USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=18 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 38 THR OG1 : rot -170:sc= -0.185 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.253 K(o=0.068,f=-1.5) USER MOD Set 2.1: A 36 SER OG : rot 180:sc= -0.183 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -178:sc= 0.457 (180deg=0.455) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.00155 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc=0.000239 USER MOD Single : A 2 ASN : amide:sc= -0.686 K(o=-0.69,f=-6.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 14 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.015) USER MOD Single : A 16 HIS : no HD1:sc= 0.516 K(o=0.52,f=-5.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00294 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.61) USER MOD Single : A 26 GLN : amide:sc= -3.87! K(o=-3.9!,f=-0.69) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ -98:sc=0.000397 (180deg=-0.776!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= -0.0415 (180deg=-0.101) USER MOD Single : A 56 HIS : no HE2:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00566) USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0.387 (180deg=0.385) USER MOD Single : A 70 ASN : amide:sc= -1.68! C(o=-1.7!,f=-8!) USER MOD Single : A 75 MET CE :methyl -144:sc= -0.707 (180deg=-2.96!) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= -0.0181 (180deg=-0.147) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 1.35 (180deg=1.26) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.107) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.954 19.591 -2.803 1.00 0.00 N ATOM 2 CA SER A 1 -0.531 18.438 -1.985 1.00 0.00 C ATOM 3 C SER A 1 -1.460 18.264 -0.785 1.00 0.00 C ATOM 4 O SER A 1 -1.231 18.836 0.282 1.00 0.00 O ATOM 5 CB SER A 1 0.911 18.643 -1.514 1.00 0.00 C ATOM 6 OG SER A 1 1.796 18.752 -2.620 1.00 0.00 O ATOM 0 H1 SER A 1 -0.123 20.012 -3.266 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.630 19.274 -3.527 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.408 20.301 -2.194 1.00 0.00 H new ATOM 0 HA SER A 1 -0.584 17.535 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.974 19.544 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.213 17.808 -0.882 1.00 0.00 H new ATOM 0 HG SER A 1 2.711 18.884 -2.295 1.00 0.00 H new ATOM 11 N ASN A 2 -2.514 17.481 -0.973 1.00 0.00 N ATOM 12 CA ASN A 2 -3.481 17.223 0.089 1.00 0.00 C ATOM 13 C ASN A 2 -3.318 15.801 0.605 1.00 0.00 C ATOM 14 O ASN A 2 -3.217 14.853 -0.177 1.00 0.00 O ATOM 15 CB ASN A 2 -4.911 17.436 -0.436 1.00 0.00 C ATOM 16 CG ASN A 2 -5.991 17.336 0.638 1.00 0.00 C ATOM 17 OD1 ASN A 2 -5.865 16.611 1.621 1.00 0.00 O ATOM 18 ND2 ASN A 2 -7.072 18.068 0.449 1.00 0.00 N ATOM 0 H ASN A 2 -2.723 17.011 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.301 17.919 0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.971 18.417 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.115 16.698 -1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.832 18.041 1.129 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.148 18.661 -0.377 1.00 0.00 H new ATOM 25 N THR A 3 -3.281 15.655 1.917 1.00 0.00 N ATOM 26 CA THR A 3 -3.205 14.343 2.521 1.00 0.00 C ATOM 27 C THR A 3 -4.598 13.724 2.593 1.00 0.00 C ATOM 28 O THR A 3 -5.394 14.035 3.483 1.00 0.00 O ATOM 29 CB THR A 3 -2.595 14.397 3.928 1.00 0.00 C ATOM 30 OG1 THR A 3 -1.337 15.088 3.896 1.00 0.00 O ATOM 31 CG2 THR A 3 -2.385 12.992 4.456 1.00 0.00 C ATOM 0 H THR A 3 -3.302 16.429 2.581 1.00 0.00 H new ATOM 0 HA THR A 3 -2.556 13.729 1.896 1.00 0.00 H new ATOM 0 HB THR A 3 -3.281 14.932 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.957 15.118 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.952 13.040 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.342 12.473 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.710 12.451 3.793 1.00 0.00 H new ATOM 39 N ARG A 4 -4.885 12.871 1.627 1.00 0.00 N ATOM 40 CA ARG A 4 -6.208 12.278 1.538 1.00 0.00 C ATOM 41 C ARG A 4 -6.353 11.066 2.435 1.00 0.00 C ATOM 42 O ARG A 4 -5.412 10.311 2.667 1.00 0.00 O ATOM 43 CB ARG A 4 -6.475 11.862 0.099 1.00 0.00 C ATOM 44 CG ARG A 4 -6.247 12.976 -0.900 1.00 0.00 C ATOM 45 CD ARG A 4 -6.036 12.418 -2.292 1.00 0.00 C ATOM 46 NE ARG A 4 -7.182 11.630 -2.752 1.00 0.00 N ATOM 47 CZ ARG A 4 -7.573 11.565 -4.025 1.00 0.00 C ATOM 48 NH1 ARG A 4 -6.912 12.241 -4.958 1.00 0.00 N ATOM 49 NH2 ARG A 4 -8.633 10.838 -4.366 1.00 0.00 N ATOM 0 H ARG A 4 -4.231 12.576 0.902 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.928 13.027 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.831 11.020 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.504 11.513 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.103 13.651 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.378 13.564 -0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.859 13.238 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.142 11.795 -2.300 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.711 11.101 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.105 12.810 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.211 12.191 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.152 10.326 -3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.927 10.792 -5.341 1.00 0.00 H new ATOM 63 N ASN A 5 -7.558 10.937 2.961 1.00 0.00 N ATOM 64 CA ASN A 5 -7.895 9.905 3.911 1.00 0.00 C ATOM 65 C ASN A 5 -8.532 8.727 3.200 1.00 0.00 C ATOM 66 O ASN A 5 -9.396 8.904 2.341 1.00 0.00 O ATOM 67 CB ASN A 5 -8.875 10.448 4.949 1.00 0.00 C ATOM 68 CG ASN A 5 -8.336 11.620 5.741 1.00 0.00 C ATOM 69 OD1 ASN A 5 -7.724 11.448 6.796 1.00 0.00 O ATOM 70 ND2 ASN A 5 -8.574 12.821 5.247 1.00 0.00 N ATOM 0 H ASN A 5 -8.336 11.556 2.734 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.980 9.580 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.792 10.753 4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.141 9.647 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.247 13.650 5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.085 12.920 4.370 1.00 0.00 H new ATOM 77 N PHE A 6 -8.101 7.535 3.551 1.00 0.00 N ATOM 78 CA PHE A 6 -8.652 6.323 2.984 1.00 0.00 C ATOM 79 C PHE A 6 -9.020 5.330 4.074 1.00 0.00 C ATOM 80 O PHE A 6 -8.387 5.252 5.107 1.00 0.00 O ATOM 81 CB PHE A 6 -7.648 5.676 2.038 1.00 0.00 C ATOM 82 CG PHE A 6 -7.468 6.398 0.740 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.617 7.493 0.640 1.00 0.00 C ATOM 84 CD2 PHE A 6 -8.140 5.966 -0.391 1.00 0.00 C ATOM 85 CE1 PHE A 6 -6.440 8.137 -0.565 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.972 6.606 -1.600 1.00 0.00 C ATOM 87 CZ PHE A 6 -7.118 7.694 -1.691 1.00 0.00 C ATOM 0 H PHE A 6 -7.361 7.379 4.235 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.552 6.594 2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.683 5.611 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.968 4.655 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.090 7.842 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.804 5.117 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.775 8.985 -0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.504 6.261 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.981 8.196 -2.637 1.00 0.00 H new ATOM 97 N VAL A 7 -10.060 4.592 3.820 1.00 0.00 N ATOM 98 CA VAL A 7 -10.473 3.552 4.750 1.00 0.00 C ATOM 99 C VAL A 7 -9.905 2.216 4.312 1.00 0.00 C ATOM 100 O VAL A 7 -9.712 1.978 3.129 1.00 0.00 O ATOM 101 CB VAL A 7 -12.003 3.471 4.898 1.00 0.00 C ATOM 102 CG1 VAL A 7 -12.381 2.606 6.091 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.593 4.864 5.043 1.00 0.00 C ATOM 0 H VAL A 7 -10.642 4.680 2.987 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.077 3.810 5.732 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.413 3.011 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.467 2.561 6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.987 1.600 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.961 3.036 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.676 4.792 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.175 5.346 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.352 5.455 4.159 1.00 0.00 H new ATOM 113 N LEU A 8 -9.624 1.340 5.261 1.00 0.00 N ATOM 114 CA LEU A 8 -8.993 0.071 4.955 1.00 0.00 C ATOM 115 C LEU A 8 -9.972 -1.053 5.249 1.00 0.00 C ATOM 116 O LEU A 8 -10.806 -0.923 6.140 1.00 0.00 O ATOM 117 CB LEU A 8 -7.749 -0.119 5.822 1.00 0.00 C ATOM 118 CG LEU A 8 -6.898 -1.339 5.486 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.950 -1.015 4.351 1.00 0.00 C ATOM 120 CD2 LEU A 8 -6.128 -1.812 6.708 1.00 0.00 C ATOM 0 H LEU A 8 -9.824 1.486 6.251 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.706 0.059 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.127 0.772 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.061 -0.190 6.864 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.558 -2.147 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.347 -1.893 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.523 -0.725 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.297 -0.194 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.528 -2.683 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.474 -1.013 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.829 -2.080 7.499 1.00 0.00 H new ATOM 132 N ARG A 9 -9.905 -2.133 4.497 1.00 0.00 N ATOM 133 CA ARG A 9 -10.661 -3.331 4.830 1.00 0.00 C ATOM 134 C ARG A 9 -9.876 -4.561 4.405 1.00 0.00 C ATOM 135 O ARG A 9 -8.929 -4.447 3.632 1.00 0.00 O ATOM 136 CB ARG A 9 -12.054 -3.324 4.189 1.00 0.00 C ATOM 137 CG ARG A 9 -12.049 -3.166 2.680 1.00 0.00 C ATOM 138 CD ARG A 9 -13.456 -3.247 2.113 1.00 0.00 C ATOM 139 NE ARG A 9 -14.013 -4.600 2.189 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.289 -4.864 2.474 1.00 0.00 C ATOM 141 NH1 ARG A 9 -16.090 -3.897 2.907 1.00 0.00 N ATOM 142 NH2 ARG A 9 -15.746 -6.106 2.363 1.00 0.00 N ATOM 0 H ARG A 9 -9.338 -2.209 3.653 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.810 -3.353 5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.562 -4.254 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.637 -2.513 4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.602 -2.208 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.429 -3.943 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.104 -2.560 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.445 -2.920 1.073 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.388 -5.387 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.730 -2.950 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.065 -4.102 3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.122 -6.854 2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.721 -6.312 2.580 1.00 0.00 H new ATOM 156 N ASP A 10 -10.233 -5.722 4.928 1.00 0.00 N ATOM 157 CA ASP A 10 -9.659 -6.980 4.452 1.00 0.00 C ATOM 158 C ASP A 10 -10.428 -7.477 3.233 1.00 0.00 C ATOM 159 O ASP A 10 -11.183 -6.716 2.619 1.00 0.00 O ATOM 160 CB ASP A 10 -9.702 -8.041 5.558 1.00 0.00 C ATOM 161 CG ASP A 10 -8.579 -7.899 6.560 1.00 0.00 C ATOM 162 OD1 ASP A 10 -7.500 -8.489 6.335 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.770 -7.215 7.583 1.00 0.00 O ATOM 0 H ASP A 10 -10.915 -5.825 5.680 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.620 -6.803 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.657 -7.975 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.654 -9.031 5.105 1.00 0.00 H new ATOM 168 N GLU A 11 -10.304 -8.764 2.925 1.00 0.00 N ATOM 169 CA GLU A 11 -11.029 -9.356 1.803 1.00 0.00 C ATOM 170 C GLU A 11 -12.361 -9.891 2.323 1.00 0.00 C ATOM 171 O GLU A 11 -13.182 -10.429 1.584 1.00 0.00 O ATOM 172 CB GLU A 11 -10.213 -10.481 1.160 1.00 0.00 C ATOM 173 CG GLU A 11 -9.052 -9.987 0.309 1.00 0.00 C ATOM 174 CD GLU A 11 -9.515 -9.252 -0.937 1.00 0.00 C ATOM 175 OE1 GLU A 11 -10.098 -8.164 -0.801 1.00 0.00 O ATOM 176 OE2 GLU A 11 -9.320 -9.772 -2.059 1.00 0.00 O ATOM 0 H GLU A 11 -9.709 -9.417 3.435 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.203 -8.600 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.826 -11.131 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.873 -11.088 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.425 -9.325 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.433 -10.835 0.017 1.00 0.00 H new ATOM 183 N ASP A 12 -12.554 -9.695 3.617 1.00 0.00 N ATOM 184 CA ASP A 12 -13.632 -10.338 4.354 1.00 0.00 C ATOM 185 C ASP A 12 -14.683 -9.333 4.808 1.00 0.00 C ATOM 186 O ASP A 12 -15.806 -9.706 5.147 1.00 0.00 O ATOM 187 CB ASP A 12 -13.058 -11.075 5.563 1.00 0.00 C ATOM 188 CG ASP A 12 -14.127 -11.759 6.390 1.00 0.00 C ATOM 189 OD1 ASP A 12 -14.768 -12.701 5.881 1.00 0.00 O ATOM 190 OD2 ASP A 12 -14.330 -11.352 7.551 1.00 0.00 O ATOM 0 H ASP A 12 -11.968 -9.085 4.187 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.121 -11.047 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.337 -11.818 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.515 -10.368 6.191 1.00 0.00 H new ATOM 195 N GLY A 13 -14.341 -8.052 4.791 1.00 0.00 N ATOM 196 CA GLY A 13 -15.271 -7.060 5.287 1.00 0.00 C ATOM 197 C GLY A 13 -14.878 -6.538 6.648 1.00 0.00 C ATOM 198 O GLY A 13 -15.730 -6.251 7.485 1.00 0.00 O ATOM 0 H GLY A 13 -13.452 -7.687 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.323 -6.230 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.269 -7.495 5.341 1.00 0.00 H new ATOM 202 N ASN A 14 -13.580 -6.421 6.868 1.00 0.00 N ATOM 203 CA ASN A 14 -13.060 -5.984 8.153 1.00 0.00 C ATOM 204 C ASN A 14 -12.528 -4.577 7.992 1.00 0.00 C ATOM 205 O ASN A 14 -11.449 -4.377 7.438 1.00 0.00 O ATOM 206 CB ASN A 14 -11.939 -6.901 8.647 1.00 0.00 C ATOM 207 CG ASN A 14 -12.411 -8.304 8.984 1.00 0.00 C ATOM 208 OD1 ASN A 14 -11.706 -9.279 8.727 1.00 0.00 O ATOM 209 ND2 ASN A 14 -13.579 -8.416 9.598 1.00 0.00 N ATOM 0 H ASN A 14 -12.864 -6.623 6.171 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.862 -6.017 8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.165 -6.960 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.480 -6.458 9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.923 -9.335 9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.134 -7.583 9.793 1.00 0.00 H new ATOM 216 N GLU A 15 -13.299 -3.609 8.437 1.00 0.00 N ATOM 217 CA GLU A 15 -12.970 -2.213 8.218 1.00 0.00 C ATOM 218 C GLU A 15 -11.959 -1.726 9.248 1.00 0.00 C ATOM 219 O GLU A 15 -12.202 -1.784 10.453 1.00 0.00 O ATOM 220 CB GLU A 15 -14.238 -1.377 8.266 1.00 0.00 C ATOM 221 CG GLU A 15 -15.262 -1.798 7.227 1.00 0.00 C ATOM 222 CD GLU A 15 -16.594 -1.111 7.414 1.00 0.00 C ATOM 223 OE1 GLU A 15 -16.914 -0.734 8.561 1.00 0.00 O ATOM 224 OE2 GLU A 15 -17.335 -0.967 6.420 1.00 0.00 O ATOM 0 H GLU A 15 -14.164 -3.762 8.956 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.514 -2.107 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.682 -1.455 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.982 -0.329 8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.878 -1.574 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.404 -2.878 7.278 1.00 0.00 H new ATOM 231 N HIS A 16 -10.833 -1.233 8.758 1.00 0.00 N ATOM 232 CA HIS A 16 -9.719 -0.854 9.605 1.00 0.00 C ATOM 233 C HIS A 16 -9.525 0.656 9.645 1.00 0.00 C ATOM 234 O HIS A 16 -10.391 1.423 9.222 1.00 0.00 O ATOM 235 CB HIS A 16 -8.435 -1.512 9.118 1.00 0.00 C ATOM 236 CG HIS A 16 -8.382 -2.988 9.341 1.00 0.00 C ATOM 237 ND1 HIS A 16 -8.018 -3.560 10.540 1.00 0.00 N ATOM 238 CD2 HIS A 16 -8.642 -4.012 8.500 1.00 0.00 C ATOM 239 CE1 HIS A 16 -8.054 -4.876 10.423 1.00 0.00 C ATOM 240 NE2 HIS A 16 -8.432 -5.172 9.195 1.00 0.00 N ATOM 0 H HIS A 16 -10.668 -1.085 7.762 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.951 -1.196 10.613 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.319 -1.312 8.053 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.588 -1.049 9.624 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.957 -3.931 7.470 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.815 -5.587 11.200 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.549 -6.114 8.823 1.00 0.00 H new ATOM 249 N GLY A 17 -8.375 1.047 10.174 1.00 0.00 N ATOM 250 CA GLY A 17 -7.996 2.443 10.303 1.00 0.00 C ATOM 251 C GLY A 17 -8.094 3.250 9.026 1.00 0.00 C ATOM 252 O GLY A 17 -8.215 2.702 7.927 1.00 0.00 O ATOM 0 H GLY A 17 -7.674 0.397 10.528 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.629 2.908 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.971 2.494 10.670 1.00 0.00 H new ATOM 256 N VAL A 18 -8.029 4.568 9.176 1.00 0.00 N ATOM 257 CA VAL A 18 -8.062 5.461 8.035 1.00 0.00 C ATOM 258 C VAL A 18 -6.641 5.831 7.614 1.00 0.00 C ATOM 259 O VAL A 18 -5.916 6.525 8.332 1.00 0.00 O ATOM 260 CB VAL A 18 -8.862 6.744 8.350 1.00 0.00 C ATOM 261 CG1 VAL A 18 -8.867 7.692 7.163 1.00 0.00 C ATOM 262 CG2 VAL A 18 -10.282 6.391 8.761 1.00 0.00 C ATOM 0 H VAL A 18 -7.953 5.037 10.079 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.559 4.939 7.217 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.374 7.254 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.438 8.586 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.843 7.972 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.324 7.199 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.835 7.304 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.773 5.855 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.257 5.760 9.649 1.00 0.00 H new ATOM 272 N PHE A 19 -6.259 5.326 6.460 1.00 0.00 N ATOM 273 CA PHE A 19 -4.941 5.552 5.906 1.00 0.00 C ATOM 274 C PHE A 19 -4.871 6.829 5.099 1.00 0.00 C ATOM 275 O PHE A 19 -5.576 7.028 4.120 1.00 0.00 O ATOM 276 CB PHE A 19 -4.492 4.359 5.072 1.00 0.00 C ATOM 277 CG PHE A 19 -4.308 3.128 5.907 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.397 2.528 6.506 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.050 2.598 6.126 1.00 0.00 C ATOM 280 CE1 PHE A 19 -5.249 1.421 7.303 1.00 0.00 C ATOM 281 CE2 PHE A 19 -2.887 1.489 6.927 1.00 0.00 C ATOM 282 CZ PHE A 19 -3.988 0.895 7.518 1.00 0.00 C ATOM 0 H PHE A 19 -6.859 4.743 5.876 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.256 5.666 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.230 4.162 4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.555 4.600 4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.383 2.937 6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.188 3.057 5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.113 0.962 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.900 1.083 7.094 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.863 0.024 8.145 1.00 0.00 H new ATOM 292 N THR A 20 -4.002 7.676 5.562 1.00 0.00 N ATOM 293 CA THR A 20 -3.723 8.928 4.892 1.00 0.00 C ATOM 294 C THR A 20 -2.656 8.710 3.847 1.00 0.00 C ATOM 295 O THR A 20 -1.711 7.951 4.067 1.00 0.00 O ATOM 296 CB THR A 20 -3.286 10.033 5.868 1.00 0.00 C ATOM 297 OG1 THR A 20 -2.258 9.545 6.744 1.00 0.00 O ATOM 298 CG2 THR A 20 -4.468 10.535 6.677 1.00 0.00 C ATOM 0 H THR A 20 -3.462 7.527 6.414 1.00 0.00 H new ATOM 0 HA THR A 20 -4.647 9.265 4.423 1.00 0.00 H new ATOM 0 HB THR A 20 -2.889 10.865 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.987 10.258 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.136 11.316 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.224 10.939 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.895 9.710 7.248 1.00 0.00 H new ATOM 306 N GLY A 21 -2.788 9.377 2.719 1.00 0.00 N ATOM 307 CA GLY A 21 -1.930 9.119 1.591 1.00 0.00 C ATOM 308 C GLY A 21 -2.283 10.085 0.481 1.00 0.00 C ATOM 309 O GLY A 21 -3.461 10.364 0.270 1.00 0.00 O ATOM 0 H GLY A 21 -3.486 10.104 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.885 9.237 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.053 8.091 1.250 1.00 0.00 H new ATOM 313 N LYS A 22 -1.287 10.622 -0.214 1.00 0.00 N ATOM 314 CA LYS A 22 -1.546 11.640 -1.236 1.00 0.00 C ATOM 315 C LYS A 22 -2.385 11.058 -2.373 1.00 0.00 C ATOM 316 O LYS A 22 -3.017 11.787 -3.136 1.00 0.00 O ATOM 317 CB LYS A 22 -0.223 12.243 -1.745 1.00 0.00 C ATOM 318 CG LYS A 22 0.554 11.376 -2.726 1.00 0.00 C ATOM 319 CD LYS A 22 0.104 11.616 -4.160 1.00 0.00 C ATOM 320 CE LYS A 22 0.358 13.050 -4.602 1.00 0.00 C ATOM 321 NZ LYS A 22 -0.134 13.297 -5.983 1.00 0.00 N ATOM 0 H LYS A 22 -0.304 10.377 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.122 12.450 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.439 13.199 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.415 12.453 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.619 11.589 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.417 10.325 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.631 10.932 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.959 11.391 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.135 13.736 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.426 13.262 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.057 14.284 -6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.354 12.660 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.158 13.119 -6.024 1.00 0.00 H new ATOM 335 N GLN A 23 -2.374 9.736 -2.474 1.00 0.00 N ATOM 336 CA GLN A 23 -3.200 9.013 -3.427 1.00 0.00 C ATOM 337 C GLN A 23 -3.305 7.565 -2.976 1.00 0.00 C ATOM 338 O GLN A 23 -2.537 7.152 -2.111 1.00 0.00 O ATOM 339 CB GLN A 23 -2.609 9.103 -4.836 1.00 0.00 C ATOM 340 CG GLN A 23 -1.198 8.540 -4.951 1.00 0.00 C ATOM 341 CD GLN A 23 -0.632 8.646 -6.355 1.00 0.00 C ATOM 342 OE1 GLN A 23 -0.992 9.543 -7.117 1.00 0.00 O ATOM 343 NE2 GLN A 23 0.272 7.742 -6.701 1.00 0.00 N ATOM 0 H GLN A 23 -1.789 9.134 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.194 9.458 -3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.260 8.568 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.600 10.147 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.543 9.071 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.204 7.494 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.544 7.014 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.696 7.774 -7.628 1.00 0.00 H new ATOM 352 N PRO A 24 -4.251 6.781 -3.532 1.00 0.00 N ATOM 353 CA PRO A 24 -4.438 5.375 -3.165 1.00 0.00 C ATOM 354 C PRO A 24 -3.121 4.609 -3.048 1.00 0.00 C ATOM 355 O PRO A 24 -2.881 3.955 -2.049 1.00 0.00 O ATOM 356 CB PRO A 24 -5.285 4.817 -4.305 1.00 0.00 C ATOM 357 CG PRO A 24 -6.065 5.984 -4.807 1.00 0.00 C ATOM 358 CD PRO A 24 -5.236 7.217 -4.540 1.00 0.00 C ATOM 0 HA PRO A 24 -4.901 5.276 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.660 4.392 -5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.944 4.022 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.271 5.881 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.028 6.050 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.747 7.572 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.850 8.037 -4.168 1.00 0.00 H new ATOM 366 N ARG A 25 -2.284 4.687 -4.080 1.00 0.00 N ATOM 367 CA ARG A 25 -0.961 4.058 -4.058 1.00 0.00 C ATOM 368 C ARG A 25 -0.160 4.429 -2.804 1.00 0.00 C ATOM 369 O ARG A 25 0.488 3.578 -2.200 1.00 0.00 O ATOM 370 CB ARG A 25 -0.173 4.437 -5.314 1.00 0.00 C ATOM 371 CG ARG A 25 1.237 3.869 -5.341 1.00 0.00 C ATOM 372 CD ARG A 25 1.951 4.208 -6.638 1.00 0.00 C ATOM 373 NE ARG A 25 3.357 3.812 -6.612 1.00 0.00 N ATOM 374 CZ ARG A 25 4.026 3.371 -7.677 1.00 0.00 C ATOM 375 NH1 ARG A 25 3.405 3.188 -8.838 1.00 0.00 N ATOM 376 NH2 ARG A 25 5.324 3.114 -7.572 1.00 0.00 N ATOM 0 H ARG A 25 -2.498 5.181 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.118 2.980 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.714 4.086 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.120 5.523 -5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.805 4.263 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.196 2.787 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.450 3.710 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.880 5.280 -6.821 1.00 0.00 H new ATOM 0 HE ARG A 25 3.857 3.877 -5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.408 3.385 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.926 2.850 -9.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.801 3.254 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.844 2.776 -8.382 1.00 0.00 H new ATOM 390 N GLN A 26 -0.212 5.694 -2.408 1.00 0.00 N ATOM 391 CA GLN A 26 0.529 6.148 -1.241 1.00 0.00 C ATOM 392 C GLN A 26 -0.180 5.755 0.052 1.00 0.00 C ATOM 393 O GLN A 26 0.464 5.480 1.061 1.00 0.00 O ATOM 394 CB GLN A 26 0.744 7.660 -1.299 1.00 0.00 C ATOM 395 CG GLN A 26 1.694 8.086 -2.405 1.00 0.00 C ATOM 396 CD GLN A 26 3.040 7.390 -2.315 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.694 7.145 -3.325 1.00 0.00 O ATOM 398 NE2 GLN A 26 3.463 7.070 -1.102 1.00 0.00 N ATOM 0 H GLN A 26 -0.756 6.419 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 26 1.502 5.658 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.218 8.152 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.135 8.002 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.241 7.870 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.842 9.165 -2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.890 7.291 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.362 6.603 -0.982 1.00 0.00 H new ATOM 407 N ALA A 27 -1.504 5.741 0.010 1.00 0.00 N ATOM 408 CA ALA A 27 -2.299 5.253 1.127 1.00 0.00 C ATOM 409 C ALA A 27 -2.073 3.757 1.301 1.00 0.00 C ATOM 410 O ALA A 27 -2.040 3.237 2.416 1.00 0.00 O ATOM 411 CB ALA A 27 -3.774 5.549 0.896 1.00 0.00 C ATOM 0 H ALA A 27 -2.052 6.063 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.989 5.765 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.356 5.178 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.919 6.625 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.105 5.056 -0.018 1.00 0.00 H new ATOM 417 N ALA A 28 -1.894 3.085 0.174 1.00 0.00 N ATOM 418 CA ALA A 28 -1.603 1.666 0.145 1.00 0.00 C ATOM 419 C ALA A 28 -0.201 1.406 0.675 1.00 0.00 C ATOM 420 O ALA A 28 0.055 0.377 1.289 1.00 0.00 O ATOM 421 CB ALA A 28 -1.751 1.127 -1.269 1.00 0.00 C ATOM 0 H ALA A 28 -1.948 3.514 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.315 1.147 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.529 0.060 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.772 1.288 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.058 1.646 -1.931 1.00 0.00 H new ATOM 427 N LEU A 29 0.705 2.348 0.435 1.00 0.00 N ATOM 428 CA LEU A 29 2.042 2.278 1.006 1.00 0.00 C ATOM 429 C LEU A 29 1.923 2.165 2.520 1.00 0.00 C ATOM 430 O LEU A 29 2.400 1.209 3.132 1.00 0.00 O ATOM 431 CB LEU A 29 2.847 3.534 0.656 1.00 0.00 C ATOM 432 CG LEU A 29 4.293 3.290 0.240 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.348 2.929 -1.230 1.00 0.00 C ATOM 434 CD2 LEU A 29 5.145 4.514 0.531 1.00 0.00 C ATOM 0 H LEU A 29 0.537 3.167 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 29 2.558 1.409 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.338 4.057 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.843 4.200 1.519 1.00 0.00 H new ATOM 0 HG LEU A 29 4.695 2.458 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.383 2.755 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.765 2.025 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.936 3.747 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.174 4.321 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.757 5.368 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.116 4.732 1.599 1.00 0.00 H new ATOM 446 N LYS A 30 1.290 3.176 3.104 1.00 0.00 N ATOM 447 CA LYS A 30 0.947 3.187 4.526 1.00 0.00 C ATOM 448 C LYS A 30 0.220 1.919 4.979 1.00 0.00 C ATOM 449 O LYS A 30 0.270 1.573 6.155 1.00 0.00 O ATOM 450 CB LYS A 30 0.074 4.397 4.854 1.00 0.00 C ATOM 451 CG LYS A 30 0.710 5.734 4.496 1.00 0.00 C ATOM 452 CD LYS A 30 2.035 5.949 5.214 1.00 0.00 C ATOM 453 CE LYS A 30 1.866 5.908 6.722 1.00 0.00 C ATOM 454 NZ LYS A 30 3.143 6.174 7.435 1.00 0.00 N ATOM 0 H LYS A 30 0.998 4.016 2.604 1.00 0.00 H new ATOM 0 HA LYS A 30 1.894 3.238 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.874 4.303 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.155 4.389 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.870 5.782 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.024 6.541 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.745 5.182 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.457 6.910 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.123 6.646 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.483 4.931 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.982 6.136 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.846 5.455 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.496 7.117 7.174 1.00 0.00 H new ATOM 468 N ALA A 31 -0.447 1.216 4.073 1.00 0.00 N ATOM 469 CA ALA A 31 -1.186 0.021 4.452 1.00 0.00 C ATOM 470 C ALA A 31 -0.295 -1.207 4.339 1.00 0.00 C ATOM 471 O ALA A 31 -0.510 -2.212 5.016 1.00 0.00 O ATOM 472 CB ALA A 31 -2.422 -0.141 3.579 1.00 0.00 C ATOM 0 H ALA A 31 -0.491 1.450 3.081 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.507 0.126 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.962 -1.040 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.069 0.728 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.121 -0.227 2.535 1.00 0.00 H new ATOM 478 N ALA A 32 0.711 -1.105 3.486 1.00 0.00 N ATOM 479 CA ALA A 32 1.641 -2.195 3.242 1.00 0.00 C ATOM 480 C ALA A 32 2.809 -2.150 4.210 1.00 0.00 C ATOM 481 O ALA A 32 3.525 -3.133 4.379 1.00 0.00 O ATOM 482 CB ALA A 32 2.161 -2.126 1.817 1.00 0.00 C ATOM 0 H ALA A 32 0.906 -0.264 2.943 1.00 0.00 H new ATOM 0 HA ALA A 32 1.105 -3.132 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.857 -2.947 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.326 -2.205 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.674 -1.177 1.662 1.00 0.00 H new ATOM 488 N ASN A 33 2.989 -1.008 4.861 1.00 0.00 N ATOM 489 CA ASN A 33 4.153 -0.799 5.719 1.00 0.00 C ATOM 490 C ASN A 33 4.166 -1.773 6.896 1.00 0.00 C ATOM 491 O ASN A 33 5.201 -1.974 7.527 1.00 0.00 O ATOM 492 CB ASN A 33 4.207 0.656 6.222 1.00 0.00 C ATOM 493 CG ASN A 33 3.396 0.919 7.487 1.00 0.00 C ATOM 494 OD1 ASN A 33 3.823 1.682 8.356 1.00 0.00 O ATOM 495 ND2 ASN A 33 2.214 0.333 7.590 1.00 0.00 N ATOM 0 H ASN A 33 2.349 -0.215 4.813 1.00 0.00 H new ATOM 0 HA ASN A 33 5.041 -0.992 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.247 0.924 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.847 1.314 5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.628 0.508 8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.889 -0.293 6.853 1.00 0.00 H new ATOM 502 N ARG A 34 3.026 -2.410 7.150 1.00 0.00 N ATOM 503 CA ARG A 34 2.858 -3.272 8.309 1.00 0.00 C ATOM 504 C ARG A 34 3.166 -4.721 7.951 1.00 0.00 C ATOM 505 O ARG A 34 3.604 -5.501 8.793 1.00 0.00 O ATOM 506 CB ARG A 34 1.416 -3.161 8.821 1.00 0.00 C ATOM 507 CG ARG A 34 0.379 -3.411 7.732 1.00 0.00 C ATOM 508 CD ARG A 34 -1.049 -3.263 8.233 1.00 0.00 C ATOM 509 NE ARG A 34 -2.014 -3.352 7.133 1.00 0.00 N ATOM 510 CZ ARG A 34 -3.035 -4.217 7.088 1.00 0.00 C ATOM 511 NH1 ARG A 34 -3.250 -5.056 8.093 1.00 0.00 N ATOM 512 NH2 ARG A 34 -3.843 -4.244 6.033 1.00 0.00 N ATOM 0 H ARG A 34 2.198 -2.342 6.559 1.00 0.00 H new ATOM 0 HA ARG A 34 3.552 -2.954 9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.267 -3.877 9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.261 -2.168 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.545 -2.713 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.516 -4.415 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.260 -4.039 8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.161 -2.305 8.740 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.900 -2.711 6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.635 -5.045 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.030 -5.712 8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.686 -3.604 5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.620 -4.904 6.002 1.00 0.00 H new ATOM 526 N GLY A 35 2.938 -5.065 6.692 1.00 0.00 N ATOM 527 CA GLY A 35 3.094 -6.419 6.243 1.00 0.00 C ATOM 528 C GLY A 35 4.220 -6.541 5.252 1.00 0.00 C ATOM 529 O GLY A 35 4.085 -6.154 4.095 1.00 0.00 O ATOM 0 H GLY A 35 2.643 -4.411 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.287 -7.068 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.166 -6.762 5.786 1.00 0.00 H new ATOM 533 N SER A 36 5.339 -7.048 5.728 1.00 0.00 N ATOM 534 CA SER A 36 6.515 -7.233 4.897 1.00 0.00 C ATOM 535 C SER A 36 6.215 -8.150 3.719 1.00 0.00 C ATOM 536 O SER A 36 6.614 -7.855 2.590 1.00 0.00 O ATOM 537 CB SER A 36 7.654 -7.815 5.734 1.00 0.00 C ATOM 538 OG SER A 36 7.868 -7.046 6.910 1.00 0.00 O ATOM 0 H SER A 36 5.461 -7.343 6.697 1.00 0.00 H new ATOM 0 HA SER A 36 6.813 -6.261 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.421 -8.844 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.568 -7.841 5.141 1.00 0.00 H new ATOM 0 HG SER A 36 8.600 -7.439 7.429 1.00 0.00 H new ATOM 544 N GLY A 37 5.463 -9.221 3.988 1.00 0.00 N ATOM 545 CA GLY A 37 5.270 -10.278 3.001 1.00 0.00 C ATOM 546 C GLY A 37 6.527 -10.533 2.198 1.00 0.00 C ATOM 547 O GLY A 37 7.631 -10.540 2.750 1.00 0.00 O ATOM 0 H GLY A 37 4.983 -9.375 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.969 -11.196 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.458 -10.003 2.328 1.00 0.00 H new ATOM 551 N THR A 38 6.360 -10.752 0.905 1.00 0.00 N ATOM 552 CA THR A 38 7.469 -10.675 -0.031 1.00 0.00 C ATOM 553 C THR A 38 6.960 -10.170 -1.367 1.00 0.00 C ATOM 554 O THR A 38 5.752 -10.073 -1.575 1.00 0.00 O ATOM 555 CB THR A 38 8.191 -12.023 -0.286 1.00 0.00 C ATOM 556 OG1 THR A 38 7.282 -12.960 -0.866 1.00 0.00 O ATOM 557 CG2 THR A 38 8.796 -12.609 0.982 1.00 0.00 C ATOM 0 H THR A 38 5.464 -10.985 0.478 1.00 0.00 H new ATOM 0 HA THR A 38 8.193 -10.001 0.428 1.00 0.00 H new ATOM 0 HB THR A 38 9.012 -11.823 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.693 -13.850 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.289 -13.552 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.525 -11.911 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.008 -12.784 1.714 1.00 0.00 H new ATOM 565 N LYS A 39 7.870 -9.873 -2.272 1.00 0.00 N ATOM 566 CA LYS A 39 7.506 -9.508 -3.633 1.00 0.00 C ATOM 567 C LYS A 39 6.782 -10.662 -4.326 1.00 0.00 C ATOM 568 O LYS A 39 5.937 -10.451 -5.200 1.00 0.00 O ATOM 569 CB LYS A 39 8.765 -9.133 -4.408 1.00 0.00 C ATOM 570 CG LYS A 39 8.609 -9.231 -5.912 1.00 0.00 C ATOM 571 CD LYS A 39 7.973 -7.998 -6.523 1.00 0.00 C ATOM 572 CE LYS A 39 8.973 -6.859 -6.610 1.00 0.00 C ATOM 573 NZ LYS A 39 8.460 -5.724 -7.418 1.00 0.00 N ATOM 0 H LYS A 39 8.874 -9.876 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 39 6.830 -8.654 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.051 -8.114 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.581 -9.783 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.588 -9.390 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.002 -10.104 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.597 -8.234 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.117 -7.690 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.211 -6.509 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.901 -7.225 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.838 -5.787 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.421 -5.762 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.761 -4.827 -6.987 1.00 0.00 H new ATOM 587 N ALA A 40 7.095 -11.875 -3.903 1.00 0.00 N ATOM 588 CA ALA A 40 6.603 -13.068 -4.569 1.00 0.00 C ATOM 589 C ALA A 40 5.235 -13.478 -4.041 1.00 0.00 C ATOM 590 O ALA A 40 4.465 -14.147 -4.728 1.00 0.00 O ATOM 591 CB ALA A 40 7.594 -14.206 -4.397 1.00 0.00 C ATOM 0 H ALA A 40 7.691 -12.060 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 40 6.496 -12.841 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.216 -15.096 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.552 -13.923 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.725 -14.417 -3.336 1.00 0.00 H new ATOM 597 N ASN A 41 4.937 -13.070 -2.820 1.00 0.00 N ATOM 598 CA ASN A 41 3.666 -13.381 -2.189 1.00 0.00 C ATOM 599 C ASN A 41 3.203 -12.210 -1.331 1.00 0.00 C ATOM 600 O ASN A 41 3.101 -12.311 -0.108 1.00 0.00 O ATOM 601 CB ASN A 41 3.752 -14.665 -1.353 1.00 0.00 C ATOM 602 CG ASN A 41 4.980 -14.748 -0.460 1.00 0.00 C ATOM 603 OD1 ASN A 41 5.968 -15.394 -0.811 1.00 0.00 O ATOM 604 ND2 ASN A 41 4.955 -14.069 0.677 1.00 0.00 N ATOM 0 H ASN A 41 5.567 -12.516 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 41 2.932 -13.552 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.859 -14.741 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.747 -15.523 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.770 -14.071 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.121 -13.544 0.939 1.00 0.00 H new ATOM 611 N PRO A 42 2.920 -11.076 -1.974 1.00 0.00 N ATOM 612 CA PRO A 42 2.521 -9.855 -1.279 1.00 0.00 C ATOM 613 C PRO A 42 1.186 -10.001 -0.558 1.00 0.00 C ATOM 614 O PRO A 42 0.308 -10.754 -0.991 1.00 0.00 O ATOM 615 CB PRO A 42 2.396 -8.817 -2.400 1.00 0.00 C ATOM 616 CG PRO A 42 3.084 -9.409 -3.582 1.00 0.00 C ATOM 617 CD PRO A 42 2.963 -10.893 -3.430 1.00 0.00 C ATOM 0 HA PRO A 42 3.241 -9.587 -0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.350 -8.606 -2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.858 -7.873 -2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.623 -9.073 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.130 -9.105 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.063 -11.275 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.809 -11.414 -3.877 1.00 0.00 H new ATOM 625 N ASP A 43 1.036 -9.263 0.531 1.00 0.00 N ATOM 626 CA ASP A 43 -0.220 -9.226 1.259 1.00 0.00 C ATOM 627 C ASP A 43 -1.175 -8.292 0.542 1.00 0.00 C ATOM 628 O ASP A 43 -0.853 -7.131 0.295 1.00 0.00 O ATOM 629 CB ASP A 43 -0.031 -8.749 2.702 1.00 0.00 C ATOM 630 CG ASP A 43 0.611 -9.788 3.604 1.00 0.00 C ATOM 631 OD1 ASP A 43 1.836 -10.009 3.498 1.00 0.00 O ATOM 632 OD2 ASP A 43 -0.107 -10.379 4.440 1.00 0.00 O ATOM 0 H ASP A 43 1.772 -8.680 0.930 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.622 -10.238 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.585 -7.850 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.001 -8.471 3.114 1.00 0.00 H new ATOM 637 N ILE A 44 -2.338 -8.801 0.197 1.00 0.00 N ATOM 638 CA ILE A 44 -3.314 -8.022 -0.545 1.00 0.00 C ATOM 639 C ILE A 44 -3.984 -6.995 0.357 1.00 0.00 C ATOM 640 O ILE A 44 -4.641 -7.353 1.338 1.00 0.00 O ATOM 641 CB ILE A 44 -4.380 -8.938 -1.195 1.00 0.00 C ATOM 642 CG1 ILE A 44 -3.775 -9.663 -2.392 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.608 -8.146 -1.623 1.00 0.00 C ATOM 644 CD1 ILE A 44 -3.376 -8.720 -3.503 1.00 0.00 C ATOM 0 H ILE A 44 -2.634 -9.752 0.417 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.784 -7.496 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.700 -9.669 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.900 -10.226 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.495 -10.386 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.336 -8.820 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.052 -7.664 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.317 -7.387 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.951 -9.290 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.254 -8.176 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.634 -8.013 -3.131 1.00 0.00 H new ATOM 656 N ILE A 45 -3.794 -5.725 0.044 1.00 0.00 N ATOM 657 CA ILE A 45 -4.408 -4.665 0.828 1.00 0.00 C ATOM 658 C ILE A 45 -5.550 -4.013 0.077 1.00 0.00 C ATOM 659 O ILE A 45 -5.485 -3.789 -1.135 1.00 0.00 O ATOM 660 CB ILE A 45 -3.400 -3.578 1.208 1.00 0.00 C ATOM 661 CG1 ILE A 45 -2.762 -3.025 -0.059 1.00 0.00 C ATOM 662 CG2 ILE A 45 -2.358 -4.138 2.157 1.00 0.00 C ATOM 663 CD1 ILE A 45 -1.692 -2.009 0.186 1.00 0.00 C ATOM 0 H ILE A 45 -3.225 -5.404 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.784 -5.140 1.734 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.908 -2.764 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.339 -3.852 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.539 -2.576 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.647 -3.355 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.847 -4.502 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.830 -4.960 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.290 -1.667 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.112 -1.162 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.893 -2.457 0.776 1.00 0.00 H new ATOM 675 N ARG A 46 -6.604 -3.734 0.800 1.00 0.00 N ATOM 676 CA ARG A 46 -7.725 -3.014 0.239 1.00 0.00 C ATOM 677 C ARG A 46 -7.612 -1.521 0.525 1.00 0.00 C ATOM 678 O ARG A 46 -6.811 -1.086 1.343 1.00 0.00 O ATOM 679 CB ARG A 46 -9.039 -3.558 0.800 1.00 0.00 C ATOM 680 CG ARG A 46 -9.277 -5.027 0.485 1.00 0.00 C ATOM 681 CD ARG A 46 -9.842 -5.229 -0.912 1.00 0.00 C ATOM 682 NE ARG A 46 -11.194 -4.682 -1.036 1.00 0.00 N ATOM 683 CZ ARG A 46 -12.306 -5.420 -0.974 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.234 -6.728 -0.790 1.00 0.00 N ATOM 685 NH2 ARG A 46 -13.497 -4.850 -1.110 1.00 0.00 N ATOM 0 H ARG A 46 -6.712 -3.994 1.780 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.714 -3.158 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.046 -3.422 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.865 -2.971 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.339 -5.574 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.965 -5.447 1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.188 -4.751 -1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.857 -6.293 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.293 -3.677 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.325 -7.180 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.088 -7.284 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.566 -3.844 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.343 -5.418 -1.062 1.00 0.00 H new ATOM 699 N LEU A 47 -8.504 -0.785 -0.105 1.00 0.00 N ATOM 700 CA LEU A 47 -8.512 0.667 0.005 1.00 0.00 C ATOM 701 C LEU A 47 -9.891 1.211 -0.251 1.00 0.00 C ATOM 702 O LEU A 47 -10.276 1.448 -1.395 1.00 0.00 O ATOM 703 CB LEU A 47 -7.500 1.356 -0.907 1.00 0.00 C ATOM 704 CG LEU A 47 -6.233 1.869 -0.203 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.560 2.363 1.202 1.00 0.00 C ATOM 706 CD2 LEU A 47 -5.151 0.801 -0.154 1.00 0.00 C ATOM 0 H LEU A 47 -9.238 -1.166 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.211 0.891 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.205 0.657 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.990 2.197 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.848 2.706 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.650 2.722 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.284 3.176 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.981 1.545 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.270 1.198 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.521 -0.067 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.885 0.505 -1.169 1.00 0.00 H new ATOM 718 N ARG A 48 -10.629 1.421 0.798 1.00 0.00 N ATOM 719 CA ARG A 48 -11.942 1.979 0.674 1.00 0.00 C ATOM 720 C ARG A 48 -11.831 3.478 0.477 1.00 0.00 C ATOM 721 O ARG A 48 -10.976 4.138 1.067 1.00 0.00 O ATOM 722 CB ARG A 48 -12.790 1.654 1.904 1.00 0.00 C ATOM 723 CG ARG A 48 -14.281 1.690 1.610 1.00 0.00 C ATOM 724 CD ARG A 48 -15.120 1.357 2.831 1.00 0.00 C ATOM 725 NE ARG A 48 -15.186 2.464 3.784 1.00 0.00 N ATOM 726 CZ ARG A 48 -15.953 2.455 4.876 1.00 0.00 C ATOM 727 NH1 ARG A 48 -16.716 1.402 5.147 1.00 0.00 N ATOM 728 NH2 ARG A 48 -15.965 3.506 5.687 1.00 0.00 N ATOM 0 H ARG A 48 -10.342 1.213 1.754 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.437 1.539 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.520 0.666 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.562 2.366 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.553 2.680 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.508 0.983 0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.129 1.094 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.703 0.480 3.326 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.614 3.289 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.717 0.598 4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.301 1.398 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.388 4.320 5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.551 3.499 6.522 1.00 0.00 H new ATOM 742 N GLU A 49 -12.709 4.005 -0.338 1.00 0.00 N ATOM 743 CA GLU A 49 -12.679 5.411 -0.641 1.00 0.00 C ATOM 744 C GLU A 49 -13.840 6.082 0.046 1.00 0.00 C ATOM 745 O GLU A 49 -14.974 5.605 -0.011 1.00 0.00 O ATOM 746 CB GLU A 49 -12.725 5.667 -2.145 1.00 0.00 C ATOM 747 CG GLU A 49 -11.687 6.670 -2.631 1.00 0.00 C ATOM 748 CD GLU A 49 -11.864 8.052 -2.033 1.00 0.00 C ATOM 749 OE1 GLU A 49 -11.465 8.257 -0.869 1.00 0.00 O ATOM 750 OE2 GLU A 49 -12.409 8.933 -2.722 1.00 0.00 O ATOM 0 H GLU A 49 -13.452 3.482 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.740 5.827 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.577 4.723 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.718 6.028 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.691 6.300 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.742 6.742 -3.717 1.00 0.00 H new ATOM 757 N ARG A 50 -13.548 7.167 0.715 1.00 0.00 N ATOM 758 CA ARG A 50 -14.588 7.933 1.385 1.00 0.00 C ATOM 759 C ARG A 50 -15.118 9.022 0.463 1.00 0.00 C ATOM 760 O ARG A 50 -15.723 9.998 0.908 1.00 0.00 O ATOM 761 CB ARG A 50 -14.093 8.518 2.709 1.00 0.00 C ATOM 762 CG ARG A 50 -12.589 8.472 2.894 1.00 0.00 C ATOM 763 CD ARG A 50 -12.205 8.856 4.309 1.00 0.00 C ATOM 764 NE ARG A 50 -12.523 10.251 4.581 1.00 0.00 N ATOM 765 CZ ARG A 50 -12.707 10.759 5.802 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.694 9.972 6.869 1.00 0.00 N ATOM 767 NH2 ARG A 50 -12.933 12.053 5.958 1.00 0.00 N ATOM 0 H ARG A 50 -12.606 7.546 0.815 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.407 7.255 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.423 9.554 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.564 7.977 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.222 7.470 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.111 9.150 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.730 8.216 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.138 8.688 4.457 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.611 10.883 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.542 8.969 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.835 10.369 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.967 12.667 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.073 12.437 6.892 1.00 0.00 H new ATOM 781 N GLY A 51 -14.867 8.842 -0.825 1.00 0.00 N ATOM 782 CA GLY A 51 -15.421 9.720 -1.834 1.00 0.00 C ATOM 783 C GLY A 51 -16.124 8.961 -2.952 1.00 0.00 C ATOM 784 O GLY A 51 -16.903 9.548 -3.702 1.00 0.00 O ATOM 0 H GLY A 51 -14.281 8.092 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.128 10.405 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.622 10.328 -2.259 1.00 0.00 H new ATOM 788 N THR A 52 -15.840 7.664 -3.082 1.00 0.00 N ATOM 789 CA THR A 52 -16.468 6.841 -4.119 1.00 0.00 C ATOM 790 C THR A 52 -17.168 5.625 -3.515 1.00 0.00 C ATOM 791 O THR A 52 -17.176 5.439 -2.296 1.00 0.00 O ATOM 792 CB THR A 52 -15.435 6.344 -5.159 1.00 0.00 C ATOM 793 OG1 THR A 52 -14.541 5.399 -4.561 1.00 0.00 O ATOM 794 CG2 THR A 52 -14.626 7.496 -5.725 1.00 0.00 C ATOM 0 H THR A 52 -15.182 7.162 -2.486 1.00 0.00 H new ATOM 0 HA THR A 52 -17.200 7.479 -4.614 1.00 0.00 H new ATOM 0 HB THR A 52 -15.989 5.869 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.894 5.092 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.909 7.115 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.295 8.205 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.092 7.997 -4.918 1.00 0.00 H new ATOM 802 N LYS A 53 -17.776 4.819 -4.380 1.00 0.00 N ATOM 803 CA LYS A 53 -18.363 3.549 -3.979 1.00 0.00 C ATOM 804 C LYS A 53 -17.509 2.403 -4.510 1.00 0.00 C ATOM 805 O LYS A 53 -18.009 1.323 -4.836 1.00 0.00 O ATOM 806 CB LYS A 53 -19.801 3.419 -4.499 1.00 0.00 C ATOM 807 CG LYS A 53 -19.898 3.253 -6.006 1.00 0.00 C ATOM 808 CD LYS A 53 -21.340 3.101 -6.455 1.00 0.00 C ATOM 809 CE LYS A 53 -21.448 2.984 -7.965 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.860 2.842 -8.405 1.00 0.00 N ATOM 0 H LYS A 53 -17.874 5.028 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.393 3.508 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -20.275 2.563 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.365 4.304 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.451 4.117 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -19.325 2.379 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.775 2.217 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -21.920 3.959 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -21.009 3.866 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.872 2.123 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.895 2.765 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.272 1.987 -7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -23.404 3.675 -8.102 1.00 0.00 H new ATOM 824 N LYS A 54 -16.211 2.639 -4.566 1.00 0.00 N ATOM 825 CA LYS A 54 -15.289 1.675 -5.152 1.00 0.00 C ATOM 826 C LYS A 54 -14.082 1.476 -4.249 1.00 0.00 C ATOM 827 O LYS A 54 -13.379 2.431 -3.913 1.00 0.00 O ATOM 828 CB LYS A 54 -14.820 2.137 -6.536 1.00 0.00 C ATOM 829 CG LYS A 54 -15.947 2.331 -7.539 1.00 0.00 C ATOM 830 CD LYS A 54 -15.423 2.789 -8.894 1.00 0.00 C ATOM 831 CE LYS A 54 -14.495 1.758 -9.533 1.00 0.00 C ATOM 832 NZ LYS A 54 -15.210 0.509 -9.911 1.00 0.00 N ATOM 0 H LYS A 54 -15.769 3.488 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.820 0.729 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.277 3.076 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.116 1.405 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.494 1.395 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.654 3.067 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.264 2.981 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.889 3.732 -8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.031 2.191 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.691 1.517 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.558 -0.125 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.558 0.035 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.014 0.742 -10.528 1.00 0.00 H new ATOM 846 N VAL A 55 -13.840 0.236 -3.865 1.00 0.00 N ATOM 847 CA VAL A 55 -12.705 -0.076 -3.019 1.00 0.00 C ATOM 848 C VAL A 55 -11.519 -0.494 -3.876 1.00 0.00 C ATOM 849 O VAL A 55 -11.620 -1.395 -4.699 1.00 0.00 O ATOM 850 CB VAL A 55 -13.035 -1.192 -2.004 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.853 -1.462 -1.089 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.258 -0.826 -1.181 1.00 0.00 C ATOM 0 H VAL A 55 -14.412 -0.568 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.455 0.823 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.251 -2.100 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.112 -2.252 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.995 -1.774 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.603 -0.554 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.473 -1.626 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.067 0.099 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.113 -0.688 -1.842 1.00 0.00 H new ATOM 862 N HIS A 56 -10.399 0.173 -3.684 1.00 0.00 N ATOM 863 CA HIS A 56 -9.198 -0.117 -4.450 1.00 0.00 C ATOM 864 C HIS A 56 -8.500 -1.323 -3.841 1.00 0.00 C ATOM 865 O HIS A 56 -8.588 -1.541 -2.640 1.00 0.00 O ATOM 866 CB HIS A 56 -8.245 1.098 -4.463 1.00 0.00 C ATOM 867 CG HIS A 56 -8.910 2.421 -4.745 1.00 0.00 C ATOM 868 ND1 HIS A 56 -9.051 2.938 -6.016 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.467 3.341 -3.910 1.00 0.00 C ATOM 870 CE1 HIS A 56 -9.665 4.107 -5.952 1.00 0.00 C ATOM 871 NE2 HIS A 56 -9.925 4.373 -4.689 1.00 0.00 N ATOM 0 H HIS A 56 -10.293 0.923 -3.001 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.478 -0.334 -5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.743 1.158 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.473 0.928 -5.214 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.731 2.488 -6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.535 3.271 -2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.912 4.737 -6.794 1.00 0.00 H new ATOM 880 N VAL A 57 -7.856 -2.135 -4.661 1.00 0.00 N ATOM 881 CA VAL A 57 -7.082 -3.247 -4.134 1.00 0.00 C ATOM 882 C VAL A 57 -5.726 -3.343 -4.820 1.00 0.00 C ATOM 883 O VAL A 57 -5.623 -3.310 -6.051 1.00 0.00 O ATOM 884 CB VAL A 57 -7.841 -4.593 -4.241 1.00 0.00 C ATOM 885 CG1 VAL A 57 -8.185 -4.933 -5.682 1.00 0.00 C ATOM 886 CG2 VAL A 57 -7.031 -5.712 -3.605 1.00 0.00 C ATOM 0 H VAL A 57 -7.852 -2.049 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.924 -3.046 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.780 -4.486 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.717 -5.884 -5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.817 -4.149 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.268 -5.010 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.579 -6.651 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.073 -5.804 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.860 -5.485 -2.553 1.00 0.00 H new ATOM 896 N PHE A 58 -4.683 -3.382 -4.005 1.00 0.00 N ATOM 897 CA PHE A 58 -3.336 -3.567 -4.488 1.00 0.00 C ATOM 898 C PHE A 58 -2.717 -4.689 -3.676 1.00 0.00 C ATOM 899 O PHE A 58 -3.002 -4.809 -2.484 1.00 0.00 O ATOM 900 CB PHE A 58 -2.443 -2.314 -4.268 1.00 0.00 C ATOM 901 CG PHE A 58 -2.949 -0.955 -4.708 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.295 -0.639 -4.824 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.020 0.035 -4.969 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.694 0.631 -5.195 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.411 1.299 -5.344 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.748 1.600 -5.457 1.00 0.00 C ATOM 0 H PHE A 58 -4.753 -3.286 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.388 -3.773 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.223 -2.252 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.497 -2.492 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.040 -1.395 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.967 -0.188 -4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.745 0.864 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.668 2.055 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.057 2.593 -5.750 1.00 0.00 H new ATOM 916 N LYS A 59 -1.901 -5.531 -4.284 1.00 0.00 N ATOM 917 CA LYS A 59 -0.972 -6.296 -3.478 1.00 0.00 C ATOM 918 C LYS A 59 0.055 -5.353 -2.904 1.00 0.00 C ATOM 919 O LYS A 59 0.153 -4.205 -3.322 1.00 0.00 O ATOM 920 CB LYS A 59 -0.284 -7.436 -4.242 1.00 0.00 C ATOM 921 CG LYS A 59 0.131 -7.120 -5.670 1.00 0.00 C ATOM 922 CD LYS A 59 -0.875 -7.677 -6.667 1.00 0.00 C ATOM 923 CE LYS A 59 -1.157 -9.154 -6.415 1.00 0.00 C ATOM 924 NZ LYS A 59 0.051 -10.002 -6.602 1.00 0.00 N ATOM 0 H LYS A 59 -1.861 -5.698 -5.289 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.545 -6.779 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.603 -7.738 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.957 -8.293 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.215 -6.041 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.116 -7.542 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.805 -7.112 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.494 -7.546 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.533 -9.281 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.943 -9.492 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.203 -11.002 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.427 -9.864 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.775 -9.733 -5.905 1.00 0.00 H new ATOM 938 N ALA A 60 0.869 -5.857 -2.016 1.00 0.00 N ATOM 939 CA ALA A 60 1.614 -5.000 -1.119 1.00 0.00 C ATOM 940 C ALA A 60 2.619 -5.818 -0.347 1.00 0.00 C ATOM 941 O ALA A 60 2.304 -6.885 0.173 1.00 0.00 O ATOM 942 CB ALA A 60 0.674 -4.278 -0.187 1.00 0.00 C ATOM 0 H ALA A 60 1.037 -6.855 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 60 2.152 -4.252 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.247 -3.637 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.018 -3.669 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.113 -5.006 0.399 1.00 0.00 H new ATOM 948 N TRP A 61 3.826 -5.323 -0.294 1.00 0.00 N ATOM 949 CA TRP A 61 4.924 -6.057 0.278 1.00 0.00 C ATOM 950 C TRP A 61 5.998 -5.075 0.677 1.00 0.00 C ATOM 951 O TRP A 61 5.816 -3.866 0.545 1.00 0.00 O ATOM 952 CB TRP A 61 5.455 -7.074 -0.747 1.00 0.00 C ATOM 953 CG TRP A 61 6.012 -6.460 -2.001 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.325 -6.195 -2.262 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.281 -6.038 -3.171 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.454 -5.648 -3.511 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.223 -5.534 -4.080 1.00 0.00 C ATOM 958 CE3 TRP A 61 3.929 -6.033 -3.543 1.00 0.00 C ATOM 959 CZ2 TRP A 61 5.871 -5.033 -5.321 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.582 -5.535 -4.782 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.550 -5.040 -5.658 1.00 0.00 C ATOM 0 H TRP A 61 4.077 -4.399 -0.646 1.00 0.00 H new ATOM 0 HA TRP A 61 4.599 -6.609 1.160 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.232 -7.675 -0.275 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.647 -7.754 -1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.142 -6.388 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.334 -5.370 -3.946 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.173 -6.412 -2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.618 -4.649 -6.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.544 -5.528 -5.079 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.247 -4.655 -6.621 1.00 0.00 H new ATOM 972 N LYS A 62 7.105 -5.571 1.174 1.00 0.00 N ATOM 973 CA LYS A 62 8.217 -4.708 1.480 1.00 0.00 C ATOM 974 C LYS A 62 9.501 -5.290 0.901 1.00 0.00 C ATOM 975 O LYS A 62 9.704 -6.505 0.901 1.00 0.00 O ATOM 976 CB LYS A 62 8.346 -4.468 2.992 1.00 0.00 C ATOM 977 CG LYS A 62 7.307 -3.489 3.532 1.00 0.00 C ATOM 978 CD LYS A 62 7.593 -3.053 4.962 1.00 0.00 C ATOM 979 CE LYS A 62 7.478 -4.217 5.918 1.00 0.00 C ATOM 980 NZ LYS A 62 7.621 -3.809 7.344 1.00 0.00 N ATOM 0 H LYS A 62 7.259 -6.559 1.373 1.00 0.00 H new ATOM 0 HA LYS A 62 8.035 -3.737 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.247 -5.419 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.344 -4.087 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.275 -2.610 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.321 -3.952 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.594 -2.626 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.894 -2.269 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.512 -4.702 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.243 -4.956 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.568 -4.650 7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.539 -3.340 7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.856 -3.151 7.595 1.00 0.00 H new ATOM 994 N GLU A 63 10.356 -4.411 0.417 1.00 0.00 N ATOM 995 CA GLU A 63 11.583 -4.799 -0.272 1.00 0.00 C ATOM 996 C GLU A 63 12.740 -4.022 0.310 1.00 0.00 C ATOM 997 O GLU A 63 12.539 -3.148 1.143 1.00 0.00 O ATOM 998 CB GLU A 63 11.517 -4.495 -1.766 1.00 0.00 C ATOM 999 CG GLU A 63 10.343 -5.092 -2.495 1.00 0.00 C ATOM 1000 CD GLU A 63 10.486 -4.938 -3.995 1.00 0.00 C ATOM 1001 OE1 GLU A 63 11.547 -5.314 -4.536 1.00 0.00 O ATOM 1002 OE2 GLU A 63 9.540 -4.445 -4.643 1.00 0.00 O ATOM 0 H GLU A 63 10.224 -3.402 0.488 1.00 0.00 H new ATOM 0 HA GLU A 63 11.712 -5.873 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.494 -3.413 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.434 -4.854 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.256 -6.149 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.424 -4.609 -2.164 1.00 0.00 H new ATOM 1009 N ILE A 64 13.947 -4.324 -0.130 1.00 0.00 N ATOM 1010 CA ILE A 64 15.104 -3.617 0.376 1.00 0.00 C ATOM 1011 C ILE A 64 15.514 -2.449 -0.532 1.00 0.00 C ATOM 1012 O ILE A 64 15.553 -2.549 -1.761 1.00 0.00 O ATOM 1013 CB ILE A 64 16.290 -4.565 0.660 1.00 0.00 C ATOM 1014 CG1 ILE A 64 17.539 -3.770 1.038 1.00 0.00 C ATOM 1015 CG2 ILE A 64 16.557 -5.475 -0.528 1.00 0.00 C ATOM 1016 CD1 ILE A 64 18.685 -4.624 1.531 1.00 0.00 C ATOM 0 H ILE A 64 14.149 -5.042 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 64 14.807 -3.186 1.332 1.00 0.00 H new ATOM 0 HB ILE A 64 16.024 -5.197 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 64 17.871 -3.200 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 64 17.278 -3.049 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 64 17.397 -6.132 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.671 -6.076 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.795 -4.870 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 64 19.534 -3.986 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.373 -5.174 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.976 -5.328 0.751 1.00 0.00 H new ATOM 1028 N VAL A 65 15.782 -1.346 0.143 1.00 0.00 N ATOM 1029 CA VAL A 65 16.145 -0.071 -0.483 1.00 0.00 C ATOM 1030 C VAL A 65 17.319 0.549 0.240 1.00 0.00 C ATOM 1031 O VAL A 65 17.892 -0.082 1.121 1.00 0.00 O ATOM 1032 CB VAL A 65 14.983 0.934 -0.441 1.00 0.00 C ATOM 1033 CG1 VAL A 65 13.763 0.386 -1.164 1.00 0.00 C ATOM 1034 CG2 VAL A 65 14.661 1.293 1.002 1.00 0.00 C ATOM 0 H VAL A 65 15.755 -1.302 1.162 1.00 0.00 H new ATOM 0 HA VAL A 65 16.398 -0.287 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 65 15.284 1.843 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.955 1.116 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 65 14.016 0.188 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.442 -0.539 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.837 2.006 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.377 0.392 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 65 15.539 1.739 1.471 1.00 0.00 H new ATOM 1044 N ASP A 66 17.695 1.768 -0.140 1.00 0.00 N ATOM 1045 CA ASP A 66 18.621 2.548 0.657 1.00 0.00 C ATOM 1046 C ASP A 66 17.835 3.563 1.487 1.00 0.00 C ATOM 1047 O ASP A 66 16.660 3.825 1.220 1.00 0.00 O ATOM 1048 CB ASP A 66 19.646 3.265 -0.231 1.00 0.00 C ATOM 1049 CG ASP A 66 19.075 4.477 -0.938 1.00 0.00 C ATOM 1050 OD1 ASP A 66 18.227 4.306 -1.840 1.00 0.00 O ATOM 1051 OD2 ASP A 66 19.479 5.610 -0.600 1.00 0.00 O ATOM 0 H ASP A 66 17.372 2.229 -0.990 1.00 0.00 H new ATOM 0 HA ASP A 66 19.169 1.878 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.494 3.574 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.027 2.564 -0.974 1.00 0.00 H new ATOM 1056 N ALA A 67 18.493 4.138 2.470 1.00 0.00 N ATOM 1057 CA ALA A 67 17.825 4.909 3.498 1.00 0.00 C ATOM 1058 C ALA A 67 18.686 6.121 3.865 1.00 0.00 C ATOM 1059 O ALA A 67 19.743 6.322 3.260 1.00 0.00 O ATOM 1060 CB ALA A 67 17.551 4.008 4.689 1.00 0.00 C ATOM 0 H ALA A 67 19.506 4.085 2.580 1.00 0.00 H new ATOM 0 HA ALA A 67 16.868 5.289 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 67 17.048 4.579 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 67 16.915 3.179 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 67 18.493 3.618 5.075 1.00 0.00 H new ATOM 1066 N PRO A 68 18.276 6.944 4.847 1.00 0.00 N ATOM 1067 CA PRO A 68 19.113 8.020 5.342 1.00 0.00 C ATOM 1068 C PRO A 68 20.093 7.517 6.397 1.00 0.00 C ATOM 1069 O PRO A 68 19.799 6.581 7.143 1.00 0.00 O ATOM 1070 CB PRO A 68 18.108 9.008 5.927 1.00 0.00 C ATOM 1071 CG PRO A 68 16.921 8.192 6.322 1.00 0.00 C ATOM 1072 CD PRO A 68 16.984 6.896 5.549 1.00 0.00 C ATOM 0 HA PRO A 68 19.738 8.467 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.528 9.530 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.835 9.768 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 68 16.928 7.999 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.997 8.726 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.926 6.035 6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.154 6.813 4.847 1.00 0.00 H new ATOM 1080 N LYS A 69 21.257 8.143 6.458 1.00 0.00 N ATOM 1081 CA LYS A 69 22.348 7.662 7.301 1.00 0.00 C ATOM 1082 C LYS A 69 22.133 8.032 8.770 1.00 0.00 C ATOM 1083 O LYS A 69 22.978 7.741 9.616 1.00 0.00 O ATOM 1084 CB LYS A 69 23.694 8.225 6.815 1.00 0.00 C ATOM 1085 CG LYS A 69 24.266 7.577 5.552 1.00 0.00 C ATOM 1086 CD LYS A 69 23.352 7.730 4.343 1.00 0.00 C ATOM 1087 CE LYS A 69 24.102 7.522 3.030 1.00 0.00 C ATOM 1088 NZ LYS A 69 24.838 6.230 2.989 1.00 0.00 N ATOM 0 H LYS A 69 21.475 8.990 5.932 1.00 0.00 H new ATOM 0 HA LYS A 69 22.362 6.575 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 69 23.576 9.293 6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 69 24.423 8.118 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 69 25.235 8.023 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 69 24.438 6.517 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.536 7.011 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.903 8.723 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.394 7.559 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.806 8.341 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.315 6.131 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.546 6.209 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.168 5.445 3.117 1.00 0.00 H new ATOM 1102 N ASN A 70 21.006 8.666 9.077 1.00 0.00 N ATOM 1103 CA ASN A 70 20.714 9.082 10.444 1.00 0.00 C ATOM 1104 C ASN A 70 19.926 8.009 11.179 1.00 0.00 C ATOM 1105 O ASN A 70 19.451 8.216 12.297 1.00 0.00 O ATOM 1106 CB ASN A 70 19.937 10.403 10.467 1.00 0.00 C ATOM 1107 CG ASN A 70 18.550 10.291 9.857 1.00 0.00 C ATOM 1108 OD1 ASN A 70 18.341 9.567 8.887 1.00 0.00 O ATOM 1109 ND2 ASN A 70 17.587 10.992 10.434 1.00 0.00 N ATOM 0 H ASN A 70 20.281 8.903 8.399 1.00 0.00 H new ATOM 0 HA ASN A 70 21.667 9.231 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 70 19.847 10.747 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 70 20.505 11.161 9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.634 10.941 10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 70 17.798 11.583 11.238 1.00 0.00 H new ATOM 1116 N ARG A 71 19.794 6.868 10.535 1.00 0.00 N ATOM 1117 CA ARG A 71 19.124 5.708 11.103 1.00 0.00 C ATOM 1118 C ARG A 71 19.936 5.093 12.262 1.00 0.00 C ATOM 1119 O ARG A 71 21.065 5.523 12.516 1.00 0.00 O ATOM 1120 CB ARG A 71 18.901 4.699 9.984 1.00 0.00 C ATOM 1121 CG ARG A 71 17.552 4.815 9.320 1.00 0.00 C ATOM 1122 CD ARG A 71 17.613 4.233 7.924 1.00 0.00 C ATOM 1123 NE ARG A 71 16.444 3.433 7.554 1.00 0.00 N ATOM 1124 CZ ARG A 71 15.167 3.846 7.590 1.00 0.00 C ATOM 1125 NH1 ARG A 71 14.851 5.075 7.985 1.00 0.00 N ATOM 1126 NH2 ARG A 71 14.199 3.014 7.218 1.00 0.00 N ATOM 0 H ARG A 71 20.151 6.714 9.592 1.00 0.00 H new ATOM 0 HA ARG A 71 18.167 6.009 11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.679 4.828 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.012 3.693 10.388 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.800 4.290 9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.248 5.861 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.723 5.047 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.505 3.612 7.840 1.00 0.00 H new ATOM 0 HE ARG A 71 16.615 2.477 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.585 5.724 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.874 5.369 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.429 2.070 6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.226 3.320 7.242 1.00 0.00 H new ATOM 1140 N PRO A 72 19.363 4.111 13.006 1.00 0.00 N ATOM 1141 CA PRO A 72 20.032 3.466 14.158 1.00 0.00 C ATOM 1142 C PRO A 72 21.423 2.905 13.846 1.00 0.00 C ATOM 1143 O PRO A 72 21.903 2.975 12.714 1.00 0.00 O ATOM 1144 CB PRO A 72 19.091 2.313 14.517 1.00 0.00 C ATOM 1145 CG PRO A 72 17.756 2.753 14.041 1.00 0.00 C ATOM 1146 CD PRO A 72 18.010 3.555 12.797 1.00 0.00 C ATOM 0 HA PRO A 72 20.201 4.193 14.953 1.00 0.00 H new ATOM 0 HB2 PRO A 72 19.398 1.386 14.033 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.086 2.125 15.591 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.114 1.897 13.831 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.249 3.353 14.797 1.00 0.00 H new ATOM 0 HD2 PRO A 72 17.967 2.932 11.904 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.268 4.344 12.671 1.00 0.00 H new ATOM 1154 N ALA A 73 22.071 2.349 14.860 1.00 0.00 N ATOM 1155 CA ALA A 73 23.381 1.740 14.680 1.00 0.00 C ATOM 1156 C ALA A 73 23.317 0.608 13.663 1.00 0.00 C ATOM 1157 O ALA A 73 24.122 0.551 12.728 1.00 0.00 O ATOM 1158 CB ALA A 73 23.916 1.229 16.009 1.00 0.00 C ATOM 0 H ALA A 73 21.712 2.307 15.814 1.00 0.00 H new ATOM 0 HA ALA A 73 24.061 2.502 14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.896 0.777 15.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.004 2.060 16.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.231 0.484 16.415 1.00 0.00 H new ATOM 1164 N TRP A 74 22.342 -0.273 13.828 1.00 0.00 N ATOM 1165 CA TRP A 74 22.223 -1.443 12.967 1.00 0.00 C ATOM 1166 C TRP A 74 21.542 -1.097 11.652 1.00 0.00 C ATOM 1167 O TRP A 74 21.918 -1.602 10.595 1.00 0.00 O ATOM 1168 CB TRP A 74 21.401 -2.518 13.685 1.00 0.00 C ATOM 1169 CG TRP A 74 20.123 -1.987 14.287 1.00 0.00 C ATOM 1170 CD1 TRP A 74 19.990 -1.406 15.518 1.00 0.00 C ATOM 1171 CD2 TRP A 74 18.806 -1.975 13.698 1.00 0.00 C ATOM 1172 NE1 TRP A 74 18.688 -1.038 15.728 1.00 0.00 N ATOM 1173 CE2 TRP A 74 17.943 -1.380 14.638 1.00 0.00 C ATOM 1174 CE3 TRP A 74 18.262 -2.405 12.474 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 16.585 -1.207 14.404 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 16.910 -2.228 12.248 1.00 0.00 C ATOM 1177 CH2 TRP A 74 16.086 -1.637 13.210 1.00 0.00 C ATOM 0 H TRP A 74 21.623 -0.202 14.548 1.00 0.00 H new ATOM 0 HA TRP A 74 23.227 -1.808 12.750 1.00 0.00 H new ATOM 0 HB2 TRP A 74 21.160 -3.313 12.979 1.00 0.00 H new ATOM 0 HB3 TRP A 74 22.008 -2.964 14.473 1.00 0.00 H new ATOM 0 HD1 TRP A 74 20.795 -1.259 16.222 1.00 0.00 H new ATOM 0 HE1 TRP A 74 18.332 -0.580 16.567 1.00 0.00 H new ATOM 0 HE3 TRP A 74 18.889 -2.865 11.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.946 -0.747 15.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 16.482 -2.552 11.311 1.00 0.00 H new ATOM 0 HH2 TRP A 74 15.033 -1.518 13.003 1.00 0.00 H new ATOM 1188 N MET A 75 20.530 -0.249 11.736 1.00 0.00 N ATOM 1189 CA MET A 75 19.797 0.162 10.555 1.00 0.00 C ATOM 1190 C MET A 75 20.549 1.190 9.733 1.00 0.00 C ATOM 1191 O MET A 75 20.819 2.294 10.198 1.00 0.00 O ATOM 1192 CB MET A 75 18.436 0.723 10.938 1.00 0.00 C ATOM 1193 CG MET A 75 17.525 0.877 9.745 1.00 0.00 C ATOM 1194 SD MET A 75 16.030 1.812 10.107 1.00 0.00 S ATOM 1195 CE MET A 75 15.103 0.593 11.009 1.00 0.00 C ATOM 0 H MET A 75 20.200 0.166 12.607 1.00 0.00 H new ATOM 0 HA MET A 75 19.672 -0.731 9.942 1.00 0.00 H new ATOM 0 HB2 MET A 75 17.966 0.064 11.669 1.00 0.00 H new ATOM 0 HB3 MET A 75 18.567 1.692 11.420 1.00 0.00 H new ATOM 0 HG2 MET A 75 18.070 1.373 8.942 1.00 0.00 H new ATOM 0 HG3 MET A 75 17.247 -0.111 9.379 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.044 0.692 10.771 1.00 0.00 H new ATOM 0 HE2 MET A 75 15.446 -0.404 10.732 1.00 0.00 H new ATOM 0 HE3 MET A 75 15.250 0.742 12.079 1.00 0.00 H new ATOM 1205 N PRO A 76 20.928 0.829 8.509 1.00 0.00 N ATOM 1206 CA PRO A 76 21.473 1.738 7.546 1.00 0.00 C ATOM 1207 C PRO A 76 20.512 2.003 6.409 1.00 0.00 C ATOM 1208 O PRO A 76 19.296 1.884 6.560 1.00 0.00 O ATOM 1209 CB PRO A 76 22.631 0.933 7.009 1.00 0.00 C ATOM 1210 CG PRO A 76 22.163 -0.481 7.061 1.00 0.00 C ATOM 1211 CD PRO A 76 20.939 -0.518 7.951 1.00 0.00 C ATOM 0 HA PRO A 76 21.717 2.711 7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.882 1.230 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 76 23.527 1.076 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 76 21.922 -0.843 6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 76 22.945 -1.130 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 76 20.031 -0.733 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 76 21.021 -1.280 8.726 1.00 0.00 H new ATOM 1219 N GLU A 77 21.073 2.397 5.281 1.00 0.00 N ATOM 1220 CA GLU A 77 20.369 2.456 4.029 1.00 0.00 C ATOM 1221 C GLU A 77 19.672 1.167 3.692 1.00 0.00 C ATOM 1222 O GLU A 77 18.464 1.148 3.522 1.00 0.00 O ATOM 1223 CB GLU A 77 21.352 2.861 2.929 1.00 0.00 C ATOM 1224 CG GLU A 77 22.674 2.124 2.998 1.00 0.00 C ATOM 1225 CD GLU A 77 23.771 2.826 2.236 1.00 0.00 C ATOM 1226 OE1 GLU A 77 23.903 2.588 1.020 1.00 0.00 O ATOM 1227 OE2 GLU A 77 24.516 3.614 2.853 1.00 0.00 O ATOM 0 H GLU A 77 22.048 2.689 5.216 1.00 0.00 H new ATOM 0 HA GLU A 77 19.580 3.203 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.893 2.678 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 77 21.539 3.933 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 77 22.972 2.017 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 22.546 1.118 2.599 1.00 0.00 H new ATOM 1234 N LYS A 78 20.417 0.100 3.581 1.00 0.00 N ATOM 1235 CA LYS A 78 19.817 -1.117 3.104 1.00 0.00 C ATOM 1236 C LYS A 78 18.995 -1.761 4.203 1.00 0.00 C ATOM 1237 O LYS A 78 19.538 -2.254 5.193 1.00 0.00 O ATOM 1238 CB LYS A 78 20.894 -2.063 2.572 1.00 0.00 C ATOM 1239 CG LYS A 78 21.855 -1.386 1.604 1.00 0.00 C ATOM 1240 CD LYS A 78 21.149 -0.337 0.749 1.00 0.00 C ATOM 1241 CE LYS A 78 22.101 0.329 -0.227 1.00 0.00 C ATOM 1242 NZ LYS A 78 22.667 -0.629 -1.211 1.00 0.00 N ATOM 0 H LYS A 78 21.410 0.046 3.806 1.00 0.00 H new ATOM 0 HA LYS A 78 19.143 -0.887 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 78 21.459 -2.470 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.415 -2.905 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 78 22.664 -0.915 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 78 22.309 -2.137 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.333 -0.806 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.704 0.419 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.576 1.123 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.914 0.799 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 23.158 -0.105 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 23.341 -1.261 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 21.899 -1.193 -1.627 1.00 0.00 H new ATOM 1256 N ILE A 79 17.680 -1.797 3.970 1.00 0.00 N ATOM 1257 CA ILE A 79 16.693 -2.273 4.930 1.00 0.00 C ATOM 1258 C ILE A 79 15.387 -2.542 4.182 1.00 0.00 C ATOM 1259 O ILE A 79 15.316 -2.357 2.968 1.00 0.00 O ATOM 1260 CB ILE A 79 16.391 -1.284 6.115 1.00 0.00 C ATOM 1261 CG1 ILE A 79 15.443 -0.127 5.728 1.00 0.00 C ATOM 1262 CG2 ILE A 79 17.650 -0.727 6.763 1.00 0.00 C ATOM 1263 CD1 ILE A 79 15.775 0.604 4.445 1.00 0.00 C ATOM 0 H ILE A 79 17.268 -1.489 3.089 1.00 0.00 H new ATOM 0 HA ILE A 79 17.117 -3.169 5.384 1.00 0.00 H new ATOM 0 HB ILE A 79 15.875 -1.902 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.432 -0.525 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.434 0.597 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.374 -0.052 7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.247 -1.547 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.232 -0.183 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.043 1.394 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.770 1.042 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.752 -0.097 3.610 1.00 0.00 H new ATOM 1275 N SER A 80 14.370 -2.951 4.908 1.00 0.00 N ATOM 1276 CA SER A 80 13.035 -3.140 4.358 1.00 0.00 C ATOM 1277 C SER A 80 12.330 -1.798 4.082 1.00 0.00 C ATOM 1278 O SER A 80 12.660 -0.772 4.674 1.00 0.00 O ATOM 1279 CB SER A 80 12.226 -4.003 5.315 1.00 0.00 C ATOM 1280 OG SER A 80 12.518 -3.667 6.663 1.00 0.00 O ATOM 0 H SER A 80 14.441 -3.165 5.903 1.00 0.00 H new ATOM 0 HA SER A 80 13.119 -3.644 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.162 -3.867 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.449 -5.056 5.141 1.00 0.00 H new ATOM 0 HG SER A 80 11.987 -4.231 7.263 1.00 0.00 H new ATOM 1286 N LYS A 81 11.335 -1.827 3.202 1.00 0.00 N ATOM 1287 CA LYS A 81 10.695 -0.625 2.699 1.00 0.00 C ATOM 1288 C LYS A 81 9.356 -1.003 2.084 1.00 0.00 C ATOM 1289 O LYS A 81 9.271 -2.008 1.398 1.00 0.00 O ATOM 1290 CB LYS A 81 11.572 0.027 1.633 1.00 0.00 C ATOM 1291 CG LYS A 81 11.438 1.529 1.577 1.00 0.00 C ATOM 1292 CD LYS A 81 10.208 1.906 0.792 1.00 0.00 C ATOM 1293 CE LYS A 81 10.484 1.930 -0.701 1.00 0.00 C ATOM 1294 NZ LYS A 81 9.253 2.207 -1.487 1.00 0.00 N ATOM 0 H LYS A 81 10.951 -2.690 2.818 1.00 0.00 H new ATOM 0 HA LYS A 81 10.549 0.079 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.614 -0.230 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.315 -0.389 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.374 1.935 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.323 1.965 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.409 1.196 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.857 2.886 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.233 2.691 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.903 0.972 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.473 2.165 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.529 1.496 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.895 3.154 -1.249 1.00 0.00 H new ATOM 1308 N PRO A 82 8.291 -0.233 2.358 1.00 0.00 N ATOM 1309 CA PRO A 82 6.972 -0.446 1.742 1.00 0.00 C ATOM 1310 C PRO A 82 7.006 -0.519 0.209 1.00 0.00 C ATOM 1311 O PRO A 82 7.799 0.161 -0.442 1.00 0.00 O ATOM 1312 CB PRO A 82 6.175 0.780 2.187 1.00 0.00 C ATOM 1313 CG PRO A 82 6.807 1.197 3.466 1.00 0.00 C ATOM 1314 CD PRO A 82 8.270 0.879 3.327 1.00 0.00 C ATOM 0 HA PRO A 82 6.549 -1.403 2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.224 1.575 1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.121 0.538 2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.654 2.261 3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.370 0.663 4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.835 1.738 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.710 0.588 4.281 1.00 0.00 H new ATOM 1322 N PHE A 83 6.014 -1.219 -0.326 1.00 0.00 N ATOM 1323 CA PHE A 83 5.879 -1.526 -1.761 1.00 0.00 C ATOM 1324 C PHE A 83 4.456 -2.026 -1.989 1.00 0.00 C ATOM 1325 O PHE A 83 3.817 -2.517 -1.061 1.00 0.00 O ATOM 1326 CB PHE A 83 6.899 -2.550 -2.301 1.00 0.00 C ATOM 1327 CG PHE A 83 8.283 -1.997 -2.464 1.00 0.00 C ATOM 1328 CD1 PHE A 83 9.169 -2.030 -1.414 1.00 0.00 C ATOM 1329 CD2 PHE A 83 8.682 -1.420 -3.654 1.00 0.00 C ATOM 1330 CE1 PHE A 83 10.438 -1.495 -1.532 1.00 0.00 C ATOM 1331 CE2 PHE A 83 9.949 -0.891 -3.790 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.830 -0.926 -2.725 1.00 0.00 C ATOM 0 H PHE A 83 5.254 -1.604 0.235 1.00 0.00 H new ATOM 0 HA PHE A 83 6.089 -0.611 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.936 -3.403 -1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.551 -2.922 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.868 -2.482 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.995 -1.383 -4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.119 -1.523 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.252 -0.450 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.821 -0.509 -2.827 1.00 0.00 H new ATOM 1342 N VAL A 84 3.969 -1.925 -3.219 1.00 0.00 N ATOM 1343 CA VAL A 84 2.537 -2.098 -3.512 1.00 0.00 C ATOM 1344 C VAL A 84 2.378 -2.286 -5.012 1.00 0.00 C ATOM 1345 O VAL A 84 3.325 -2.054 -5.769 1.00 0.00 O ATOM 1346 CB VAL A 84 1.624 -0.901 -3.072 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.247 -1.381 -2.685 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.208 -0.100 -1.925 1.00 0.00 C ATOM 0 H VAL A 84 4.541 -1.723 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 84 2.210 -2.962 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 84 1.559 -0.245 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.364 -0.530 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.218 -1.878 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.326 -2.082 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.530 0.714 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.342 -0.749 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.172 0.312 -2.223 1.00 0.00 H new ATOM 1358 N LYS A 85 1.191 -2.678 -5.441 1.00 0.00 N ATOM 1359 CA LYS A 85 0.910 -2.863 -6.854 1.00 0.00 C ATOM 1360 C LYS A 85 -0.574 -3.102 -7.075 1.00 0.00 C ATOM 1361 O LYS A 85 -1.066 -4.205 -6.867 1.00 0.00 O ATOM 1362 CB LYS A 85 1.707 -4.057 -7.394 1.00 0.00 C ATOM 1363 CG LYS A 85 1.344 -4.442 -8.819 1.00 0.00 C ATOM 1364 CD LYS A 85 2.048 -5.713 -9.261 1.00 0.00 C ATOM 1365 CE LYS A 85 1.554 -6.165 -10.626 1.00 0.00 C ATOM 1366 NZ LYS A 85 1.840 -5.160 -11.681 1.00 0.00 N ATOM 0 H LYS A 85 0.401 -2.875 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 85 1.205 -1.958 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.770 -3.822 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.544 -4.916 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.265 -4.580 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.609 -3.628 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.124 -5.542 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.875 -6.502 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.028 -7.111 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.480 -6.348 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.612 -5.561 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.262 -4.311 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.847 -4.903 -11.652 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.281 -2.047 -7.460 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.665 -2.174 -7.901 1.00 0.00 C ATOM 1382 C LYS A 86 -2.807 -3.216 -9.003 1.00 0.00 C ATOM 1383 O LYS A 86 -2.109 -3.159 -10.019 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.189 -0.838 -8.405 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.676 -0.870 -8.676 1.00 0.00 C ATOM 1386 CD LYS A 86 -5.131 0.349 -9.443 1.00 0.00 C ATOM 1387 CE LYS A 86 -6.626 0.302 -9.685 1.00 0.00 C ATOM 1388 NZ LYS A 86 -7.042 1.215 -10.785 1.00 0.00 N ATOM 0 H LYS A 86 -0.919 -1.093 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.250 -2.496 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.973 -0.064 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.661 -0.565 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.924 -1.769 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.217 -0.928 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.876 1.251 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.605 0.403 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.922 -0.718 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.150 0.575 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.072 1.152 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.783 2.192 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.562 0.939 -11.665 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.730 -4.144 -8.808 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.943 -5.212 -9.772 1.00 0.00 C ATOM 1404 C GLU A 87 -5.416 -5.363 -10.123 1.00 0.00 C ATOM 1405 O GLU A 87 -5.767 -6.125 -11.027 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.412 -6.540 -9.226 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.346 -7.238 -8.243 1.00 0.00 C ATOM 1408 CD GLU A 87 -4.466 -6.550 -6.908 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -3.466 -5.977 -6.444 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -5.568 -6.595 -6.326 1.00 0.00 O ATOM 0 H GLU A 87 -4.342 -4.180 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.398 -4.945 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.218 -7.211 -10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.456 -6.360 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.337 -7.312 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.992 -8.256 -8.083 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.273 -4.615 -9.438 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.700 -4.879 -9.492 1.00 0.00 C ATOM 1419 C ARG A 88 -8.475 -3.758 -8.800 1.00 0.00 C ATOM 1420 O ARG A 88 -7.885 -2.840 -8.225 1.00 0.00 O ATOM 1421 CB ARG A 88 -7.952 -6.227 -8.803 1.00 0.00 C ATOM 1422 CG ARG A 88 -9.375 -6.754 -8.861 1.00 0.00 C ATOM 1423 CD ARG A 88 -9.488 -8.087 -8.131 1.00 0.00 C ATOM 1424 NE ARG A 88 -8.789 -8.069 -6.840 1.00 0.00 N ATOM 1425 CZ ARG A 88 -9.307 -8.523 -5.696 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -10.567 -8.941 -5.650 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -8.569 -8.529 -4.591 1.00 0.00 N ATOM 0 H ARG A 88 -6.005 -3.829 -8.845 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.043 -4.920 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.293 -6.970 -9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.663 -6.136 -7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.055 -6.030 -8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.680 -6.876 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.540 -8.324 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.075 -8.879 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.845 -7.684 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.144 -8.916 -6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.958 -9.287 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.608 -8.187 -4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.963 -8.875 -3.716 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.791 -3.835 -8.885 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.685 -2.940 -8.165 1.00 0.00 C ATOM 1443 C ILE A 89 -11.826 -3.746 -7.556 1.00 0.00 C ATOM 1444 O ILE A 89 -12.368 -4.651 -8.192 1.00 0.00 O ATOM 1445 CB ILE A 89 -11.260 -1.818 -9.069 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -10.192 -0.762 -9.364 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -12.476 -1.164 -8.426 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -9.711 -0.022 -8.131 1.00 0.00 C ATOM 0 H ILE A 89 -10.275 -4.525 -9.459 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.102 -2.454 -7.383 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.572 -2.276 -10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.340 -1.244 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.593 -0.041 -10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.858 -0.382 -9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.251 -1.914 -8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.191 -0.728 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.956 0.710 -8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.552 0.489 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.279 -0.732 -7.426 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.167 -3.422 -6.327 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.205 -4.126 -5.609 1.00 0.00 C ATOM 1462 C GLU A 90 -14.427 -3.255 -5.400 1.00 0.00 C ATOM 1463 O GLU A 90 -14.448 -2.072 -5.745 1.00 0.00 O ATOM 1464 CB GLU A 90 -12.674 -4.603 -4.269 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.166 -6.027 -4.303 1.00 0.00 C ATOM 1466 CD GLU A 90 -13.286 -7.038 -4.446 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -13.771 -7.240 -5.574 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.685 -7.638 -3.422 1.00 0.00 O ATOM 0 H GLU A 90 -11.733 -2.665 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.505 -4.984 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.867 -3.944 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.465 -4.524 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.469 -6.141 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.609 -6.233 -3.389 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.433 -3.859 -4.810 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.718 -3.218 -4.598 1.00 0.00 C ATOM 1477 C LYS A 91 -16.849 -2.790 -3.146 1.00 0.00 C ATOM 1478 O LYS A 91 -16.034 -3.172 -2.302 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.850 -4.186 -4.925 1.00 0.00 C ATOM 1480 CG LYS A 91 -17.532 -5.166 -6.047 1.00 0.00 C ATOM 1481 CD LYS A 91 -18.518 -6.323 -6.065 1.00 0.00 C ATOM 1482 CE LYS A 91 -18.461 -7.120 -4.767 1.00 0.00 C ATOM 1483 NZ LYS A 91 -19.457 -8.221 -4.734 1.00 0.00 N ATOM 0 H LYS A 91 -15.386 -4.816 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.780 -2.347 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.101 -4.750 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.735 -3.612 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.560 -4.647 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.520 -5.550 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.528 -5.941 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.297 -6.979 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.461 -7.535 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.636 -6.450 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.379 -8.733 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.415 -7.826 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.276 -8.876 -5.521 1.00 0.00 H new ATOM 1497 N LEU A 92 -17.866 -1.999 -2.855 1.00 0.00 N ATOM 1498 CA LEU A 92 -18.166 -1.655 -1.477 1.00 0.00 C ATOM 1499 C LEU A 92 -18.855 -2.826 -0.803 1.00 0.00 C ATOM 1500 O LEU A 92 -19.370 -3.727 -1.472 1.00 0.00 O ATOM 1501 CB LEU A 92 -19.059 -0.424 -1.368 1.00 0.00 C ATOM 1502 CG LEU A 92 -18.340 0.918 -1.439 1.00 0.00 C ATOM 1503 CD1 LEU A 92 -19.321 2.049 -1.181 1.00 0.00 C ATOM 1504 CD2 LEU A 92 -17.199 0.970 -0.437 1.00 0.00 C ATOM 0 H LEU A 92 -18.492 -1.586 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 92 -17.221 -1.426 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -19.799 -0.462 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -19.604 -0.475 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.922 1.034 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.798 3.004 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -20.110 2.025 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.761 1.931 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.699 1.936 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -17.593 0.835 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -16.485 0.176 -0.657 1.00 0.00 H new ATOM 1516 N GLU A 93 -18.856 -2.806 0.509 1.00 0.00 N ATOM 1517 CA GLU A 93 -19.498 -3.834 1.292 1.00 0.00 C ATOM 1518 C GLU A 93 -19.640 -3.341 2.724 1.00 0.00 C ATOM 1519 O GLU A 93 -18.662 -3.459 3.493 1.00 0.00 O ATOM 1520 CB GLU A 93 -18.669 -5.114 1.251 1.00 0.00 C ATOM 1521 CG GLU A 93 -19.435 -6.361 1.654 1.00 0.00 C ATOM 1522 CD GLU A 93 -20.357 -6.859 0.558 1.00 0.00 C ATOM 1523 OE1 GLU A 93 -19.850 -7.411 -0.443 1.00 0.00 O ATOM 1524 OE2 GLU A 93 -21.588 -6.697 0.685 1.00 0.00 O ATOM 1525 OXT GLU A 93 -20.710 -2.798 3.062 1.00 0.00 O ATOM 0 H GLU A 93 -18.411 -2.075 1.064 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.484 -4.052 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.280 -5.250 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.810 -4.999 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.728 -7.149 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.021 -6.150 2.548 1.00 0.00 H new TER 1532 GLU A 93