USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 778 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 49 ASN : amide:sc= -2.59 K(o=-5.3,f=-4.3!) USER MOD Set 1.2: A 67 ASN : amide:sc= -2.69 K(o=-5.3,f=-3.4!) USER MOD Single : A 1 THR N :NH3+ 148:sc= 0.109 (180deg=0.00219) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 3 LYS NZ :NH3+ -149:sc= -0.336 (180deg=-1.42!) USER MOD Single : A 4 ASN : amide:sc= -1.47 K(o=-1.5,f=-8.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 12 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.8!) USER MOD Single : A 25 CYS SG : rot 180:sc= -4.09! USER MOD Single : A 26 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.16) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -4.24! C(o=-4.2!,f=-9.9!) USER MOD Single : A 35 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-3) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -25:sc= 0.836! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.021) USER MOD Single : A 61 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-2.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0411 K(o=-0.041,f=-2!) USER MOD Single : A 73 SER OG : rot -81:sc= 0.631 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.28 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -146:sc= -2.25 (180deg=-4.5!) USER MOD Single : A 85 THR OG1 : rot -170:sc= -0.17 USER MOD Single : A 86 SER OG : rot -150:sc= 0.0236 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 97 HIS : no HD1:sc=-0.000587 X(o=-0.00059,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 99 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-0.86) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc=-0.000766 X(o=-0.00077,f=-0.13) USER MOD Single : A 102 HIS : no HD1:sc= -0.65 K(o=-0.65,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.043 -0.156 -3.626 1.00 0.00 N ATOM 2 CA THR A 1 55.273 1.219 -4.154 1.00 0.00 C ATOM 3 C THR A 1 54.238 2.170 -3.559 1.00 0.00 C ATOM 4 O THR A 1 53.061 2.127 -3.918 1.00 0.00 O ATOM 5 CB THR A 1 55.157 1.201 -5.679 1.00 0.00 C ATOM 6 OG1 THR A 1 55.930 0.127 -6.197 1.00 0.00 O ATOM 7 CG2 THR A 1 55.667 2.523 -6.253 1.00 0.00 C ATOM 0 H1 THR A 1 55.313 -0.855 -4.348 1.00 0.00 H new ATOM 0 H2 THR A 1 55.619 -0.301 -2.772 1.00 0.00 H new ATOM 0 H3 THR A 1 54.037 -0.273 -3.390 1.00 0.00 H new ATOM 0 HA THR A 1 56.270 1.561 -3.876 1.00 0.00 H new ATOM 0 HB THR A 1 54.112 1.069 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 1 55.856 0.112 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 1 55.582 2.505 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 1 55.072 3.346 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 1 56.711 2.663 -5.973 1.00 0.00 H new ATOM 17 N ALA A 2 54.690 3.028 -2.648 1.00 0.00 N ATOM 18 CA ALA A 2 53.806 3.995 -1.997 1.00 0.00 C ATOM 19 C ALA A 2 54.544 5.307 -1.759 1.00 0.00 C ATOM 20 O ALA A 2 53.960 6.385 -1.861 1.00 0.00 O ATOM 21 CB ALA A 2 53.318 3.437 -0.661 1.00 0.00 C ATOM 0 H ALA A 2 55.662 3.075 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 2 52.951 4.179 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.660 4.162 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.772 2.509 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.173 3.241 -0.015 1.00 0.00 H new ATOM 27 N LYS A 3 55.832 5.209 -1.446 1.00 0.00 N ATOM 28 CA LYS A 3 56.642 6.396 -1.203 1.00 0.00 C ATOM 29 C LYS A 3 58.115 6.015 -1.121 1.00 0.00 C ATOM 30 O LYS A 3 58.527 5.306 -0.204 1.00 0.00 O ATOM 31 CB LYS A 3 56.218 7.058 0.119 1.00 0.00 C ATOM 32 CG LYS A 3 57.003 8.363 0.367 1.00 0.00 C ATOM 33 CD LYS A 3 56.565 9.456 -0.617 1.00 0.00 C ATOM 34 CE LYS A 3 57.050 10.819 -0.119 1.00 0.00 C ATOM 35 NZ LYS A 3 56.499 11.079 1.240 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.334 4.326 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 3 56.493 7.095 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.150 7.272 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.386 6.367 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 3 56.841 8.702 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 3 58.071 8.176 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 3 56.973 9.253 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 3 55.479 9.458 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 3 58.139 10.841 -0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.733 11.603 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 56.359 12.102 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 55.588 10.589 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 57.165 10.729 1.958 1.00 0.00 H new ATOM 49 N ASN A 4 58.913 6.509 -2.063 1.00 0.00 N ATOM 50 CA ASN A 4 60.344 6.235 -2.064 1.00 0.00 C ATOM 51 C ASN A 4 61.090 7.505 -2.437 1.00 0.00 C ATOM 52 O ASN A 4 61.054 7.934 -3.590 1.00 0.00 O ATOM 53 CB ASN A 4 60.663 5.118 -3.053 1.00 0.00 C ATOM 54 CG ASN A 4 60.212 5.515 -4.453 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.368 6.397 -4.607 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.728 4.916 -5.491 1.00 0.00 N ATOM 0 H ASN A 4 58.594 7.098 -2.832 1.00 0.00 H new ATOM 0 HA ASN A 4 60.657 5.911 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.734 4.915 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.164 4.198 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.432 5.179 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.428 4.185 -5.362 1.00 0.00 H new ATOM 63 N THR A 5 61.756 8.122 -1.455 1.00 0.00 N ATOM 64 CA THR A 5 62.488 9.363 -1.706 1.00 0.00 C ATOM 65 C THR A 5 63.786 9.411 -0.904 1.00 0.00 C ATOM 66 O THR A 5 63.765 9.452 0.326 1.00 0.00 O ATOM 67 CB THR A 5 61.610 10.552 -1.309 1.00 0.00 C ATOM 68 OG1 THR A 5 60.335 10.424 -1.919 1.00 0.00 O ATOM 69 CG2 THR A 5 62.272 11.850 -1.766 1.00 0.00 C ATOM 0 H THR A 5 61.802 7.787 -0.493 1.00 0.00 H new ATOM 0 HA THR A 5 62.736 9.408 -2.766 1.00 0.00 H new ATOM 0 HB THR A 5 61.491 10.571 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 5 59.772 11.185 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.646 12.697 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.249 11.946 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.394 11.835 -2.849 1.00 0.00 H new ATOM 77 N VAL A 6 64.910 9.410 -1.607 1.00 0.00 N ATOM 78 CA VAL A 6 66.207 9.453 -0.943 1.00 0.00 C ATOM 79 C VAL A 6 66.415 10.791 -0.247 1.00 0.00 C ATOM 80 O VAL A 6 66.183 11.852 -0.827 1.00 0.00 O ATOM 81 CB VAL A 6 67.337 9.228 -1.953 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.447 10.436 -2.888 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.663 9.057 -1.207 1.00 0.00 C ATOM 0 H VAL A 6 64.952 9.380 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 6 66.225 8.657 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 6 67.119 8.333 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.252 10.270 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.507 10.568 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.660 11.331 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.467 8.897 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.871 9.954 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.597 8.198 -0.539 1.00 0.00 H new ATOM 93 N VAL A 7 66.892 10.730 0.989 1.00 0.00 N ATOM 94 CA VAL A 7 67.180 11.933 1.758 1.00 0.00 C ATOM 95 C VAL A 7 68.645 12.269 1.549 1.00 0.00 C ATOM 96 O VAL A 7 69.010 13.408 1.256 1.00 0.00 O ATOM 97 CB VAL A 7 66.881 11.685 3.233 1.00 0.00 C ATOM 98 CG1 VAL A 7 66.978 13.002 4.008 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.468 11.105 3.359 1.00 0.00 C ATOM 0 H VAL A 7 67.088 9.858 1.481 1.00 0.00 H new ATOM 0 HA VAL A 7 66.559 12.767 1.431 1.00 0.00 H new ATOM 0 HB VAL A 7 67.604 10.982 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.764 12.821 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.984 13.410 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.256 13.714 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.242 10.923 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.747 11.812 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.409 10.167 2.807 1.00 0.00 H new ATOM 109 N ARG A 8 69.469 11.231 1.651 1.00 0.00 N ATOM 110 CA ARG A 8 70.894 11.341 1.425 1.00 0.00 C ATOM 111 C ARG A 8 71.396 10.007 0.918 1.00 0.00 C ATOM 112 O ARG A 8 70.803 8.966 1.194 1.00 0.00 O ATOM 113 CB ARG A 8 71.654 11.724 2.695 1.00 0.00 C ATOM 114 CG ARG A 8 73.163 11.694 2.402 1.00 0.00 C ATOM 115 CD ARG A 8 73.927 12.291 3.584 1.00 0.00 C ATOM 116 NE ARG A 8 75.364 12.208 3.347 1.00 0.00 N ATOM 117 CZ ARG A 8 76.230 12.751 4.193 1.00 0.00 C ATOM 118 NH1 ARG A 8 76.460 12.178 5.342 1.00 0.00 N ATOM 119 NH2 ARG A 8 76.850 13.854 3.876 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.160 10.290 1.894 1.00 0.00 H new ATOM 0 HA ARG A 8 71.068 12.132 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.355 12.718 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.413 11.032 3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.489 10.669 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.379 12.258 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.634 13.331 3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.670 11.758 4.499 1.00 0.00 H new ATOM 0 HE ARG A 8 75.709 11.725 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.975 11.315 5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 8 77.125 12.593 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 8 76.669 14.300 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 8 77.515 14.270 4.527 1.00 0.00 H new ATOM 133 N GLY A 9 72.480 10.051 0.167 1.00 0.00 N ATOM 134 CA GLY A 9 73.077 8.849 -0.395 1.00 0.00 C ATOM 135 C GLY A 9 74.467 8.609 0.166 1.00 0.00 C ATOM 136 O GLY A 9 74.749 8.897 1.329 1.00 0.00 O ATOM 0 H GLY A 9 72.971 10.913 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.442 7.990 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.131 8.940 -1.480 1.00 0.00 H new ATOM 140 N LEU A 10 75.330 8.078 -0.684 1.00 0.00 N ATOM 141 CA LEU A 10 76.701 7.785 -0.303 1.00 0.00 C ATOM 142 C LEU A 10 77.484 9.081 -0.112 1.00 0.00 C ATOM 143 O LEU A 10 77.131 10.120 -0.672 1.00 0.00 O ATOM 144 CB LEU A 10 77.354 6.937 -1.402 1.00 0.00 C ATOM 145 CG LEU A 10 76.528 5.660 -1.647 1.00 0.00 C ATOM 146 CD1 LEU A 10 77.026 4.958 -2.917 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.671 4.702 -0.457 1.00 0.00 C ATOM 0 H LEU A 10 75.103 7.840 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 10 76.706 7.236 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.426 7.515 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.371 6.672 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 10 75.481 5.938 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.440 4.055 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.917 5.628 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.076 4.691 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.083 3.803 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.719 4.431 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.312 5.191 0.449 1.00 0.00 H new ATOM 159 N GLU A 11 78.552 9.011 0.682 1.00 0.00 N ATOM 160 CA GLU A 11 79.396 10.176 0.952 1.00 0.00 C ATOM 161 C GLU A 11 80.868 9.772 0.918 1.00 0.00 C ATOM 162 O GLU A 11 81.199 8.604 1.104 1.00 0.00 O ATOM 163 CB GLU A 11 79.038 10.772 2.318 1.00 0.00 C ATOM 164 CG GLU A 11 79.307 9.745 3.421 1.00 0.00 C ATOM 165 CD GLU A 11 78.852 10.301 4.767 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.002 11.495 4.975 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 78.358 9.526 5.570 1.00 0.00 O ATOM 0 H GLU A 11 78.854 8.157 1.151 1.00 0.00 H new ATOM 0 HA GLU A 11 79.223 10.930 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.625 11.673 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.989 11.067 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.778 8.817 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.370 9.506 3.457 1.00 0.00 H new ATOM 174 N ASN A 12 81.740 10.741 0.670 1.00 0.00 N ATOM 175 CA ASN A 12 83.177 10.474 0.599 1.00 0.00 C ATOM 176 C ASN A 12 83.681 9.781 1.866 1.00 0.00 C ATOM 177 O ASN A 12 83.259 10.108 2.977 1.00 0.00 O ATOM 178 CB ASN A 12 83.934 11.787 0.389 1.00 0.00 C ATOM 179 CG ASN A 12 83.608 12.766 1.515 1.00 0.00 C ATOM 180 OD1 ASN A 12 82.955 12.397 2.491 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.024 14.000 1.433 1.00 0.00 N ATOM 0 H ASN A 12 81.482 11.716 0.515 1.00 0.00 H new ATOM 0 HA ASN A 12 83.357 9.805 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.007 11.597 0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.662 12.223 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 12 83.808 14.662 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 12 84.565 14.303 0.623 1.00 0.00 H new ATOM 188 N VAL A 13 84.599 8.824 1.691 1.00 0.00 N ATOM 189 CA VAL A 13 85.173 8.094 2.832 1.00 0.00 C ATOM 190 C VAL A 13 86.693 7.989 2.691 1.00 0.00 C ATOM 191 O VAL A 13 87.202 7.624 1.630 1.00 0.00 O ATOM 192 CB VAL A 13 84.563 6.690 2.925 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.292 5.877 3.998 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.080 6.800 3.294 1.00 0.00 C ATOM 0 H VAL A 13 84.959 8.537 0.781 1.00 0.00 H new ATOM 0 HA VAL A 13 84.941 8.645 3.743 1.00 0.00 H new ATOM 0 HB VAL A 13 84.666 6.191 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.854 4.881 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.347 5.794 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.194 6.376 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.647 5.802 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.981 7.303 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.556 7.373 2.529 1.00 0.00 H new ATOM 204 N GLU A 14 87.415 8.303 3.772 1.00 0.00 N ATOM 205 CA GLU A 14 88.882 8.235 3.767 1.00 0.00 C ATOM 206 C GLU A 14 89.387 7.432 4.963 1.00 0.00 C ATOM 207 O GLU A 14 88.954 7.654 6.094 1.00 0.00 O ATOM 208 CB GLU A 14 89.476 9.643 3.837 1.00 0.00 C ATOM 209 CG GLU A 14 89.060 10.441 2.603 1.00 0.00 C ATOM 210 CD GLU A 14 89.687 11.830 2.650 1.00 0.00 C ATOM 211 OE1 GLU A 14 89.725 12.406 3.726 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 90.128 12.294 1.613 1.00 0.00 O ATOM 0 H GLU A 14 87.011 8.606 4.658 1.00 0.00 H new ATOM 0 HA GLU A 14 89.192 7.746 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.134 10.148 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.563 9.587 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.375 9.920 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 14 87.974 10.524 2.561 1.00 0.00 H new ATOM 219 N ALA A 15 90.312 6.507 4.713 1.00 0.00 N ATOM 220 CA ALA A 15 90.869 5.696 5.793 1.00 0.00 C ATOM 221 C ALA A 15 92.242 5.145 5.413 1.00 0.00 C ATOM 222 O ALA A 15 92.517 4.863 4.245 1.00 0.00 O ATOM 223 CB ALA A 15 89.923 4.539 6.123 1.00 0.00 C ATOM 0 H ALA A 15 90.687 6.302 3.787 1.00 0.00 H new ATOM 0 HA ALA A 15 90.983 6.333 6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.347 3.941 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.957 4.936 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.790 3.915 5.239 1.00 0.00 H new ATOM 229 N LEU A 16 93.102 4.998 6.412 1.00 0.00 N ATOM 230 CA LEU A 16 94.442 4.487 6.179 1.00 0.00 C ATOM 231 C LEU A 16 94.383 2.990 5.890 1.00 0.00 C ATOM 232 O LEU A 16 93.457 2.302 6.320 1.00 0.00 O ATOM 233 CB LEU A 16 95.331 4.731 7.410 1.00 0.00 C ATOM 234 CG LEU A 16 94.624 4.224 8.702 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.640 3.546 9.635 1.00 0.00 C ATOM 236 CD2 LEU A 16 93.972 5.400 9.453 1.00 0.00 C ATOM 0 H LEU A 16 92.896 5.224 7.385 1.00 0.00 H new ATOM 0 HA LEU A 16 94.867 5.010 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 16 96.285 4.218 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.551 5.795 7.502 1.00 0.00 H new ATOM 0 HG LEU A 16 93.858 3.506 8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.132 3.197 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 16 96.095 2.698 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.415 4.262 9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 16 93.482 5.030 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 94.738 6.125 9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.234 5.879 8.809 1.00 0.00 H new ATOM 248 N GLU A 17 95.376 2.496 5.163 1.00 0.00 N ATOM 249 CA GLU A 17 95.425 1.076 4.823 1.00 0.00 C ATOM 250 C GLU A 17 95.201 0.205 6.057 1.00 0.00 C ATOM 251 O GLU A 17 95.751 0.467 7.127 1.00 0.00 O ATOM 252 CB GLU A 17 96.788 0.745 4.213 1.00 0.00 C ATOM 253 CG GLU A 17 96.758 -0.644 3.562 1.00 0.00 C ATOM 254 CD GLU A 17 96.796 -1.725 4.634 1.00 0.00 C ATOM 255 OE1 GLU A 17 97.525 -1.552 5.598 1.00 0.00 O ATOM 256 OE2 GLU A 17 96.097 -2.713 4.477 1.00 0.00 O1- ATOM 0 H GLU A 17 96.152 3.049 4.799 1.00 0.00 H new ATOM 0 HA GLU A 17 94.631 0.869 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.053 1.497 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.557 0.775 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 95.857 -0.752 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.608 -0.758 2.890 1.00 0.00 H new ATOM 263 N GLY A 18 94.394 -0.839 5.893 1.00 0.00 N ATOM 264 CA GLY A 18 94.105 -1.756 6.989 1.00 0.00 C ATOM 265 C GLY A 18 93.105 -1.150 7.966 1.00 0.00 C ATOM 266 O GLY A 18 93.016 -1.571 9.118 1.00 0.00 O ATOM 0 H GLY A 18 93.930 -1.070 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.708 -2.689 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.028 -2.001 7.515 1.00 0.00 H new ATOM 270 N GLY A 19 92.351 -0.160 7.496 1.00 0.00 N ATOM 271 CA GLY A 19 91.350 0.506 8.330 1.00 0.00 C ATOM 272 C GLY A 19 89.957 -0.026 8.015 1.00 0.00 C ATOM 273 O GLY A 19 89.807 -1.144 7.524 1.00 0.00 O ATOM 0 H GLY A 19 92.413 0.200 6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.579 0.344 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.383 1.582 8.159 1.00 0.00 H new ATOM 277 N GLU A 20 88.936 0.782 8.292 1.00 0.00 N ATOM 278 CA GLU A 20 87.551 0.387 8.025 1.00 0.00 C ATOM 279 C GLU A 20 86.799 1.531 7.350 1.00 0.00 C ATOM 280 O GLU A 20 87.232 2.682 7.397 1.00 0.00 O ATOM 281 CB GLU A 20 86.855 -0.003 9.334 1.00 0.00 C ATOM 282 CG GLU A 20 86.790 1.204 10.271 1.00 0.00 C ATOM 283 CD GLU A 20 86.167 0.800 11.603 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.260 -0.014 11.586 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 86.603 1.315 12.618 1.00 0.00 O ATOM 0 H GLU A 20 89.039 1.711 8.700 1.00 0.00 H new ATOM 0 HA GLU A 20 87.552 -0.474 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.849 -0.367 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.396 -0.818 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.792 1.601 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.203 1.999 9.812 1.00 0.00 H new ATOM 292 N ALA A 21 85.673 1.208 6.722 1.00 0.00 N ATOM 293 CA ALA A 21 84.868 2.222 6.035 1.00 0.00 C ATOM 294 C ALA A 21 83.387 1.969 6.267 1.00 0.00 C ATOM 295 O ALA A 21 82.929 0.821 6.267 1.00 0.00 O ATOM 296 CB ALA A 21 85.171 2.203 4.531 1.00 0.00 C ATOM 0 H ALA A 21 85.296 0.261 6.672 1.00 0.00 H new ATOM 0 HA ALA A 21 85.124 3.202 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.568 2.960 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.228 2.415 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.932 1.220 4.124 1.00 0.00 H new ATOM 302 N LEU A 22 82.645 3.059 6.470 1.00 0.00 N ATOM 303 CA LEU A 22 81.208 2.981 6.715 1.00 0.00 C ATOM 304 C LEU A 22 80.432 3.852 5.740 1.00 0.00 C ATOM 305 O LEU A 22 80.452 5.079 5.834 1.00 0.00 O ATOM 306 CB LEU A 22 80.910 3.447 8.144 1.00 0.00 C ATOM 307 CG LEU A 22 81.455 2.422 9.152 1.00 0.00 C ATOM 308 CD1 LEU A 22 81.472 3.052 10.548 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.568 1.158 9.166 1.00 0.00 C ATOM 0 H LEU A 22 83.019 4.008 6.469 1.00 0.00 H new ATOM 0 HA LEU A 22 80.897 1.945 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.365 4.421 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.835 3.568 8.280 1.00 0.00 H new ATOM 0 HG LEU A 22 82.466 2.136 8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 22 81.858 2.330 11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.111 3.935 10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 22 80.459 3.340 10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 22 80.967 0.442 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 22 79.552 1.430 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.559 0.709 8.173 1.00 0.00 H new ATOM 321 N PHE A 23 79.719 3.209 4.822 1.00 0.00 N ATOM 322 CA PHE A 23 78.900 3.922 3.848 1.00 0.00 C ATOM 323 C PHE A 23 77.434 3.747 4.223 1.00 0.00 C ATOM 324 O PHE A 23 76.853 2.691 3.976 1.00 0.00 O ATOM 325 CB PHE A 23 79.126 3.341 2.444 1.00 0.00 C ATOM 326 CG PHE A 23 80.380 3.908 1.819 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.327 5.124 1.127 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.588 3.204 1.903 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.479 5.637 0.523 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.739 3.717 1.293 1.00 0.00 C ATOM 331 CZ PHE A 23 82.681 4.934 0.604 1.00 0.00 C ATOM 0 H PHE A 23 79.692 2.193 4.732 1.00 0.00 H new ATOM 0 HA PHE A 23 79.173 4.977 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 23 79.204 2.255 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.267 3.564 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.395 5.666 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.631 2.267 2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.438 6.578 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.671 3.174 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.569 5.330 0.134 1.00 0.00 H new ATOM 341 N GLU A 24 76.842 4.775 4.838 1.00 0.00 N ATOM 342 CA GLU A 24 75.439 4.702 5.258 1.00 0.00 C ATOM 343 C GLU A 24 74.623 5.828 4.636 1.00 0.00 C ATOM 344 O GLU A 24 75.152 6.889 4.308 1.00 0.00 O ATOM 345 CB GLU A 24 75.340 4.747 6.787 1.00 0.00 C ATOM 346 CG GLU A 24 75.655 6.151 7.299 1.00 0.00 C ATOM 347 CD GLU A 24 75.754 6.135 8.820 1.00 0.00 C ATOM 348 OE1 GLU A 24 74.919 5.498 9.439 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 76.663 6.760 9.342 1.00 0.00 O ATOM 0 H GLU A 24 77.305 5.658 5.054 1.00 0.00 H new ATOM 0 HA GLU A 24 75.027 3.756 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 24 74.338 4.454 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 24 76.034 4.029 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 24 76.592 6.504 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 24 74.877 6.846 6.983 1.00 0.00 H new ATOM 356 N CYS A 25 73.331 5.568 4.456 1.00 0.00 N ATOM 357 CA CYS A 25 72.426 6.540 3.843 1.00 0.00 C ATOM 358 C CYS A 25 71.061 6.519 4.523 1.00 0.00 C ATOM 359 O CYS A 25 70.716 5.570 5.227 1.00 0.00 O ATOM 360 CB CYS A 25 72.261 6.189 2.367 1.00 0.00 C ATOM 361 SG CYS A 25 73.895 6.000 1.615 1.00 0.00 S ATOM 0 H CYS A 25 72.885 4.691 4.726 1.00 0.00 H new ATOM 0 HA CYS A 25 72.849 7.538 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.690 5.266 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 25 71.700 6.971 1.855 1.00 0.00 H new ATOM 0 HG CYS A 25 73.762 5.699 0.357 1.00 0.00 H new ATOM 367 N GLN A 26 70.281 7.572 4.286 1.00 0.00 N ATOM 368 CA GLN A 26 68.934 7.684 4.850 1.00 0.00 C ATOM 369 C GLN A 26 67.924 7.638 3.709 1.00 0.00 C ATOM 370 O GLN A 26 67.832 8.567 2.908 1.00 0.00 O ATOM 371 CB GLN A 26 68.807 9.000 5.619 1.00 0.00 C ATOM 372 CG GLN A 26 69.727 8.958 6.842 1.00 0.00 C ATOM 373 CD GLN A 26 69.720 10.306 7.553 1.00 0.00 C ATOM 374 OE1 GLN A 26 70.088 11.321 6.962 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.326 10.377 8.795 1.00 0.00 N ATOM 0 H GLN A 26 70.559 8.363 3.705 1.00 0.00 H new ATOM 0 HA GLN A 26 68.744 6.861 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.075 9.838 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 26 67.774 9.155 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.398 8.176 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.742 8.706 6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 69.022 9.534 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 26 69.322 11.275 9.278 1.00 0.00 H new ATOM 384 N LEU A 27 67.201 6.525 3.622 1.00 0.00 N ATOM 385 CA LEU A 27 66.225 6.316 2.549 1.00 0.00 C ATOM 386 C LEU A 27 64.793 6.347 3.073 1.00 0.00 C ATOM 387 O LEU A 27 64.460 5.654 4.034 1.00 0.00 O ATOM 388 CB LEU A 27 66.483 4.935 1.929 1.00 0.00 C ATOM 389 CG LEU A 27 65.679 4.769 0.622 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.488 5.300 -0.562 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.374 3.286 0.386 1.00 0.00 C ATOM 0 H LEU A 27 67.271 5.750 4.282 1.00 0.00 H new ATOM 0 HA LEU A 27 66.339 7.117 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.547 4.814 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.203 4.154 2.636 1.00 0.00 H new ATOM 0 HG LEU A 27 64.749 5.330 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.912 5.179 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 66.707 6.357 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 27 67.422 4.744 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 64.806 3.174 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 66.308 2.730 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.790 2.897 1.220 1.00 0.00 H new ATOM 403 N SER A 28 63.938 7.116 2.402 1.00 0.00 N ATOM 404 CA SER A 28 62.531 7.184 2.779 1.00 0.00 C ATOM 405 C SER A 28 61.809 6.020 2.115 1.00 0.00 C ATOM 406 O SER A 28 61.459 6.095 0.952 1.00 0.00 O ATOM 407 CB SER A 28 61.917 8.501 2.306 1.00 0.00 C ATOM 408 OG SER A 28 60.633 8.663 2.896 1.00 0.00 O ATOM 0 H SER A 28 64.193 7.695 1.602 1.00 0.00 H new ATOM 0 HA SER A 28 62.435 7.129 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.563 9.335 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.833 8.506 1.219 1.00 0.00 H new ATOM 0 HG SER A 28 60.239 9.508 2.595 1.00 0.00 H new ATOM 414 N GLN A 29 61.616 4.939 2.854 1.00 0.00 N ATOM 415 CA GLN A 29 60.963 3.741 2.322 1.00 0.00 C ATOM 416 C GLN A 29 60.884 2.649 3.414 1.00 0.00 C ATOM 417 O GLN A 29 61.750 1.780 3.496 1.00 0.00 O ATOM 418 CB GLN A 29 61.762 3.214 1.090 1.00 0.00 C ATOM 419 CG GLN A 29 60.811 2.855 -0.060 1.00 0.00 C ATOM 420 CD GLN A 29 59.769 1.851 0.412 1.00 0.00 C ATOM 421 OE1 GLN A 29 59.991 0.644 0.326 1.00 0.00 O ATOM 422 NE2 GLN A 29 58.638 2.279 0.900 1.00 0.00 N ATOM 0 H GLN A 29 61.902 4.861 3.830 1.00 0.00 H new ATOM 0 HA GLN A 29 59.950 3.993 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 62.471 3.973 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.343 2.337 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.318 3.755 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 29 61.377 2.438 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 29 58.459 3.281 0.969 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.932 1.612 1.213 1.00 0.00 H new ATOM 431 N PRO A 30 59.870 2.676 4.248 1.00 0.00 N ATOM 432 CA PRO A 30 59.704 1.663 5.334 1.00 0.00 C ATOM 433 C PRO A 30 59.344 0.277 4.776 1.00 0.00 C ATOM 434 O PRO A 30 58.756 -0.549 5.475 1.00 0.00 O ATOM 435 CB PRO A 30 58.573 2.224 6.235 1.00 0.00 C ATOM 436 CG PRO A 30 58.135 3.538 5.630 1.00 0.00 C ATOM 437 CD PRO A 30 58.788 3.666 4.246 1.00 0.00 C ATOM 0 HA PRO A 30 60.631 1.513 5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.738 1.525 6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.929 2.369 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.049 3.574 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.432 4.369 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.070 3.466 3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.173 4.672 4.082 1.00 0.00 H new ATOM 445 N GLU A 31 59.708 0.033 3.519 1.00 0.00 N ATOM 446 CA GLU A 31 59.432 -1.239 2.866 1.00 0.00 C ATOM 447 C GLU A 31 60.581 -1.536 1.914 1.00 0.00 C ATOM 448 O GLU A 31 61.412 -0.663 1.659 1.00 0.00 O ATOM 449 CB GLU A 31 58.094 -1.158 2.112 1.00 0.00 C ATOM 450 CG GLU A 31 57.715 -2.528 1.532 1.00 0.00 C ATOM 451 CD GLU A 31 56.306 -2.476 0.952 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.606 -1.517 1.230 1.00 0.00 O ATOM 453 OE2 GLU A 31 55.946 -3.400 0.240 1.00 0.00 O1- ATOM 0 H GLU A 31 60.198 0.707 2.931 1.00 0.00 H new ATOM 0 HA GLU A 31 59.350 -2.042 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.311 -0.814 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.167 -0.425 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.426 -2.813 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.769 -3.289 2.310 1.00 0.00 H new ATOM 460 N VAL A 32 60.640 -2.752 1.390 1.00 0.00 N ATOM 461 CA VAL A 32 61.707 -3.125 0.466 1.00 0.00 C ATOM 462 C VAL A 32 61.113 -3.748 -0.792 1.00 0.00 C ATOM 463 O VAL A 32 60.524 -4.828 -0.745 1.00 0.00 O ATOM 464 CB VAL A 32 62.642 -4.116 1.163 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.631 -4.703 0.150 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.409 -3.388 2.271 1.00 0.00 C ATOM 0 H VAL A 32 59.968 -3.494 1.586 1.00 0.00 H new ATOM 0 HA VAL A 32 62.271 -2.239 0.175 1.00 0.00 H new ATOM 0 HB VAL A 32 62.055 -4.927 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.293 -5.407 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.082 -5.220 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 32 64.223 -3.899 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.077 -4.089 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.993 -2.577 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 32 62.703 -2.980 2.994 1.00 0.00 H new ATOM 476 N ALA A 33 61.273 -3.054 -1.919 1.00 0.00 N ATOM 477 CA ALA A 33 60.755 -3.535 -3.201 1.00 0.00 C ATOM 478 C ALA A 33 61.895 -3.859 -4.159 1.00 0.00 C ATOM 479 O ALA A 33 61.834 -4.839 -4.901 1.00 0.00 O ATOM 480 CB ALA A 33 59.853 -2.467 -3.825 1.00 0.00 C ATOM 0 H ALA A 33 61.757 -2.158 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 33 60.182 -4.445 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.469 -2.828 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.020 -2.257 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.427 -1.555 -3.987 1.00 0.00 H new ATOM 486 N ALA A 34 62.938 -3.031 -4.140 1.00 0.00 N ATOM 487 CA ALA A 34 64.081 -3.252 -5.019 1.00 0.00 C ATOM 488 C ALA A 34 65.265 -2.369 -4.624 1.00 0.00 C ATOM 489 O ALA A 34 65.129 -1.154 -4.489 1.00 0.00 O ATOM 490 CB ALA A 34 63.686 -2.957 -6.468 1.00 0.00 C ATOM 0 H ALA A 34 63.014 -2.213 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 34 64.383 -4.295 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.543 -3.124 -7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.871 -3.617 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.362 -1.920 -6.553 1.00 0.00 H new ATOM 496 N HIS A 35 66.428 -2.991 -4.459 1.00 0.00 N ATOM 497 CA HIS A 35 67.647 -2.265 -4.102 1.00 0.00 C ATOM 498 C HIS A 35 68.864 -3.006 -4.640 1.00 0.00 C ATOM 499 O HIS A 35 69.005 -4.210 -4.416 1.00 0.00 O ATOM 500 CB HIS A 35 67.761 -2.133 -2.582 1.00 0.00 C ATOM 501 CG HIS A 35 66.694 -1.200 -2.078 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.524 -1.657 -1.492 1.00 0.00 N ATOM 503 CD2 HIS A 35 66.609 0.170 -2.066 1.00 0.00 C ATOM 504 CE1 HIS A 35 64.793 -0.578 -1.153 1.00 0.00 C ATOM 505 NE2 HIS A 35 65.408 0.560 -1.482 1.00 0.00 N ATOM 0 H HIS A 35 66.555 -3.997 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 35 67.602 -1.269 -4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.655 -3.111 -2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.747 -1.755 -2.312 1.00 0.00 H new ATOM 0 HD1 HIS A 35 65.264 -2.632 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 35 67.361 0.843 -2.451 1.00 0.00 H new ATOM 0 HE1 HIS A 35 63.827 -0.627 -0.673 1.00 0.00 H new ATOM 513 N THR A 36 69.743 -2.296 -5.357 1.00 0.00 N ATOM 514 CA THR A 36 70.943 -2.927 -5.924 1.00 0.00 C ATOM 515 C THR A 36 72.209 -2.265 -5.386 1.00 0.00 C ATOM 516 O THR A 36 72.405 -1.065 -5.548 1.00 0.00 O ATOM 517 CB THR A 36 70.902 -2.801 -7.451 1.00 0.00 C ATOM 518 OG1 THR A 36 69.684 -3.347 -7.932 1.00 0.00 O ATOM 519 CG2 THR A 36 72.078 -3.561 -8.069 1.00 0.00 C ATOM 0 H THR A 36 69.650 -1.300 -5.557 1.00 0.00 H new ATOM 0 HA THR A 36 70.959 -3.978 -5.637 1.00 0.00 H new ATOM 0 HB THR A 36 70.971 -1.749 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.653 -3.267 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.042 -3.467 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.015 -3.144 -7.699 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.016 -4.614 -7.794 1.00 0.00 H new ATOM 527 N TRP A 37 73.068 -3.057 -4.740 1.00 0.00 N ATOM 528 CA TRP A 37 74.318 -2.537 -4.169 1.00 0.00 C ATOM 529 C TRP A 37 75.522 -3.031 -4.972 1.00 0.00 C ATOM 530 O TRP A 37 75.912 -4.191 -4.856 1.00 0.00 O ATOM 531 CB TRP A 37 74.455 -3.019 -2.708 1.00 0.00 C ATOM 532 CG TRP A 37 73.747 -2.082 -1.781 1.00 0.00 C ATOM 533 CD1 TRP A 37 72.463 -2.210 -1.382 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.262 -0.885 -1.131 1.00 0.00 C ATOM 535 NE1 TRP A 37 72.154 -1.165 -0.530 1.00 0.00 N ATOM 536 CE2 TRP A 37 73.233 -0.323 -0.343 1.00 0.00 C ATOM 537 CE3 TRP A 37 75.513 -0.241 -1.149 1.00 0.00 C ATOM 538 CZ2 TRP A 37 73.433 0.841 0.401 1.00 0.00 C ATOM 539 CZ3 TRP A 37 75.719 0.929 -0.400 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.681 1.469 0.375 1.00 0.00 C ATOM 0 H TRP A 37 72.924 -4.057 -4.598 1.00 0.00 H new ATOM 0 HA TRP A 37 74.290 -1.448 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 37 74.040 -4.022 -2.609 1.00 0.00 H new ATOM 0 HB3 TRP A 37 75.509 -3.082 -2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 37 71.788 -2.999 -1.679 1.00 0.00 H new ATOM 0 HE1 TRP A 37 71.242 -1.032 -0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 37 76.319 -0.648 -1.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 72.629 1.253 0.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 76.683 1.416 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.846 2.368 0.950 1.00 0.00 H new ATOM 551 N LEU A 38 76.123 -2.141 -5.766 1.00 0.00 N ATOM 552 CA LEU A 38 77.304 -2.507 -6.557 1.00 0.00 C ATOM 553 C LEU A 38 78.385 -1.436 -6.474 1.00 0.00 C ATOM 554 O LEU A 38 78.253 -0.343 -7.023 1.00 0.00 O ATOM 555 CB LEU A 38 76.937 -2.743 -8.028 1.00 0.00 C ATOM 556 CG LEU A 38 76.062 -3.997 -8.175 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.646 -4.146 -9.641 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.844 -5.256 -7.746 1.00 0.00 C ATOM 0 H LEU A 38 75.818 -1.174 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 38 77.692 -3.433 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.406 -1.875 -8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.845 -2.855 -8.621 1.00 0.00 H new ATOM 0 HG LEU A 38 75.184 -3.891 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.024 -5.034 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.082 -3.266 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.535 -4.244 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.208 -6.134 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.728 -5.366 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.149 -5.158 -6.704 1.00 0.00 H new ATOM 570 N LEU A 39 79.468 -1.795 -5.795 1.00 0.00 N ATOM 571 CA LEU A 39 80.622 -0.925 -5.628 1.00 0.00 C ATOM 572 C LEU A 39 81.646 -1.443 -6.613 1.00 0.00 C ATOM 573 O LEU A 39 81.415 -1.395 -7.821 1.00 0.00 O ATOM 574 CB LEU A 39 81.135 -0.984 -4.160 1.00 0.00 C ATOM 575 CG LEU A 39 80.723 -2.302 -3.464 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.571 -3.472 -3.979 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.941 -2.167 -1.956 1.00 0.00 C ATOM 0 H LEU A 39 79.569 -2.704 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 39 80.393 0.124 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.221 -0.891 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.737 -0.137 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 39 79.673 -2.496 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.266 -4.391 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.427 -3.580 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.623 -3.277 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.651 -3.095 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.993 -1.963 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.334 -1.347 -1.573 1.00 0.00 H new ATOM 589 N ASP A 40 82.721 -2.038 -6.126 1.00 0.00 N ATOM 590 CA ASP A 40 83.653 -2.656 -7.025 1.00 0.00 C ATOM 591 C ASP A 40 82.825 -3.664 -7.815 1.00 0.00 C ATOM 592 O ASP A 40 81.674 -3.920 -7.462 1.00 0.00 O ATOM 593 CB ASP A 40 84.782 -3.355 -6.258 1.00 0.00 C ATOM 594 CG ASP A 40 85.372 -2.408 -5.218 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.281 -1.209 -5.420 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.902 -2.896 -4.234 1.00 0.00 O ATOM 0 H ASP A 40 82.959 -2.101 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 40 84.138 -1.926 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 40 84.400 -4.252 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.559 -3.676 -6.952 1.00 0.00 H new ATOM 601 N ASP A 41 83.347 -4.171 -8.892 1.00 0.00 N ATOM 602 CA ASP A 41 82.570 -5.082 -9.721 1.00 0.00 C ATOM 603 C ASP A 41 82.233 -6.393 -9.000 1.00 0.00 C ATOM 604 O ASP A 41 82.229 -7.455 -9.622 1.00 0.00 O ATOM 605 CB ASP A 41 83.345 -5.392 -11.004 1.00 0.00 C ATOM 606 CG ASP A 41 83.359 -4.171 -11.917 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.659 -3.219 -11.613 1.00 0.00 O ATOM 608 OD2 ASP A 41 84.069 -4.206 -12.909 1.00 0.00 O1- ATOM 0 H ASP A 41 84.292 -3.981 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 41 81.627 -4.586 -9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.366 -5.684 -10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.887 -6.236 -11.520 1.00 0.00 H new ATOM 613 N GLU A 42 81.921 -6.326 -7.689 1.00 0.00 N ATOM 614 CA GLU A 42 81.552 -7.542 -6.934 1.00 0.00 C ATOM 615 C GLU A 42 80.304 -7.293 -6.066 1.00 0.00 C ATOM 616 O GLU A 42 80.214 -6.252 -5.412 1.00 0.00 O ATOM 617 CB GLU A 42 82.704 -7.972 -6.015 1.00 0.00 C ATOM 618 CG GLU A 42 83.854 -8.530 -6.853 1.00 0.00 C ATOM 619 CD GLU A 42 84.995 -8.964 -5.938 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.833 -8.132 -5.633 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 85.011 -10.122 -5.552 1.00 0.00 O ATOM 0 H GLU A 42 81.916 -5.465 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 42 81.340 -8.327 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.049 -7.121 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.356 -8.727 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.507 -9.377 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.206 -7.774 -7.555 1.00 0.00 H new ATOM 628 N PRO A 43 79.353 -8.218 -6.009 1.00 0.00 N ATOM 629 CA PRO A 43 78.145 -8.030 -5.155 1.00 0.00 C ATOM 630 C PRO A 43 78.562 -7.812 -3.701 1.00 0.00 C ATOM 631 O PRO A 43 79.558 -8.380 -3.253 1.00 0.00 O ATOM 632 CB PRO A 43 77.320 -9.330 -5.310 1.00 0.00 C ATOM 633 CG PRO A 43 78.060 -10.225 -6.278 1.00 0.00 C ATOM 634 CD PRO A 43 79.331 -9.496 -6.745 1.00 0.00 C ATOM 0 HA PRO A 43 77.562 -7.157 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.199 -9.825 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.320 -9.107 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.320 -11.169 -5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.426 -10.465 -7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.222 -10.086 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.312 -9.327 -7.822 1.00 0.00 H new ATOM 642 N VAL A 44 77.828 -6.969 -2.970 1.00 0.00 N ATOM 643 CA VAL A 44 78.197 -6.691 -1.583 1.00 0.00 C ATOM 644 C VAL A 44 77.520 -7.636 -0.603 1.00 0.00 C ATOM 645 O VAL A 44 76.491 -7.318 -0.014 1.00 0.00 O ATOM 646 CB VAL A 44 77.834 -5.257 -1.193 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.591 -4.877 0.092 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.211 -4.298 -2.325 1.00 0.00 C ATOM 0 H VAL A 44 76.998 -6.480 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 44 79.276 -6.836 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 44 76.761 -5.187 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.337 -3.856 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.309 -5.558 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.664 -4.948 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.950 -3.279 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 44 79.283 -4.359 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.669 -4.572 -3.230 1.00 0.00 H new ATOM 658 N ARG A 45 78.158 -8.763 -0.392 1.00 0.00 N ATOM 659 CA ARG A 45 77.707 -9.751 0.569 1.00 0.00 C ATOM 660 C ARG A 45 78.941 -10.440 1.091 1.00 0.00 C ATOM 661 O ARG A 45 79.507 -10.045 2.094 1.00 0.00 O ATOM 662 CB ARG A 45 76.728 -10.744 -0.059 1.00 0.00 C ATOM 663 CG ARG A 45 75.332 -10.117 -0.064 1.00 0.00 C ATOM 664 CD ARG A 45 74.345 -11.072 -0.704 1.00 0.00 C ATOM 665 NE ARG A 45 74.299 -12.319 0.050 1.00 0.00 N ATOM 666 CZ ARG A 45 73.834 -13.432 -0.498 1.00 0.00 C ATOM 667 NH1 ARG A 45 74.582 -14.122 -1.318 1.00 0.00 N ATOM 668 NH2 ARG A 45 72.631 -13.843 -0.210 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.012 -9.025 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 45 77.159 -9.275 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.037 -10.988 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.722 -11.677 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.022 -9.888 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.348 -9.175 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 45 73.354 -10.618 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.635 -11.271 -1.735 1.00 0.00 H new ATOM 0 HE ARG A 45 74.630 -12.335 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 45 75.526 -13.804 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 45 74.222 -14.979 -1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 45 72.050 -13.308 0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.270 -14.700 -0.630 1.00 0.00 H new ATOM 682 N THR A 46 79.355 -11.461 0.381 1.00 0.00 N ATOM 683 CA THR A 46 80.559 -12.192 0.747 1.00 0.00 C ATOM 684 C THR A 46 80.545 -12.573 2.232 1.00 0.00 C ATOM 685 O THR A 46 79.625 -13.257 2.685 1.00 0.00 O ATOM 686 CB THR A 46 81.784 -11.328 0.415 1.00 0.00 C ATOM 687 OG1 THR A 46 81.985 -10.364 1.442 1.00 0.00 O ATOM 688 CG2 THR A 46 81.544 -10.610 -0.917 1.00 0.00 C ATOM 0 H THR A 46 78.882 -11.809 -0.453 1.00 0.00 H new ATOM 0 HA THR A 46 80.603 -13.120 0.178 1.00 0.00 H new ATOM 0 HB THR A 46 82.668 -11.962 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.136 -10.192 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.410 -9.994 -1.160 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.391 -11.347 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.660 -9.977 -0.835 1.00 0.00 H new ATOM 696 N SER A 47 81.576 -12.165 2.990 1.00 0.00 N ATOM 697 CA SER A 47 81.665 -12.513 4.419 1.00 0.00 C ATOM 698 C SER A 47 81.873 -11.271 5.294 1.00 0.00 C ATOM 699 O SER A 47 81.363 -10.201 5.000 1.00 0.00 O ATOM 700 CB SER A 47 82.835 -13.474 4.627 1.00 0.00 C ATOM 701 OG SER A 47 82.759 -14.525 3.670 1.00 0.00 O ATOM 0 H SER A 47 82.351 -11.600 2.643 1.00 0.00 H new ATOM 0 HA SER A 47 80.725 -12.980 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 47 83.780 -12.941 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 47 82.808 -13.884 5.637 1.00 0.00 H new ATOM 0 HG SER A 47 83.510 -15.141 3.801 1.00 0.00 H new ATOM 707 N GLU A 48 82.588 -11.443 6.405 1.00 0.00 N ATOM 708 CA GLU A 48 82.819 -10.341 7.347 1.00 0.00 C ATOM 709 C GLU A 48 83.641 -9.195 6.736 1.00 0.00 C ATOM 710 O GLU A 48 83.380 -8.026 7.023 1.00 0.00 O ATOM 711 CB GLU A 48 83.523 -10.875 8.603 1.00 0.00 C ATOM 712 CG GLU A 48 84.873 -11.496 8.228 1.00 0.00 C ATOM 713 CD GLU A 48 85.576 -12.006 9.483 1.00 0.00 C ATOM 714 OE1 GLU A 48 85.902 -11.189 10.328 1.00 0.00 O ATOM 715 OE2 GLU A 48 85.783 -13.204 9.579 1.00 0.00 O1- ATOM 0 H GLU A 48 83.016 -12.328 6.677 1.00 0.00 H new ATOM 0 HA GLU A 48 81.843 -9.929 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.673 -10.065 9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 48 82.895 -11.620 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.723 -12.316 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 48 85.497 -10.756 7.726 1.00 0.00 H new ATOM 722 N ASN A 49 84.639 -9.523 5.922 1.00 0.00 N ATOM 723 CA ASN A 49 85.493 -8.495 5.315 1.00 0.00 C ATOM 724 C ASN A 49 84.708 -7.628 4.333 1.00 0.00 C ATOM 725 O ASN A 49 85.277 -6.781 3.646 1.00 0.00 O ATOM 726 CB ASN A 49 86.651 -9.159 4.573 1.00 0.00 C ATOM 727 CG ASN A 49 87.614 -9.793 5.566 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.623 -9.433 6.743 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.426 -10.729 5.160 1.00 0.00 N ATOM 0 H ASN A 49 84.879 -10.481 5.666 1.00 0.00 H new ATOM 0 HA ASN A 49 85.871 -7.860 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.268 -9.918 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.176 -8.421 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 49 89.071 -11.165 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.416 -11.025 4.184 1.00 0.00 H new ATOM 736 N ALA A 50 83.406 -7.850 4.273 1.00 0.00 N ATOM 737 CA ALA A 50 82.535 -7.099 3.374 1.00 0.00 C ATOM 738 C ALA A 50 81.168 -7.761 3.374 1.00 0.00 C ATOM 739 O ALA A 50 81.085 -8.959 3.148 1.00 0.00 O ATOM 740 CB ALA A 50 83.120 -7.090 1.956 1.00 0.00 C ATOM 0 H ALA A 50 82.923 -8.548 4.839 1.00 0.00 H new ATOM 0 HA ALA A 50 82.450 -6.066 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.462 -6.527 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.105 -6.623 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.210 -8.114 1.593 1.00 0.00 H new ATOM 746 N GLU A 51 80.115 -6.975 3.601 1.00 0.00 N ATOM 747 CA GLU A 51 78.743 -7.495 3.610 1.00 0.00 C ATOM 748 C GLU A 51 77.777 -6.372 3.947 1.00 0.00 C ATOM 749 O GLU A 51 78.150 -5.425 4.658 1.00 0.00 O ATOM 750 CB GLU A 51 78.582 -8.626 4.643 1.00 0.00 C ATOM 751 CG GLU A 51 77.121 -9.100 4.674 1.00 0.00 C ATOM 752 CD GLU A 51 76.985 -10.309 5.594 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.001 -10.909 5.907 1.00 0.00 O ATOM 754 OE2 GLU A 51 75.866 -10.613 5.974 1.00 0.00 O1- ATOM 0 H GLU A 51 80.184 -5.974 3.782 1.00 0.00 H new ATOM 0 HA GLU A 51 78.526 -7.896 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.238 -9.458 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.881 -8.274 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.476 -8.293 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.793 -9.360 3.668 1.00 0.00 H new ATOM 761 N VAL A 52 76.542 -6.435 3.430 1.00 0.00 N ATOM 762 CA VAL A 52 75.573 -5.376 3.701 1.00 0.00 C ATOM 763 C VAL A 52 74.768 -5.677 4.965 1.00 0.00 C ATOM 764 O VAL A 52 74.298 -6.795 5.177 1.00 0.00 O ATOM 765 CB VAL A 52 74.621 -5.239 2.506 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.653 -4.077 2.757 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.431 -4.980 1.217 1.00 0.00 C ATOM 0 H VAL A 52 76.200 -7.191 2.836 1.00 0.00 H new ATOM 0 HA VAL A 52 76.115 -4.443 3.855 1.00 0.00 H new ATOM 0 HB VAL A 52 74.054 -6.162 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 52 72.976 -3.978 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.076 -4.273 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.218 -3.153 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.749 -4.884 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.005 -4.060 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.111 -5.813 1.041 1.00 0.00 H new ATOM 777 N VAL A 53 74.604 -4.644 5.782 1.00 0.00 N ATOM 778 CA VAL A 53 73.842 -4.724 7.029 1.00 0.00 C ATOM 779 C VAL A 53 72.953 -3.489 7.121 1.00 0.00 C ATOM 780 O VAL A 53 73.395 -2.399 6.774 1.00 0.00 O ATOM 781 CB VAL A 53 74.801 -4.763 8.227 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.369 -6.173 8.392 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.955 -3.785 7.980 1.00 0.00 C ATOM 0 H VAL A 53 74.997 -3.720 5.600 1.00 0.00 H new ATOM 0 HA VAL A 53 73.235 -5.630 7.041 1.00 0.00 H new ATOM 0 HB VAL A 53 74.259 -4.483 9.130 1.00 0.00 H new ATOM 0 HG11 VAL A 53 76.049 -6.194 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.554 -6.876 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.910 -6.455 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 53 76.640 -3.808 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.489 -4.073 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 53 75.558 -2.777 7.862 1.00 0.00 H new ATOM 793 N PHE A 54 71.706 -3.642 7.576 1.00 0.00 N ATOM 794 CA PHE A 54 70.812 -2.482 7.676 1.00 0.00 C ATOM 795 C PHE A 54 69.761 -2.662 8.767 1.00 0.00 C ATOM 796 O PHE A 54 69.360 -3.781 9.085 1.00 0.00 O ATOM 797 CB PHE A 54 70.111 -2.247 6.335 1.00 0.00 C ATOM 798 CG PHE A 54 69.178 -3.391 6.033 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.661 -4.539 5.395 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.826 -3.300 6.385 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.791 -5.599 5.111 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.956 -4.359 6.100 1.00 0.00 C ATOM 803 CZ PHE A 54 67.438 -5.509 5.463 1.00 0.00 C ATOM 0 H PHE A 54 71.300 -4.529 7.873 1.00 0.00 H new ATOM 0 HA PHE A 54 71.426 -1.620 7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.553 -1.311 6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 54 70.851 -2.151 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.704 -4.607 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.454 -2.413 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 54 69.163 -6.486 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.913 -4.289 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.767 -6.326 5.243 1.00 0.00 H new ATOM 813 N PHE A 55 69.336 -1.536 9.352 1.00 0.00 N ATOM 814 CA PHE A 55 68.341 -1.547 10.429 1.00 0.00 C ATOM 815 C PHE A 55 67.152 -0.658 10.080 1.00 0.00 C ATOM 816 O PHE A 55 67.104 -0.052 9.008 1.00 0.00 O ATOM 817 CB PHE A 55 68.981 -1.024 11.719 1.00 0.00 C ATOM 818 CG PHE A 55 70.362 -1.615 11.859 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.517 -2.986 12.093 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.491 -0.793 11.743 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.798 -3.535 12.209 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.770 -1.342 11.862 1.00 0.00 C ATOM 823 CZ PHE A 55 72.925 -2.710 12.093 1.00 0.00 C ATOM 0 H PHE A 55 69.666 -0.605 9.097 1.00 0.00 H new ATOM 0 HA PHE A 55 67.993 -2.571 10.562 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.038 0.064 11.696 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.368 -1.293 12.579 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.647 -3.620 12.184 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.372 0.265 11.562 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.919 -4.593 12.388 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.640 -0.708 11.775 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.915 -3.133 12.182 1.00 0.00 H new ATOM 833 N GLU A 56 66.206 -0.577 11.009 1.00 0.00 N ATOM 834 CA GLU A 56 65.020 0.249 10.825 1.00 0.00 C ATOM 835 C GLU A 56 64.262 -0.138 9.558 1.00 0.00 C ATOM 836 O GLU A 56 63.550 0.679 8.975 1.00 0.00 O ATOM 837 CB GLU A 56 65.422 1.721 10.771 1.00 0.00 C ATOM 838 CG GLU A 56 65.940 2.155 12.143 1.00 0.00 C ATOM 839 CD GLU A 56 66.424 3.599 12.081 1.00 0.00 C ATOM 840 OE1 GLU A 56 66.274 4.210 11.035 1.00 0.00 O ATOM 841 OE2 GLU A 56 66.939 4.076 13.080 1.00 0.00 O1- ATOM 0 H GLU A 56 66.238 -1.075 11.899 1.00 0.00 H new ATOM 0 HA GLU A 56 64.354 0.084 11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.192 1.872 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.567 2.333 10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.149 2.059 12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.755 1.502 12.457 1.00 0.00 H new ATOM 848 N ASN A 57 64.428 -1.390 9.150 1.00 0.00 N ATOM 849 CA ASN A 57 63.765 -1.920 7.959 1.00 0.00 C ATOM 850 C ASN A 57 64.252 -1.255 6.668 1.00 0.00 C ATOM 851 O ASN A 57 63.485 -1.108 5.716 1.00 0.00 O ATOM 852 CB ASN A 57 62.246 -1.746 8.080 1.00 0.00 C ATOM 853 CG ASN A 57 61.774 -2.271 9.432 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.866 -1.700 10.039 1.00 0.00 O ATOM 855 ND2 ASN A 57 62.339 -3.330 9.941 1.00 0.00 N ATOM 0 H ASN A 57 65.022 -2.066 9.631 1.00 0.00 H new ATOM 0 HA ASN A 57 64.020 -2.978 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.981 -0.694 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.744 -2.283 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 57 62.030 -3.689 10.844 1.00 0.00 H new ATOM 0 HD22 ASN A 57 63.090 -3.800 9.436 1.00 0.00 H new ATOM 862 N GLY A 58 65.538 -0.889 6.618 1.00 0.00 N ATOM 863 CA GLY A 58 66.112 -0.283 5.407 1.00 0.00 C ATOM 864 C GLY A 58 66.183 1.243 5.478 1.00 0.00 C ATOM 865 O GLY A 58 66.760 1.878 4.595 1.00 0.00 O ATOM 0 H GLY A 58 66.195 -0.999 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.114 -0.681 5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.514 -0.574 4.543 1.00 0.00 H new ATOM 869 N LEU A 59 65.607 1.829 6.517 1.00 0.00 N ATOM 870 CA LEU A 59 65.629 3.281 6.657 1.00 0.00 C ATOM 871 C LEU A 59 67.072 3.772 6.789 1.00 0.00 C ATOM 872 O LEU A 59 67.389 4.909 6.439 1.00 0.00 O ATOM 873 CB LEU A 59 64.813 3.709 7.889 1.00 0.00 C ATOM 874 CG LEU A 59 64.356 5.176 7.750 1.00 0.00 C ATOM 875 CD1 LEU A 59 63.060 5.252 6.932 1.00 0.00 C ATOM 876 CD2 LEU A 59 64.099 5.771 9.136 1.00 0.00 C ATOM 0 H LEU A 59 65.125 1.332 7.266 1.00 0.00 H new ATOM 0 HA LEU A 59 65.182 3.726 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.944 3.060 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.415 3.593 8.790 1.00 0.00 H new ATOM 0 HG LEU A 59 65.141 5.737 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.748 6.292 6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.232 4.836 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.279 4.681 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.776 6.807 9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.321 5.197 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 59 65.016 5.733 9.724 1.00 0.00 H new ATOM 888 N ARG A 60 67.941 2.895 7.293 1.00 0.00 N ATOM 889 CA ARG A 60 69.357 3.233 7.473 1.00 0.00 C ATOM 890 C ARG A 60 70.247 2.100 6.968 1.00 0.00 C ATOM 891 O ARG A 60 70.578 1.187 7.717 1.00 0.00 O ATOM 892 CB ARG A 60 69.636 3.464 8.965 1.00 0.00 C ATOM 893 CG ARG A 60 70.976 4.199 9.158 1.00 0.00 C ATOM 894 CD ARG A 60 70.763 5.715 9.074 1.00 0.00 C ATOM 895 NE ARG A 60 72.031 6.411 9.251 1.00 0.00 N ATOM 896 CZ ARG A 60 72.097 7.739 9.234 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.134 8.449 9.755 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 73.122 8.332 8.689 1.00 0.00 N ATOM 0 H ARG A 60 67.693 1.949 7.583 1.00 0.00 H new ATOM 0 HA ARG A 60 69.577 4.136 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.828 4.048 9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.661 2.508 9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.407 3.938 10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 60 71.687 3.881 8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 60 70.328 5.976 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.055 6.033 9.839 1.00 0.00 H new ATOM 0 HE ARG A 60 72.884 5.869 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.329 7.985 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.186 9.468 9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.872 7.777 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.174 9.351 8.675 1.00 0.00 H new ATOM 912 N HIS A 61 70.583 2.136 5.682 1.00 0.00 N ATOM 913 CA HIS A 61 71.395 1.073 5.085 1.00 0.00 C ATOM 914 C HIS A 61 72.884 1.231 5.400 1.00 0.00 C ATOM 915 O HIS A 61 73.556 2.078 4.828 1.00 0.00 O ATOM 916 CB HIS A 61 71.200 1.057 3.560 1.00 0.00 C ATOM 917 CG HIS A 61 69.873 0.434 3.212 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.734 1.188 2.981 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.495 -0.876 3.049 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.734 0.334 2.693 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.145 -0.937 2.721 1.00 0.00 N ATOM 0 H HIS A 61 70.311 2.878 5.038 1.00 0.00 H new ATOM 0 HA HIS A 61 71.059 0.132 5.520 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.246 2.074 3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.008 0.497 3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.147 -1.730 3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.723 0.639 2.467 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.588 -1.772 2.541 1.00 0.00 H new ATOM 929 N LEU A 62 73.393 0.364 6.284 1.00 0.00 N ATOM 930 CA LEU A 62 74.821 0.372 6.646 1.00 0.00 C ATOM 931 C LEU A 62 75.590 -0.586 5.735 1.00 0.00 C ATOM 932 O LEU A 62 75.042 -1.580 5.270 1.00 0.00 O ATOM 933 CB LEU A 62 75.036 -0.094 8.109 1.00 0.00 C ATOM 934 CG LEU A 62 74.734 1.026 9.120 1.00 0.00 C ATOM 935 CD1 LEU A 62 75.901 2.034 9.195 1.00 0.00 C ATOM 936 CD2 LEU A 62 73.429 1.725 8.734 1.00 0.00 C ATOM 0 H LEU A 62 72.843 -0.350 6.761 1.00 0.00 H new ATOM 0 HA LEU A 62 75.181 1.395 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.395 -0.951 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.066 -0.429 8.235 1.00 0.00 H new ATOM 0 HG LEU A 62 74.620 0.586 10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 62 75.661 2.815 9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.809 1.517 9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.058 2.482 8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 73.215 2.518 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 62 73.527 2.154 7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 62 72.613 1.002 8.740 1.00 0.00 H new ATOM 948 N LEU A 63 76.868 -0.292 5.508 1.00 0.00 N ATOM 949 CA LEU A 63 77.719 -1.152 4.678 1.00 0.00 C ATOM 950 C LEU A 63 79.146 -1.104 5.216 1.00 0.00 C ATOM 951 O LEU A 63 79.798 -0.060 5.147 1.00 0.00 O ATOM 952 CB LEU A 63 77.691 -0.665 3.226 1.00 0.00 C ATOM 953 CG LEU A 63 78.256 -1.740 2.273 1.00 0.00 C ATOM 954 CD1 LEU A 63 77.840 -1.409 0.828 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.795 -1.805 2.373 1.00 0.00 C ATOM 0 H LEU A 63 77.339 0.531 5.884 1.00 0.00 H new ATOM 0 HA LEU A 63 77.350 -2.177 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.668 -0.421 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.275 0.251 3.134 1.00 0.00 H new ATOM 0 HG LEU A 63 77.853 -2.711 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.238 -2.166 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 63 76.752 -1.394 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.235 -0.432 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.172 -2.569 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 63 80.218 -0.838 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 80.083 -2.054 3.394 1.00 0.00 H new ATOM 967 N LEU A 64 79.621 -2.214 5.801 1.00 0.00 N ATOM 968 CA LEU A 64 80.965 -2.245 6.399 1.00 0.00 C ATOM 969 C LEU A 64 81.910 -3.165 5.630 1.00 0.00 C ATOM 970 O LEU A 64 81.577 -4.317 5.349 1.00 0.00 O ATOM 971 CB LEU A 64 80.832 -2.753 7.844 1.00 0.00 C ATOM 972 CG LEU A 64 82.139 -2.550 8.646 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.805 -2.474 10.141 1.00 0.00 C ATOM 974 CD2 LEU A 64 83.120 -3.720 8.419 1.00 0.00 C ATOM 0 H LEU A 64 79.104 -3.090 5.873 1.00 0.00 H new ATOM 0 HA LEU A 64 81.385 -1.240 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.016 -2.228 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.572 -3.811 7.835 1.00 0.00 H new ATOM 0 HG LEU A 64 82.609 -1.627 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 64 82.722 -2.331 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 81.131 -1.636 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.324 -3.401 10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.029 -3.549 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 64 82.656 -4.652 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 64 83.369 -3.786 7.360 1.00 0.00 H new ATOM 986 N LEU A 65 83.111 -2.658 5.327 1.00 0.00 N ATOM 987 CA LEU A 65 84.130 -3.456 4.628 1.00 0.00 C ATOM 988 C LEU A 65 85.499 -3.241 5.280 1.00 0.00 C ATOM 989 O LEU A 65 85.940 -2.104 5.456 1.00 0.00 O ATOM 990 CB LEU A 65 84.205 -3.080 3.138 1.00 0.00 C ATOM 991 CG LEU A 65 84.243 -1.540 2.956 1.00 0.00 C ATOM 992 CD1 LEU A 65 85.100 -1.181 1.736 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.825 -0.991 2.744 1.00 0.00 C ATOM 0 H LEU A 65 83.401 -1.706 5.552 1.00 0.00 H new ATOM 0 HA LEU A 65 83.847 -4.506 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.094 -3.525 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 83.344 -3.491 2.611 1.00 0.00 H new ATOM 0 HG LEU A 65 84.672 -1.098 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 65 85.123 -0.098 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 65 86.115 -1.551 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.672 -1.638 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.869 0.091 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 65 82.389 -1.443 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.209 -1.231 3.611 1.00 0.00 H new ATOM 1005 N LYS A 66 86.153 -4.330 5.692 1.00 0.00 N ATOM 1006 CA LYS A 66 87.445 -4.244 6.380 1.00 0.00 C ATOM 1007 C LYS A 66 88.604 -4.583 5.433 1.00 0.00 C ATOM 1008 O LYS A 66 88.456 -4.553 4.212 1.00 0.00 O ATOM 1009 CB LYS A 66 87.469 -5.226 7.556 1.00 0.00 C ATOM 1010 CG LYS A 66 86.319 -4.926 8.516 1.00 0.00 C ATOM 1011 CD LYS A 66 86.395 -5.901 9.691 1.00 0.00 C ATOM 1012 CE LYS A 66 85.212 -5.673 10.626 1.00 0.00 C ATOM 1013 NZ LYS A 66 85.327 -6.585 11.798 1.00 0.00 N1+ ATOM 0 H LYS A 66 85.810 -5.282 5.561 1.00 0.00 H new ATOM 0 HA LYS A 66 87.568 -3.221 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.388 -6.249 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.421 -5.152 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.383 -3.898 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.362 -5.026 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 66 86.389 -6.928 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.331 -5.761 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.192 -4.635 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 66 84.276 -5.857 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.521 -6.432 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.327 -7.572 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 86.214 -6.389 12.305 1.00 0.00 H new ATOM 1027 N ASN A 67 89.746 -4.938 6.020 1.00 0.00 N ATOM 1028 CA ASN A 67 90.924 -5.319 5.242 1.00 0.00 C ATOM 1029 C ASN A 67 91.129 -4.366 4.070 1.00 0.00 C ATOM 1030 O ASN A 67 91.332 -4.796 2.933 1.00 0.00 O ATOM 1031 CB ASN A 67 90.765 -6.751 4.722 1.00 0.00 C ATOM 1032 CG ASN A 67 90.863 -7.740 5.880 1.00 0.00 C ATOM 1033 OD1 ASN A 67 91.348 -7.390 6.955 1.00 0.00 O ATOM 1034 ND2 ASN A 67 90.436 -8.964 5.722 1.00 0.00 N ATOM 0 H ASN A 67 89.881 -4.970 7.031 1.00 0.00 H new ATOM 0 HA ASN A 67 91.798 -5.264 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 67 89.804 -6.860 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.537 -6.966 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.504 -9.631 6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.034 -9.253 4.830 1.00 0.00 H new ATOM 1041 N LEU A 68 91.053 -3.072 4.352 1.00 0.00 N ATOM 1042 CA LEU A 68 91.207 -2.069 3.306 1.00 0.00 C ATOM 1043 C LEU A 68 92.574 -2.166 2.646 1.00 0.00 C ATOM 1044 O LEU A 68 93.581 -2.446 3.296 1.00 0.00 O ATOM 1045 CB LEU A 68 91.028 -0.661 3.877 1.00 0.00 C ATOM 1046 CG LEU A 68 89.590 -0.463 4.372 1.00 0.00 C ATOM 1047 CD1 LEU A 68 89.482 0.918 5.028 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.595 -0.553 3.194 1.00 0.00 C ATOM 0 H LEU A 68 90.888 -2.695 5.285 1.00 0.00 H new ATOM 0 HA LEU A 68 90.438 -2.261 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.727 -0.503 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 68 91.262 0.080 3.113 1.00 0.00 H new ATOM 0 HG LEU A 68 89.346 -1.244 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 68 88.464 1.073 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 68 90.174 0.977 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 68 89.731 1.688 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.580 -0.410 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.827 0.221 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.675 -1.533 2.724 1.00 0.00 H new ATOM 1060 N ARG A 69 92.591 -1.919 1.339 1.00 0.00 N ATOM 1061 CA ARG A 69 93.823 -1.956 0.554 1.00 0.00 C ATOM 1062 C ARG A 69 93.787 -0.818 -0.473 1.00 0.00 C ATOM 1063 O ARG A 69 92.707 -0.429 -0.919 1.00 0.00 O ATOM 1064 CB ARG A 69 93.964 -3.320 -0.170 1.00 0.00 C ATOM 1065 CG ARG A 69 93.089 -4.374 0.515 1.00 0.00 C ATOM 1066 CD ARG A 69 93.357 -5.745 -0.105 1.00 0.00 C ATOM 1067 NE ARG A 69 93.284 -5.669 -1.559 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.238 -6.771 -2.301 1.00 0.00 C ATOM 1069 NH1 ARG A 69 94.090 -7.733 -2.086 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 92.345 -6.885 -3.245 1.00 0.00 N ATOM 0 H ARG A 69 91.758 -1.689 0.797 1.00 0.00 H new ATOM 0 HA ARG A 69 94.680 -1.832 1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.672 -3.217 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.006 -3.639 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.302 -4.399 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.036 -4.114 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.341 -6.102 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 69 92.629 -6.467 0.265 1.00 0.00 H new ATOM 0 HE ARG A 69 93.268 -4.756 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.790 -7.639 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 69 94.057 -8.580 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 69 91.682 -6.129 -3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 69 92.310 -7.731 -3.814 1.00 0.00 H new ATOM 1084 N PRO A 70 94.916 -0.287 -0.873 1.00 0.00 N ATOM 1085 CA PRO A 70 94.928 0.800 -1.883 1.00 0.00 C ATOM 1086 C PRO A 70 94.128 0.348 -3.100 1.00 0.00 C ATOM 1087 O PRO A 70 93.351 1.106 -3.681 1.00 0.00 O ATOM 1088 CB PRO A 70 96.422 1.007 -2.234 1.00 0.00 C ATOM 1089 CG PRO A 70 97.210 -0.003 -1.432 1.00 0.00 C ATOM 1090 CD PRO A 70 96.260 -0.649 -0.411 1.00 0.00 C ATOM 0 HA PRO A 70 94.480 1.728 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.590 0.867 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.738 2.022 -1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.636 -0.762 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.043 0.482 -0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.390 -1.731 -0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.447 -0.275 0.596 1.00 0.00 H new ATOM 1098 N GLN A 71 94.345 -0.910 -3.465 1.00 0.00 N ATOM 1099 CA GLN A 71 93.665 -1.502 -4.606 1.00 0.00 C ATOM 1100 C GLN A 71 92.154 -1.382 -4.455 1.00 0.00 C ATOM 1101 O GLN A 71 91.471 -0.923 -5.370 1.00 0.00 O ATOM 1102 CB GLN A 71 94.057 -2.977 -4.724 1.00 0.00 C ATOM 1103 CG GLN A 71 93.298 -3.632 -5.883 1.00 0.00 C ATOM 1104 CD GLN A 71 93.860 -5.026 -6.144 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.950 -5.353 -5.675 1.00 0.00 O ATOM 1106 NE2 GLN A 71 93.183 -5.867 -6.876 1.00 0.00 N ATOM 0 H GLN A 71 94.988 -1.539 -2.985 1.00 0.00 H new ATOM 0 HA GLN A 71 93.965 -0.968 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 71 95.131 -3.064 -4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.833 -3.497 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.236 -3.696 -5.645 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.387 -3.020 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 71 92.280 -5.594 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 71 93.557 -6.798 -7.061 1.00 0.00 H new ATOM 1115 N ASP A 72 91.624 -1.831 -3.323 1.00 0.00 N ATOM 1116 CA ASP A 72 90.184 -1.806 -3.095 1.00 0.00 C ATOM 1117 C ASP A 72 89.562 -0.431 -3.334 1.00 0.00 C ATOM 1118 O ASP A 72 88.457 -0.352 -3.871 1.00 0.00 O ATOM 1119 CB ASP A 72 89.886 -2.253 -1.662 1.00 0.00 C ATOM 1120 CG ASP A 72 88.379 -2.290 -1.419 1.00 0.00 C ATOM 1121 OD1 ASP A 72 87.644 -1.881 -2.300 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 87.984 -2.736 -0.355 1.00 0.00 O ATOM 0 H ASP A 72 92.168 -2.216 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 72 89.737 -2.490 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.314 -3.240 -1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.358 -1.570 -0.956 1.00 0.00 H new ATOM 1127 N SER A 73 90.221 0.659 -2.941 1.00 0.00 N ATOM 1128 CA SER A 73 89.624 1.975 -3.147 1.00 0.00 C ATOM 1129 C SER A 73 89.110 2.123 -4.570 1.00 0.00 C ATOM 1130 O SER A 73 89.803 1.792 -5.533 1.00 0.00 O ATOM 1131 CB SER A 73 90.649 3.075 -2.852 1.00 0.00 C ATOM 1132 OG SER A 73 91.446 3.296 -4.008 1.00 0.00 O ATOM 0 H SER A 73 91.137 0.659 -2.493 1.00 0.00 H new ATOM 0 HA SER A 73 88.782 2.073 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 73 90.140 3.995 -2.566 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.279 2.785 -2.011 1.00 0.00 H new ATOM 0 HG SER A 73 92.148 2.614 -4.057 1.00 0.00 H new ATOM 1138 N CYS A 74 87.880 2.608 -4.693 1.00 0.00 N ATOM 1139 CA CYS A 74 87.276 2.778 -6.005 1.00 0.00 C ATOM 1140 C CYS A 74 85.963 3.554 -5.921 1.00 0.00 C ATOM 1141 O CYS A 74 85.859 4.556 -5.214 1.00 0.00 O ATOM 1142 CB CYS A 74 87.026 1.401 -6.630 1.00 0.00 C ATOM 1143 SG CYS A 74 86.855 1.569 -8.424 1.00 0.00 S ATOM 0 H CYS A 74 87.289 2.887 -3.910 1.00 0.00 H new ATOM 0 HA CYS A 74 87.963 3.352 -6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.851 0.729 -6.395 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.124 0.958 -6.209 1.00 0.00 H new ATOM 0 HG CYS A 74 86.645 0.399 -8.951 1.00 0.00 H new ATOM 1149 N ARG A 75 84.973 3.081 -6.676 1.00 0.00 N ATOM 1150 CA ARG A 75 83.658 3.715 -6.734 1.00 0.00 C ATOM 1151 C ARG A 75 82.620 2.922 -5.947 1.00 0.00 C ATOM 1152 O ARG A 75 82.556 1.694 -6.039 1.00 0.00 O ATOM 1153 CB ARG A 75 83.223 3.800 -8.202 1.00 0.00 C ATOM 1154 CG ARG A 75 81.794 4.350 -8.318 1.00 0.00 C ATOM 1155 CD ARG A 75 81.407 4.403 -9.792 1.00 0.00 C ATOM 1156 NE ARG A 75 80.116 5.060 -9.964 1.00 0.00 N ATOM 1157 CZ ARG A 75 79.432 4.932 -11.096 1.00 0.00 C ATOM 1158 NH1 ARG A 75 80.045 4.558 -12.185 1.00 0.00 N ATOM 1159 NH2 ARG A 75 78.149 5.176 -11.121 1.00 0.00 N1+ ATOM 0 H ARG A 75 85.059 2.251 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 75 83.729 4.708 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.910 4.442 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.275 2.812 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.099 3.715 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.735 5.345 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 75 82.171 4.939 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.363 3.392 -10.198 1.00 0.00 H new ATOM 0 HE ARG A 75 79.733 5.625 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 75 81.046 4.365 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 75 79.523 4.459 -13.056 1.00 0.00 H new ATOM 0 HH21 ARG A 75 77.668 5.466 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 75 77.628 5.077 -11.992 1.00 0.00 H new ATOM 1173 N VAL A 76 81.777 3.644 -5.209 1.00 0.00 N ATOM 1174 CA VAL A 76 80.694 3.026 -4.441 1.00 0.00 C ATOM 1175 C VAL A 76 79.366 3.541 -4.996 1.00 0.00 C ATOM 1176 O VAL A 76 79.137 4.751 -5.037 1.00 0.00 O ATOM 1177 CB VAL A 76 80.824 3.387 -2.957 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.806 2.593 -2.137 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.234 3.049 -2.469 1.00 0.00 C ATOM 0 H VAL A 76 81.823 4.660 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 76 80.742 1.941 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 76 80.637 4.454 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.904 2.855 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.799 2.832 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.989 1.526 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.325 3.306 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.418 1.983 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.964 3.617 -3.045 1.00 0.00 H new ATOM 1189 N THR A 77 78.501 2.628 -5.457 1.00 0.00 N ATOM 1190 CA THR A 77 77.213 3.029 -6.044 1.00 0.00 C ATOM 1191 C THR A 77 76.038 2.270 -5.430 1.00 0.00 C ATOM 1192 O THR A 77 76.042 1.041 -5.357 1.00 0.00 O ATOM 1193 CB THR A 77 77.232 2.773 -7.551 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.304 3.494 -8.144 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.908 3.234 -8.159 1.00 0.00 C ATOM 0 H THR A 77 78.664 1.621 -5.437 1.00 0.00 H new ATOM 0 HA THR A 77 77.078 4.090 -5.835 1.00 0.00 H new ATOM 0 HB THR A 77 77.368 1.708 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.316 3.327 -9.110 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.919 3.053 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.087 2.679 -7.705 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.773 4.299 -7.972 1.00 0.00 H new ATOM 1203 N PHE A 78 75.021 3.026 -5.021 1.00 0.00 N ATOM 1204 CA PHE A 78 73.802 2.461 -4.437 1.00 0.00 C ATOM 1205 C PHE A 78 72.599 2.965 -5.236 1.00 0.00 C ATOM 1206 O PHE A 78 72.341 4.167 -5.280 1.00 0.00 O ATOM 1207 CB PHE A 78 73.704 2.897 -2.970 1.00 0.00 C ATOM 1208 CG PHE A 78 72.335 2.579 -2.407 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.893 1.253 -2.349 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.518 3.611 -1.921 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.637 0.956 -1.806 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.263 3.314 -1.382 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.823 1.987 -1.323 1.00 0.00 C ATOM 0 H PHE A 78 75.017 4.044 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 78 73.822 1.372 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.470 2.391 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.896 3.967 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.521 0.458 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.859 4.635 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.297 -0.068 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.633 4.109 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.854 1.758 -0.904 1.00 0.00 H new ATOM 1223 N LEU A 79 71.900 2.049 -5.915 1.00 0.00 N ATOM 1224 CA LEU A 79 70.764 2.431 -6.767 1.00 0.00 C ATOM 1225 C LEU A 79 69.409 1.985 -6.215 1.00 0.00 C ATOM 1226 O LEU A 79 68.972 0.854 -6.433 1.00 0.00 O ATOM 1227 CB LEU A 79 70.984 1.823 -8.160 1.00 0.00 C ATOM 1228 CG LEU A 79 69.751 2.028 -9.051 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.325 3.496 -9.021 1.00 0.00 C ATOM 1230 CD2 LEU A 79 70.102 1.629 -10.484 1.00 0.00 C ATOM 0 H LEU A 79 72.096 1.048 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 79 70.730 3.520 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.855 2.282 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.196 0.758 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 79 68.930 1.412 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.450 3.634 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 79 69.081 3.783 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.141 4.119 -9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.232 1.771 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.923 2.249 -10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.402 0.581 -10.507 1.00 0.00 H new ATOM 1242 N ALA A 80 68.742 2.901 -5.513 1.00 0.00 N ATOM 1243 CA ALA A 80 67.420 2.631 -4.944 1.00 0.00 C ATOM 1244 C ALA A 80 66.337 3.183 -5.869 1.00 0.00 C ATOM 1245 O ALA A 80 65.822 4.277 -5.644 1.00 0.00 O ATOM 1246 CB ALA A 80 67.294 3.300 -3.573 1.00 0.00 C ATOM 0 H ALA A 80 69.096 3.839 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 80 67.298 1.553 -4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.308 3.094 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.059 2.906 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.425 4.377 -3.680 1.00 0.00 H new ATOM 1252 N GLY A 81 65.989 2.419 -6.902 1.00 0.00 N ATOM 1253 CA GLY A 81 64.963 2.853 -7.848 1.00 0.00 C ATOM 1254 C GLY A 81 65.231 4.279 -8.320 1.00 0.00 C ATOM 1255 O GLY A 81 66.383 4.663 -8.510 1.00 0.00 O ATOM 0 H GLY A 81 66.397 1.506 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.943 2.179 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.981 2.799 -7.377 1.00 0.00 H new ATOM 1259 N ASP A 82 64.154 5.035 -8.559 1.00 0.00 N ATOM 1260 CA ASP A 82 64.228 6.417 -9.059 1.00 0.00 C ATOM 1261 C ASP A 82 65.294 7.288 -8.371 1.00 0.00 C ATOM 1262 O ASP A 82 65.400 8.475 -8.674 1.00 0.00 O ATOM 1263 CB ASP A 82 62.853 7.073 -8.861 1.00 0.00 C ATOM 1264 CG ASP A 82 61.836 6.454 -9.815 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.256 5.808 -10.760 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 60.652 6.637 -9.586 1.00 0.00 O ATOM 0 H ASP A 82 63.200 4.706 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 82 64.517 6.355 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.524 6.942 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.924 8.146 -9.039 1.00 0.00 H new ATOM 1271 N MET A 83 66.089 6.712 -7.473 1.00 0.00 N ATOM 1272 CA MET A 83 67.144 7.463 -6.786 1.00 0.00 C ATOM 1273 C MET A 83 68.498 6.792 -7.010 1.00 0.00 C ATOM 1274 O MET A 83 68.649 5.593 -6.787 1.00 0.00 O ATOM 1275 CB MET A 83 66.836 7.542 -5.288 1.00 0.00 C ATOM 1276 CG MET A 83 65.474 8.234 -5.069 1.00 0.00 C ATOM 1277 SD MET A 83 64.169 6.986 -4.944 1.00 0.00 S ATOM 1278 CE MET A 83 64.378 6.615 -3.183 1.00 0.00 C ATOM 0 H MET A 83 66.026 5.731 -7.202 1.00 0.00 H new ATOM 0 HA MET A 83 67.183 8.473 -7.193 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.819 6.541 -4.858 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.622 8.096 -4.775 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.503 8.836 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 83 65.263 8.913 -5.895 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.169 5.560 -3.006 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.402 6.837 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 83 63.689 7.225 -2.598 1.00 0.00 H new ATOM 1288 N VAL A 84 69.479 7.581 -7.454 1.00 0.00 N ATOM 1289 CA VAL A 84 70.830 7.067 -7.717 1.00 0.00 C ATOM 1290 C VAL A 84 71.867 7.937 -7.009 1.00 0.00 C ATOM 1291 O VAL A 84 71.805 9.165 -7.069 1.00 0.00 O ATOM 1292 CB VAL A 84 71.097 7.065 -9.228 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.836 8.458 -9.802 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.549 6.662 -9.503 1.00 0.00 C ATOM 0 H VAL A 84 69.366 8.578 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 84 70.904 6.048 -7.337 1.00 0.00 H new ATOM 0 HB VAL A 84 70.429 6.347 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 84 71.027 8.451 -10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.798 8.738 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.496 9.179 -9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.730 6.663 -10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.221 7.372 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.731 5.663 -9.106 1.00 0.00 H new ATOM 1304 N THR A 85 72.810 7.293 -6.322 1.00 0.00 N ATOM 1305 CA THR A 85 73.847 8.021 -5.581 1.00 0.00 C ATOM 1306 C THR A 85 75.213 7.360 -5.789 1.00 0.00 C ATOM 1307 O THR A 85 75.298 6.150 -5.999 1.00 0.00 O ATOM 1308 CB THR A 85 73.480 8.025 -4.086 1.00 0.00 C ATOM 1309 OG1 THR A 85 74.010 6.858 -3.470 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.948 8.024 -3.944 1.00 0.00 C ATOM 0 H THR A 85 72.880 6.277 -6.261 1.00 0.00 H new ATOM 0 HA THR A 85 73.906 9.046 -5.947 1.00 0.00 H new ATOM 0 HB THR A 85 73.894 8.912 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.649 6.775 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.681 8.027 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.537 8.912 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.539 7.132 -4.419 1.00 0.00 H new ATOM 1318 N SER A 86 76.281 8.161 -5.733 1.00 0.00 N ATOM 1319 CA SER A 86 77.637 7.634 -5.921 1.00 0.00 C ATOM 1320 C SER A 86 78.676 8.522 -5.236 1.00 0.00 C ATOM 1321 O SER A 86 78.626 9.747 -5.350 1.00 0.00 O ATOM 1322 CB SER A 86 77.955 7.543 -7.415 1.00 0.00 C ATOM 1323 OG SER A 86 79.330 7.231 -7.586 1.00 0.00 O ATOM 0 H SER A 86 76.236 9.165 -5.561 1.00 0.00 H new ATOM 0 HA SER A 86 77.679 6.642 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.336 6.778 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.721 8.488 -7.906 1.00 0.00 H new ATOM 0 HG SER A 86 79.652 7.620 -8.426 1.00 0.00 H new ATOM 1329 N ALA A 87 79.613 7.898 -4.515 1.00 0.00 N ATOM 1330 CA ALA A 87 80.659 8.644 -3.801 1.00 0.00 C ATOM 1331 C ALA A 87 82.019 7.962 -3.962 1.00 0.00 C ATOM 1332 O ALA A 87 82.097 6.747 -4.148 1.00 0.00 O ATOM 1333 CB ALA A 87 80.305 8.734 -2.316 1.00 0.00 C ATOM 0 H ALA A 87 79.670 6.885 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 87 80.720 9.646 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.082 9.288 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.351 9.249 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.229 7.730 -1.899 1.00 0.00 H new ATOM 1339 N PHE A 88 83.085 8.758 -3.917 1.00 0.00 N ATOM 1340 CA PHE A 88 84.437 8.235 -4.089 1.00 0.00 C ATOM 1341 C PHE A 88 84.959 7.568 -2.814 1.00 0.00 C ATOM 1342 O PHE A 88 84.474 7.823 -1.709 1.00 0.00 O ATOM 1343 CB PHE A 88 85.388 9.366 -4.498 1.00 0.00 C ATOM 1344 CG PHE A 88 84.894 10.009 -5.775 1.00 0.00 C ATOM 1345 CD1 PHE A 88 85.297 9.505 -7.017 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.033 11.110 -5.713 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.838 10.103 -8.197 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.574 11.707 -6.893 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.977 11.204 -8.135 1.00 0.00 C ATOM 0 H PHE A 88 83.038 9.765 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 88 84.397 7.479 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.447 10.110 -3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.395 8.974 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.962 8.655 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.722 11.499 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.149 9.714 -9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.909 12.556 -6.845 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.624 11.665 -9.045 1.00 0.00 H new ATOM 1359 N LEU A 89 85.976 6.728 -3.000 1.00 0.00 N ATOM 1360 CA LEU A 89 86.628 6.013 -1.901 1.00 0.00 C ATOM 1361 C LEU A 89 88.134 6.225 -2.020 1.00 0.00 C ATOM 1362 O LEU A 89 88.675 6.222 -3.126 1.00 0.00 O ATOM 1363 CB LEU A 89 86.278 4.520 -1.979 1.00 0.00 C ATOM 1364 CG LEU A 89 87.047 3.716 -0.915 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.722 4.244 0.491 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.647 2.231 -1.011 1.00 0.00 C ATOM 0 H LEU A 89 86.372 6.523 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 89 86.284 6.391 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.206 4.386 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.517 4.138 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 89 88.117 3.824 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.273 3.666 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 89 87.010 5.293 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.652 4.148 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.190 1.659 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.575 2.131 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.893 1.851 -2.003 1.00 0.00 H new ATOM 1378 N THR A 90 88.815 6.424 -0.893 1.00 0.00 N ATOM 1379 CA THR A 90 90.263 6.650 -0.920 1.00 0.00 C ATOM 1380 C THR A 90 90.954 5.953 0.247 1.00 0.00 C ATOM 1381 O THR A 90 90.586 6.143 1.406 1.00 0.00 O ATOM 1382 CB THR A 90 90.554 8.151 -0.862 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.750 8.822 -1.819 1.00 0.00 O ATOM 1384 CG2 THR A 90 92.029 8.404 -1.175 1.00 0.00 C ATOM 0 H THR A 90 88.398 6.434 0.038 1.00 0.00 H new ATOM 0 HA THR A 90 90.652 6.232 -1.848 1.00 0.00 H new ATOM 0 HB THR A 90 90.328 8.524 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.933 9.784 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.232 9.474 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.650 7.888 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.258 8.031 -2.173 1.00 0.00 H new ATOM 1392 N VAL A 91 91.981 5.167 -0.071 1.00 0.00 N ATOM 1393 CA VAL A 91 92.754 4.460 0.953 1.00 0.00 C ATOM 1394 C VAL A 91 94.244 4.622 0.666 1.00 0.00 C ATOM 1395 O VAL A 91 94.718 4.236 -0.403 1.00 0.00 O ATOM 1396 CB VAL A 91 92.375 2.973 0.937 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.171 2.203 1.997 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.881 2.836 1.234 1.00 0.00 C ATOM 0 H VAL A 91 92.298 5.003 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 91 92.533 4.876 1.936 1.00 0.00 H new ATOM 0 HB VAL A 91 92.606 2.560 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.889 1.151 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.237 2.298 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.954 2.612 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.603 1.782 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.665 3.259 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.309 3.369 0.475 1.00 0.00 H new ATOM 1408 N ARG A 92 94.984 5.220 1.608 1.00 0.00 N ATOM 1409 CA ARG A 92 96.419 5.448 1.397 1.00 0.00 C ATOM 1410 C ARG A 92 97.260 4.265 1.847 1.00 0.00 C ATOM 1411 O ARG A 92 97.122 3.774 2.966 1.00 0.00 O ATOM 1412 CB ARG A 92 96.880 6.704 2.148 1.00 0.00 C ATOM 1413 CG ARG A 92 96.217 7.941 1.536 1.00 0.00 C ATOM 1414 CD ARG A 92 96.605 9.190 2.334 1.00 0.00 C ATOM 1415 NE ARG A 92 98.033 9.456 2.204 1.00 0.00 N ATOM 1416 CZ ARG A 92 98.628 10.403 2.927 1.00 0.00 C ATOM 1417 NH1 ARG A 92 98.131 11.608 2.970 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 99.712 10.123 3.600 1.00 0.00 N ATOM 0 H ARG A 92 94.624 5.548 2.504 1.00 0.00 H new ATOM 0 HA ARG A 92 96.561 5.581 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.620 6.625 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.965 6.795 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.525 8.053 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.134 7.821 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 92 96.035 10.048 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.349 9.052 3.384 1.00 0.00 H new ATOM 0 HE ARG A 92 98.587 8.906 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 92 97.283 11.829 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 92 98.591 12.330 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 92 100.101 9.181 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 92 100.169 10.847 4.154 1.00 0.00 H new ATOM 1432 N GLY A 93 98.145 3.823 0.954 1.00 0.00 N ATOM 1433 CA GLY A 93 99.026 2.703 1.248 1.00 0.00 C ATOM 1434 C GLY A 93 100.165 3.154 2.153 1.00 0.00 C ATOM 1435 O GLY A 93 100.390 4.351 2.327 1.00 0.00 O ATOM 0 H GLY A 93 98.268 4.225 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.463 1.904 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.428 2.294 0.321 1.00 0.00 H new ATOM 1439 N GLY A 94 100.872 2.193 2.736 1.00 0.00 N ATOM 1440 CA GLY A 94 101.980 2.506 3.640 1.00 0.00 C ATOM 1441 C GLY A 94 103.282 2.715 2.877 1.00 0.00 C ATOM 1442 O GLY A 94 103.770 3.839 2.758 1.00 0.00 O ATOM 0 H GLY A 94 100.702 1.196 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 94 101.743 3.404 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 94 102.104 1.696 4.359 1.00 0.00 H new ATOM 1446 N LEU A 95 103.839 1.626 2.357 1.00 0.00 N ATOM 1447 CA LEU A 95 105.087 1.697 1.599 1.00 0.00 C ATOM 1448 C LEU A 95 104.791 2.041 0.141 1.00 0.00 C ATOM 1449 O LEU A 95 103.656 1.909 -0.316 1.00 0.00 O ATOM 1450 CB LEU A 95 105.831 0.355 1.678 1.00 0.00 C ATOM 1451 CG LEU A 95 106.552 0.201 3.034 1.00 0.00 C ATOM 1452 CD1 LEU A 95 107.797 1.103 3.101 1.00 0.00 C ATOM 1453 CD2 LEU A 95 105.597 0.557 4.180 1.00 0.00 C ATOM 0 H LEU A 95 103.450 0.687 2.445 1.00 0.00 H new ATOM 0 HA LEU A 95 105.717 2.476 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 95 105.125 -0.465 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.556 0.289 0.867 1.00 0.00 H new ATOM 0 HG LEU A 95 106.869 -0.837 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 95 108.287 0.976 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 95 108.488 0.829 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.499 2.144 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 95 106.114 0.445 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 95 105.262 1.588 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 95 104.735 -0.109 4.155 1.00 0.00 H new ATOM 1465 N GLU A 96 105.812 2.488 -0.583 1.00 0.00 N ATOM 1466 CA GLU A 96 105.629 2.853 -1.984 1.00 0.00 C ATOM 1467 C GLU A 96 105.586 1.600 -2.853 1.00 0.00 C ATOM 1468 O GLU A 96 105.118 1.636 -3.992 1.00 0.00 O ATOM 1469 CB GLU A 96 106.776 3.756 -2.442 1.00 0.00 C ATOM 1470 CG GLU A 96 106.716 5.089 -1.692 1.00 0.00 C ATOM 1471 CD GLU A 96 107.891 5.971 -2.107 1.00 0.00 C ATOM 1472 OE1 GLU A 96 108.604 5.583 -3.019 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 108.056 7.024 -1.514 1.00 0.00 O ATOM 0 H GLU A 96 106.762 2.605 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 96 104.685 3.389 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 96 107.732 3.267 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 96 106.709 3.929 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 96 105.775 5.596 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 96 106.744 4.913 -0.617 1.00 0.00 H new ATOM 1480 N HIS A 97 106.066 0.487 -2.300 1.00 0.00 N ATOM 1481 CA HIS A 97 106.070 -0.787 -3.021 1.00 0.00 C ATOM 1482 C HIS A 97 104.810 -1.585 -2.681 1.00 0.00 C ATOM 1483 O HIS A 97 104.495 -1.796 -1.510 1.00 0.00 O ATOM 1484 CB HIS A 97 107.315 -1.600 -2.645 1.00 0.00 C ATOM 1485 CG HIS A 97 107.227 -2.969 -3.264 1.00 0.00 C ATOM 1486 ND1 HIS A 97 107.533 -3.199 -4.595 1.00 0.00 N ATOM 1487 CD2 HIS A 97 106.861 -4.188 -2.747 1.00 0.00 C ATOM 1488 CE1 HIS A 97 107.348 -4.510 -4.834 1.00 0.00 C ATOM 1489 NE2 HIS A 97 106.938 -5.159 -3.740 1.00 0.00 N ATOM 0 H HIS A 97 106.456 0.440 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 97 106.086 -0.585 -4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 97 108.214 -1.090 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 97 107.394 -1.684 -1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 97 106.559 -4.365 -1.725 1.00 0.00 H new ATOM 0 HE1 HIS A 97 107.511 -4.980 -5.792 1.00 0.00 H new ATOM 0 HE2 HIS A 97 106.727 -6.153 -3.652 1.00 0.00 H new ATOM 1497 N HIS A 98 104.091 -2.023 -3.713 1.00 0.00 N ATOM 1498 CA HIS A 98 102.864 -2.795 -3.514 1.00 0.00 C ATOM 1499 C HIS A 98 103.164 -4.286 -3.395 1.00 0.00 C ATOM 1500 O HIS A 98 103.833 -4.869 -4.248 1.00 0.00 O ATOM 1501 CB HIS A 98 101.905 -2.556 -4.681 1.00 0.00 C ATOM 1502 CG HIS A 98 101.363 -1.156 -4.603 1.00 0.00 C ATOM 1503 ND1 HIS A 98 100.495 -0.758 -3.598 1.00 0.00 N ATOM 1504 CD2 HIS A 98 101.556 -0.049 -5.392 1.00 0.00 C ATOM 1505 CE1 HIS A 98 100.202 0.537 -3.805 1.00 0.00 C ATOM 1506 NE2 HIS A 98 100.822 1.020 -4.886 1.00 0.00 N ATOM 0 H HIS A 98 104.334 -1.858 -4.690 1.00 0.00 H new ATOM 0 HA HIS A 98 102.402 -2.463 -2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 98 102.423 -2.705 -5.628 1.00 0.00 H new ATOM 0 HB3 HIS A 98 101.088 -3.277 -4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 98 102.182 -0.013 -6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 98 99.545 1.117 -3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 98 100.769 1.968 -5.260 1.00 0.00 H new ATOM 1514 N HIS A 99 102.657 -4.896 -2.324 1.00 0.00 N ATOM 1515 CA HIS A 99 102.858 -6.325 -2.074 1.00 0.00 C ATOM 1516 C HIS A 99 101.540 -6.973 -1.662 1.00 0.00 C ATOM 1517 O HIS A 99 101.018 -6.699 -0.582 1.00 0.00 O ATOM 1518 CB HIS A 99 103.889 -6.509 -0.959 1.00 0.00 C ATOM 1519 CG HIS A 99 104.268 -7.960 -0.843 1.00 0.00 C ATOM 1520 ND1 HIS A 99 103.480 -8.876 -0.165 1.00 0.00 N ATOM 1521 CD2 HIS A 99 105.355 -8.665 -1.298 1.00 0.00 C ATOM 1522 CE1 HIS A 99 104.098 -10.068 -0.228 1.00 0.00 C ATOM 1523 NE2 HIS A 99 105.246 -9.996 -0.907 1.00 0.00 N ATOM 0 H HIS A 99 102.102 -4.421 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 99 103.219 -6.799 -2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 99 104.775 -5.909 -1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 99 103.481 -6.155 -0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 99 106.170 -8.250 -1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 99 103.713 -10.974 0.216 1.00 0.00 H new ATOM 0 HE2 HIS A 99 105.902 -10.754 -1.098 1.00 0.00 H new ATOM 1531 N HIS A 100 101.005 -7.837 -2.526 1.00 0.00 N ATOM 1532 CA HIS A 100 99.740 -8.527 -2.246 1.00 0.00 C ATOM 1533 C HIS A 100 99.942 -10.038 -2.262 1.00 0.00 C ATOM 1534 O HIS A 100 100.726 -10.562 -3.055 1.00 0.00 O ATOM 1535 CB HIS A 100 98.694 -8.142 -3.292 1.00 0.00 C ATOM 1536 CG HIS A 100 98.394 -6.671 -3.188 1.00 0.00 C ATOM 1537 ND1 HIS A 100 97.639 -6.144 -2.153 1.00 0.00 N ATOM 1538 CD2 HIS A 100 98.739 -5.605 -3.983 1.00 0.00 C ATOM 1539 CE1 HIS A 100 97.554 -4.815 -2.350 1.00 0.00 C ATOM 1540 NE2 HIS A 100 98.206 -4.434 -3.451 1.00 0.00 N ATOM 0 H HIS A 100 101.425 -8.077 -3.424 1.00 0.00 H new ATOM 0 HA HIS A 100 99.394 -8.226 -1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 100 99.060 -8.379 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 100 97.783 -8.721 -3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 100 99.333 -5.666 -4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 100 97.023 -4.139 -1.697 1.00 0.00 H new ATOM 0 HE2 HIS A 100 98.295 -3.488 -3.823 1.00 0.00 H new ATOM 1548 N HIS A 101 99.234 -10.733 -1.379 1.00 0.00 N ATOM 1549 CA HIS A 101 99.348 -12.182 -1.297 1.00 0.00 C ATOM 1550 C HIS A 101 98.734 -12.844 -2.524 1.00 0.00 C ATOM 1551 O HIS A 101 98.118 -12.182 -3.358 1.00 0.00 O ATOM 1552 CB HIS A 101 98.648 -12.695 -0.037 1.00 0.00 C ATOM 1553 CG HIS A 101 99.302 -12.097 1.176 1.00 0.00 C ATOM 1554 ND1 HIS A 101 100.674 -12.133 1.370 1.00 0.00 N ATOM 1555 CD2 HIS A 101 98.785 -11.451 2.272 1.00 0.00 C ATOM 1556 CE1 HIS A 101 100.933 -11.526 2.543 1.00 0.00 C ATOM 1557 NE2 HIS A 101 99.817 -11.091 3.133 1.00 0.00 N ATOM 0 H HIS A 101 98.580 -10.319 -0.715 1.00 0.00 H new ATOM 0 HA HIS A 101 100.407 -12.436 -1.254 1.00 0.00 H new ATOM 0 HB2 HIS A 101 97.591 -12.430 -0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 101 98.703 -13.783 0.006 1.00 0.00 H new ATOM 0 HD2 HIS A 101 97.737 -11.253 2.440 1.00 0.00 H new ATOM 0 HE1 HIS A 101 101.923 -11.405 2.957 1.00 0.00 H new ATOM 0 HE2 HIS A 101 99.738 -10.600 4.024 1.00 0.00 H new ATOM 1565 N HIS A 102 98.904 -14.158 -2.621 1.00 0.00 N ATOM 1566 CA HIS A 102 98.363 -14.916 -3.741 1.00 0.00 C ATOM 1567 C HIS A 102 96.895 -15.254 -3.498 1.00 0.00 C ATOM 1568 O HIS A 102 96.604 -15.810 -2.451 1.00 0.00 O ATOM 1569 CB HIS A 102 99.158 -16.208 -3.924 1.00 0.00 C ATOM 1570 CG HIS A 102 99.212 -16.953 -2.618 1.00 0.00 C ATOM 1571 ND1 HIS A 102 100.209 -16.733 -1.681 1.00 0.00 N ATOM 1572 CD2 HIS A 102 98.401 -17.922 -2.081 1.00 0.00 C ATOM 1573 CE1 HIS A 102 99.975 -17.552 -0.639 1.00 0.00 C ATOM 1574 NE2 HIS A 102 98.884 -18.299 -0.832 1.00 0.00 N ATOM 1575 OXT HIS A 102 96.086 -14.954 -4.358 1.00 0.00 O ATOM 0 H HIS A 102 99.412 -14.719 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 102 98.441 -14.307 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 102 98.693 -16.828 -4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 102 100.167 -15.981 -4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 102 97.521 -18.330 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 102 100.593 -17.600 0.245 1.00 0.00 H new ATOM 0 HE2 HIS A 102 98.490 -18.996 -0.200 1.00 0.00 H new TER 1583 HIS A 102