A 91 -3.248 -8.270 6.138 1.00 0.00 C ATOM 1406 CE LYS A 91 -4.417 -7.535 5.445 1.00 0.00 C ATOM 1407 NZ LYS A 91 -4.798 -6.300 6.158 1.00 0.00 N ATOM 0 H LYS A 91 -2.376 -9.829 1.519 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.763 -11.587 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.585 -9.114 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.273 -8.936 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.842 -10.286 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.155 -10.136 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.478 -8.392 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.350 -7.655 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.134 -7.289 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.279 -8.200 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.834 -6.241 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.393 -6.313 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.435 -5.474 5.640 1.00 0.00 H new ATOM 1421 N GLY A 92 -4.863 -11.128 2.627 1.00 0.00 N ATOM 1422 CA GLY A 92 -6.284 -11.434 2.814 1.00 0.00 C ATOM 1423 C GLY A 92 -6.658 -12.781 2.226 1.00 0.00 C ATOM 1424 O GLY A 92 -7.406 -13.555 2.836 1.00 0.00 O ATOM 0 H GLY A 92 -4.678 -10.493 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.520 -11.425 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.887 -10.655 2.348 1.00 0.00 H new ATOM 1428 N ALA A 93 -6.106 -13.066 1.040 1.00 0.00 N ATOM 1429 CA ALA A 93 -6.278 -14.356 0.355 1.00 0.00 C ATOM 1430 C ALA A 93 -5.177 -15.355 0.786 1.00 0.00 C ATOM 1431 O ALA A 93 -5.107 -16.470 0.247 1.00 0.00 O ATOM 1432 CB ALA A 93 -6.266 -14.133 -1.168 1.00 0.00 C ATOM 0 H ALA A 93 -5.524 -12.405 0.525 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.238 -14.788 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.393 -15.089 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.081 -13.463 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.315 -13.689 -1.463 1.00 0.00 H new ATOM 1438 N LEU A 94 -4.315 -14.933 1.764 1.00 0.00 N ATOM 1439 CA LEU A 94 -3.197 -15.743 2.313 1.00 0.00 C ATOM 1440 C LEU A 94 -2.155 -16.066 1.221 1.00 0.00 C ATOM 1441 O LEU A 94 -2.207 -15.507 0.131 1.00 0.00 O ATOM 1442 CB LEU A 94 -3.733 -17.041 3.004 1.00 0.00 C ATOM 1443 CG LEU A 94 -4.798 -16.826 4.129 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -5.262 -18.167 4.738 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -4.289 -15.863 5.223 1.00 0.00 C ATOM 0 H LEU A 94 -4.385 -14.010 2.192 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.693 -15.150 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.166 -17.684 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.886 -17.579 3.430 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.665 -16.360 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.002 -17.977 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.706 -18.786 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.406 -18.686 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.058 -15.740 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.388 -16.274 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.061 -14.894 4.778 1.00 0.00 H new ATOM 1457 N GLU A 95 -1.203 -16.978 1.524 1.00 0.00 N ATOM 1458 CA GLU A 95 -0.231 -17.502 0.527 1.00 0.00 C ATOM 1459 C GLU A 95 -0.908 -18.467 -0.479 1.00 0.00 C ATOM 1460 O GLU A 95 -0.268 -18.951 -1.416 1.00 0.00 O ATOM 1461 CB GLU A 95 0.943 -18.205 1.256 1.00 0.00 C ATOM 1462 CG GLU A 95 1.806 -17.255 2.108 1.00 0.00 C ATOM 1463 CD GLU A 95 2.864 -17.981 2.959 1.00 0.00 C ATOM 1464 OE1 GLU A 95 3.937 -18.336 2.422 1.00 0.00 O ATOM 1465 OE2 GLU A 95 2.629 -18.206 4.166 1.00 0.00 O ATOM 0 H GLU A 95 -1.084 -17.371 2.458 1.00 0.00 H new ATOM 0 HA GLU A 95 0.157 -16.659 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.542 -18.990 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.578 -18.692 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.306 -16.544 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.156 -16.678 2.766 1.00 0.00 H new ATOM 1472 N HIS A 96 -2.211 -18.726 -0.266 1.00 0.00 N ATOM 1473 CA HIS A 96 -3.045 -19.581 -1.127 1.00 0.00 C ATOM 1474 C HIS A 96 -3.824 -18.702 -2.149 1.00 0.00 C ATOM 1475 O HIS A 96 -4.876 -19.105 -2.645 1.00 0.00 O ATOM 1476 CB HIS A 96 -4.014 -20.392 -0.204 1.00 0.00 C ATOM 1477 CG HIS A 96 -4.640 -21.633 -0.815 1.00 0.00 C ATOM 1478 ND1 HIS A 96 -4.110 -22.893 -0.651 1.00 0.00 N ATOM 1479 CD2 HIS A 96 -5.772 -21.807 -1.545 1.00 0.00 C ATOM 1480 CE1 HIS A 96 -4.878 -23.780 -1.248 1.00 0.00 C ATOM 1481 NE2 HIS A 96 -5.894 -23.147 -1.798 1.00 0.00 N ATOM 0 H HIS A 96 -2.723 -18.338 0.526 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.432 -20.276 -1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.466 -20.689 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -4.815 -19.728 0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -6.451 -21.031 -1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -4.705 -24.845 -1.281 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -6.649 -23.584 -2.327 1.00 0.00 H new ATOM 1490 N HIS A 97 -3.284 -17.499 -2.467 1.00 0.00 N ATOM 1491 CA HIS A 97 -3.945 -16.522 -3.368 1.00 0.00 C ATOM 1492 C HIS A 97 -3.976 -17.016 -4.840 1.00 0.00 C ATOM 1493 O HIS A 97 -3.148 -16.641 -5.669 1.00 0.00 O ATOM 1494 CB HIS A 97 -3.313 -15.088 -3.230 1.00 0.00 C ATOM 1495 CG HIS A 97 -1.793 -15.004 -3.278 1.00 0.00 C ATOM 1496 ND1 HIS A 97 -1.033 -14.633 -2.189 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -0.906 -15.195 -4.288 1.00 0.00 C ATOM 1498 CE1 HIS A 97 0.239 -14.614 -2.520 1.00 0.00 C ATOM 1499 NE2 HIS A 97 0.344 -14.949 -3.787 1.00 0.00 N ATOM 0 H HIS A 97 -2.384 -17.180 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.984 -16.441 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -3.714 -14.461 -4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.648 -14.658 -2.286 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -1.402 -14.407 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.143 -15.487 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.059 -14.365 -1.863 1.00 0.00 H new ATOM 1508 N HIS A 98 -4.952 -17.898 -5.132 1.00 0.00 N ATOM 1509 CA HIS A 98 -5.205 -18.434 -6.489 1.00 0.00 C ATOM 1510 C HIS A 98 -5.838 -17.331 -7.362 1.00 0.00 C ATOM 1511 O HIS A 98 -5.670 -17.292 -8.585 1.00 0.00 O ATOM 1512 CB HIS A 98 -6.133 -19.672 -6.386 1.00 0.00 C ATOM 1513 CG HIS A 98 -6.318 -20.437 -7.671 1.00 0.00 C ATOM 1514 ND1 HIS A 98 -7.468 -20.383 -8.432 1.00 0.00 N ATOM 1515 CD2 HIS A 98 -5.493 -21.299 -8.308 1.00 0.00 C ATOM 1516 CE1 HIS A 98 -7.343 -21.180 -9.472 1.00 0.00 C ATOM 1517 NE2 HIS A 98 -6.155 -21.745 -9.423 1.00 0.00 N ATOM 0 H HIS A 98 -5.594 -18.263 -4.428 1.00 0.00 H new ATOM 0 HA HIS A 98 -4.270 -18.745 -6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.729 -20.348 -5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.111 -19.346 -6.031 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.499 -21.583 -7.997 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.089 -21.343 -10.236 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.786 -22.408 -10.105 1.00 0.00 H new ATOM 1526 N HIS A 99 -6.577 -16.450 -6.685 1.00 0.00 N ATOM 1527 CA HIS A 99 -7.105 -15.203 -7.237 1.00 0.00 C ATOM 1528 C HIS A 99 -6.861 -14.124 -6.164 1.00 0.00 C ATOM 1529 O HIS A 99 -7.059 -14.385 -4.972 1.00 0.00 O ATOM 1530 CB HIS A 99 -8.618 -15.354 -7.578 1.00 0.00 C ATOM 1531 CG HIS A 99 -9.147 -14.372 -8.605 1.00 0.00 C ATOM 1532 ND1 HIS A 99 -9.717 -14.779 -9.793 1.00 0.00 N ATOM 1533 CD2 HIS A 99 -9.199 -13.011 -8.619 1.00 0.00 C ATOM 1534 CE1 HIS A 99 -10.096 -13.728 -10.489 1.00 0.00 C ATOM 1535 NE2 HIS A 99 -9.792 -12.643 -9.801 1.00 0.00 N ATOM 0 H HIS A 99 -6.832 -16.590 -5.707 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.612 -14.931 -8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.793 -16.366 -7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -9.194 -15.241 -6.660 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.841 -12.347 -7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.574 -13.750 -11.457 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -9.969 -11.684 -10.100 1.00 0.00 H new ATOM 1544 N HIS A 100 -6.430 -12.922 -6.578 1.00 0.00 N ATOM 1545 CA HIS A 100 -6.004 -11.849 -5.636 1.00 0.00 C ATOM 1546 C HIS A 100 -7.207 -11.041 -5.061 1.00 0.00 C ATOM 1547 O HIS A 100 -7.098 -9.832 -4.840 1.00 0.00 O ATOM 1548 CB HIS A 100 -4.965 -10.910 -6.335 1.00 0.00 C ATOM 1549 CG HIS A 100 -5.468 -10.183 -7.565 1.00 0.00 C ATOM 1550 ND1 HIS A 100 -6.181 -9.006 -7.500 1.00 0.00 N ATOM 1551 CD2 HIS A 100 -5.338 -10.459 -8.885 1.00 0.00 C ATOM 1552 CE1 HIS A 100 -6.454 -8.585 -8.715 1.00 0.00 C ATOM 1553 NE2 HIS A 100 -5.955 -9.450 -9.573 1.00 0.00 N ATOM 0 H HIS A 100 -6.363 -12.658 -7.561 1.00 0.00 H new ATOM 0 HA HIS A 100 -5.529 -12.329 -4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -4.625 -10.170 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -4.095 -11.504 -6.616 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -6.456 -8.533 -6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -4.840 -11.316 -9.314 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -6.995 -7.684 -8.966 1.00 0.00 H new ATOM 1562 N HIS A 101 -8.327 -11.728 -4.756 1.00 0.00 N ATOM 1563 CA HIS A 101 -9.549 -11.094 -4.226 1.00 0.00 C ATOM 1564 C HIS A 101 -10.300 -12.125 -3.350 1.00 0.00 C ATOM 1565 O HIS A 101 -11.061 -12.952 -3.898 1.00 0.00 O ATOM 1566 CB HIS A 101 -10.433 -10.549 -5.388 1.00 0.00 C ATOM 1567 CG HIS A 101 -11.632 -9.765 -4.943 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -12.880 -10.325 -4.790 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -11.765 -8.458 -4.615 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -13.730 -9.400 -4.399 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -13.080 -8.259 -4.285 1.00 0.00 N ATOM 1572 OXT HIS A 101 -10.095 -12.133 -2.117 1.00 0.00 O ATOM 0 H HIS A 101 -8.408 -12.738 -4.871 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.291 -10.235 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.819 -9.917 -6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.769 -11.389 -5.996 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.983 -7.713 -4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.782 -9.550 -4.204 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.490 -7.370 -3.997 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 13.472 10.565 -0.425 1.00 0.00 P HETATM 1583 O25 PNS A 102 13.035 11.010 -1.752 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.578 9.592 -0.309 1.00 0.00 O HETATM 1585 O27 PNS A 102 13.659 11.829 0.586 1.00 0.00 O HETATM 1586 C28 PNS A 102 14.548 12.947 0.339 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.082 12.685 0.653 1.00 0.00 C HETATM 1588 C30 PNS A 102 16.196 11.953 2.034 1.00 0.00 C HETATM 1589 C31 PNS A 102 16.819 14.065 0.735 1.00 0.00 C HETATM 1590 C32 PNS A 102 16.743 11.790 -0.483 1.00 0.00 C HETATM 1591 O33 PNS A 102 16.663 12.457 -1.754 1.00 0.00 O HETATM 1592 C34 PNS A 102 18.221 11.472 -0.192 1.00 0.00 C HETATM 1593 O35 PNS A 102 18.535 10.480 0.467 1.00 0.00 O HETATM 1594 N36 PNS A 102 19.118 12.345 -0.677 1.00 0.00 N HETATM 1595 C37 PNS A 102 20.572 12.196 -0.492 1.00 0.00 C HETATM 1596 C38 PNS A 102 21.371 13.062 -1.475 1.00 0.00 C HETATM 1597 C39 PNS A 102 21.189 12.637 -2.941 1.00 0.00 C HETATM 1598 O40 PNS A 102 22.143 12.192 -3.594 1.00 0.00 O HETATM 1599 N41 PNS A 102 19.948 12.770 -3.453 1.00 0.00 N HETATM 1600 C42 PNS A 102 19.611 12.400 -4.835 1.00 0.00 C HETATM 1601 C43 PNS A 102 18.142 12.658 -5.147 1.00 0.00 C HETATM 1602 S44 PNS A 102 17.727 12.270 -6.856 1.00 0.00 S HETATM 0 H432 PNS A 102 17.521 12.060 -4.480 1.00 0.00 H new HETATM 0 H431 PNS A 102 17.909 13.704 -4.947 1.00 0.00 H new HETATM 0 H422 PNS A 102 19.837 11.346 -4.995 1.00 0.00 H new HETATM 0 H421 PNS A 102 20.235 12.968 -5.526 1.00 0.00 H new HETATM 0 H382 PNS A 102 22.429 13.011 -1.217 1.00 0.00 H new HETATM 0 H381 PNS A 102 21.065 14.102 -1.364 1.00 0.00 H new HETATM 0 H372 PNS A 102 20.848 11.150 -0.624 1.00 0.00 H new HETATM 0 H371 PNS A 102 20.837 12.469 0.529 1.00 0.00 H new HETATM 0 H313 PNS A 102 17.875 13.901 0.950 1.00 0.00 H new HETATM 0 H312 PNS A 102 16.376 14.667 1.528 1.00 0.00 H new HETATM 0 H311 PNS A 102 16.719 14.588 -0.216 1.00 0.00 H new HETATM 0 H303 PNS A 102 17.246 11.767 2.262 1.00 0.00 H new HETATM 0 H302 PNS A 102 15.661 11.004 1.988 1.00 0.00 H new HETATM 0 H301 PNS A 102 15.761 12.578 2.814 1.00 0.00 H new HETATM 0 H282 PNS A 102 14.213 13.794 0.937 1.00 0.00 H new HETATM 0 H281 PNS A 102 14.454 13.239 -0.707 1.00 0.00 H new HETATM 0 H44 PNS A 102 16.465 12.507 -7.061 1.00 0.00 H new HETATM 0 H41 PNS A 102 19.211 13.144 -2.855 1.00 0.00 H new HETATM 0 H36 PNS A 102 18.776 13.151 -1.200 1.00 0.00 H new HETATM 0 H33 PNS A 102 16.770 11.802 -2.475 1.00 0.00 H new HETATM 0 H32 PNS A 102 16.185 10.854 -0.505 1.00 0.00 H new