USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 728 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 111 SER OG : rot 180:sc= -2.42 USER MOD Set 1.2: A 113 ASN : amide:sc= -1.82! K(o=-4.2!,f=-3.6) USER MOD Set 2.1: A 53 SER OG : rot -99:sc= -0.0942 USER MOD Set 2.2: A 65 THR OG1 : rot -179:sc= -0.301 USER MOD Set 3.1: A 37 CYS SG : rot -139:sc= -9.55! USER MOD Set 3.2: A 47 CYS SG : rot -94:sc= -15.3! USER MOD Set 4.1: A 27 GLN : amide:sc= -0.132 X(o=0.0022,f=0.13) USER MOD Set 4.2: A 32 TYR OH : rot 0:sc= 0.134 USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0544 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.18! USER MOD Single : A 10 SER OG : rot 160:sc= -0.832 USER MOD Single : A 11 SER OG : rot -2:sc= 0.868! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 94:sc= -1.99! USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 0.0453 (180deg=-0.0601) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0951 USER MOD Single : A 36 GLN : amide:sc= -15.5! C(o=-15!,f=-18!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.53! C(o=-5.5!,f=-17!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.433 K(o=-0.43,f=-3.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 21:sc= 0.567! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -1.77! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 97:sc= 0.0852 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.37) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -9.55! C(o=-9.5!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.369 15.091 -5.389 1.00 0.00 N ATOM 2 CA ALA A 1 1.732 14.656 -5.623 1.00 0.00 C ATOM 3 C ALA A 1 2.152 13.672 -4.541 1.00 0.00 C ATOM 4 O ALA A 1 1.708 13.774 -3.400 1.00 0.00 O ATOM 5 CB ALA A 1 2.656 15.870 -5.639 1.00 0.00 C ATOM 0 H1 ALA A 1 0.273 16.091 -5.657 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.282 14.516 -5.961 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.137 14.979 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 1 1.798 14.153 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.681 15.545 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.350 16.550 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.598 16.384 -4.680 1.00 0.00 H new ATOM 11 N ALA A 2 3.011 12.716 -4.903 1.00 0.00 N ATOM 12 CA ALA A 2 3.485 11.719 -3.965 1.00 0.00 C ATOM 13 C ALA A 2 4.864 12.108 -3.451 1.00 0.00 C ATOM 14 O ALA A 2 5.758 12.412 -4.238 1.00 0.00 O ATOM 15 CB ALA A 2 3.528 10.356 -4.650 1.00 0.00 C ATOM 0 H ALA A 2 3.389 12.619 -5.846 1.00 0.00 H new ATOM 0 HA ALA A 2 2.805 11.662 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.885 9.605 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.528 10.088 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.202 10.400 -5.505 1.00 0.00 H new ATOM 21 N PRO A 3 5.034 12.099 -2.127 1.00 0.00 N ATOM 22 CA PRO A 3 6.273 12.438 -1.462 1.00 0.00 C ATOM 23 C PRO A 3 7.288 11.323 -1.672 1.00 0.00 C ATOM 24 O PRO A 3 6.998 10.337 -2.346 1.00 0.00 O ATOM 25 CB PRO A 3 5.902 12.570 0.014 1.00 0.00 C ATOM 26 CG PRO A 3 4.736 11.593 0.158 1.00 0.00 C ATOM 27 CD PRO A 3 4.005 11.746 -1.174 1.00 0.00 C ATOM 0 HA PRO A 3 6.723 13.354 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.735 12.305 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.610 13.589 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.081 10.571 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.096 11.848 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.505 10.820 -1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.238 12.518 -1.117 1.00 0.00 H new ATOM 35 N THR A 4 8.480 11.480 -1.093 1.00 0.00 N ATOM 36 CA THR A 4 9.526 10.486 -1.222 1.00 0.00 C ATOM 37 C THR A 4 9.577 9.620 0.028 1.00 0.00 C ATOM 38 O THR A 4 9.910 10.103 1.108 1.00 0.00 O ATOM 39 CB THR A 4 10.864 11.184 -1.450 1.00 0.00 C ATOM 40 OG1 THR A 4 11.647 10.420 -2.341 1.00 0.00 O ATOM 41 CG2 THR A 4 11.599 11.324 -0.120 1.00 0.00 C ATOM 0 H THR A 4 8.737 12.291 -0.531 1.00 0.00 H new ATOM 0 HA THR A 4 9.315 9.842 -2.076 1.00 0.00 H new ATOM 0 HB THR A 4 10.690 12.173 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.506 10.869 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.555 11.822 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.995 11.914 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.773 10.336 0.305 1.00 0.00 H new ATOM 49 N ALA A 5 9.244 8.336 -0.121 1.00 0.00 N ATOM 50 CA ALA A 5 9.251 7.410 0.993 1.00 0.00 C ATOM 51 C ALA A 5 10.091 6.189 0.644 1.00 0.00 C ATOM 52 O ALA A 5 9.987 5.657 -0.459 1.00 0.00 O ATOM 53 CB ALA A 5 7.818 7.003 1.325 1.00 0.00 C ATOM 0 H ALA A 5 8.966 7.921 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 5 9.690 7.891 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.823 6.306 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.241 7.888 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.366 6.523 0.457 1.00 0.00 H new ATOM 59 N THR A 6 10.926 5.746 1.586 1.00 0.00 N ATOM 60 CA THR A 6 11.775 4.593 1.369 1.00 0.00 C ATOM 61 C THR A 6 11.154 3.362 2.013 1.00 0.00 C ATOM 62 O THR A 6 11.015 3.299 3.233 1.00 0.00 O ATOM 63 CB THR A 6 13.160 4.865 1.950 1.00 0.00 C ATOM 64 OG1 THR A 6 13.032 5.622 3.133 1.00 0.00 O ATOM 65 CG2 THR A 6 13.993 5.644 0.936 1.00 0.00 C ATOM 0 H THR A 6 11.026 6.176 2.506 1.00 0.00 H new ATOM 0 HA THR A 6 11.873 4.407 0.299 1.00 0.00 H new ATOM 0 HB THR A 6 13.652 3.919 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.921 5.796 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.982 5.839 1.350 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.091 5.060 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.501 6.590 0.711 1.00 0.00 H new ATOM 73 N VAL A 7 10.780 2.381 1.189 1.00 0.00 N ATOM 74 CA VAL A 7 10.176 1.158 1.679 1.00 0.00 C ATOM 75 C VAL A 7 11.109 -0.016 1.421 1.00 0.00 C ATOM 76 O VAL A 7 11.837 -0.027 0.431 1.00 0.00 O ATOM 77 CB VAL A 7 8.832 0.943 0.989 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.208 2.296 0.657 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.042 0.150 -0.298 1.00 0.00 C ATOM 0 H VAL A 7 10.889 2.418 0.176 1.00 0.00 H new ATOM 0 HA VAL A 7 10.009 1.235 2.753 1.00 0.00 H new ATOM 0 HB VAL A 7 8.167 0.390 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.248 2.143 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.058 2.863 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.872 2.850 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.082 -0.004 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.707 0.703 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.487 -0.816 -0.061 1.00 0.00 H new ATOM 89 N THR A 8 11.086 -1.008 2.315 1.00 0.00 N ATOM 90 CA THR A 8 11.929 -2.178 2.175 1.00 0.00 C ATOM 91 C THR A 8 11.459 -3.017 0.996 1.00 0.00 C ATOM 92 O THR A 8 10.371 -2.798 0.468 1.00 0.00 O ATOM 93 CB THR A 8 11.888 -2.990 3.467 1.00 0.00 C ATOM 94 OG1 THR A 8 13.187 -3.438 3.781 1.00 0.00 O ATOM 95 CG2 THR A 8 10.966 -4.192 3.283 1.00 0.00 C ATOM 0 H THR A 8 10.489 -1.016 3.142 1.00 0.00 H new ATOM 0 HA THR A 8 12.957 -1.869 1.987 1.00 0.00 H new ATOM 0 HB THR A 8 11.513 -2.365 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.162 -3.958 4.611 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.936 -4.772 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.961 -3.846 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.341 -4.817 2.473 1.00 0.00 H new ATOM 103 N PRO A 9 12.285 -3.982 0.583 1.00 0.00 N ATOM 104 CA PRO A 9 12.006 -4.878 -0.519 1.00 0.00 C ATOM 105 C PRO A 9 10.933 -5.875 -0.108 1.00 0.00 C ATOM 106 O PRO A 9 11.127 -6.650 0.826 1.00 0.00 O ATOM 107 CB PRO A 9 13.332 -5.583 -0.795 1.00 0.00 C ATOM 108 CG PRO A 9 13.996 -5.606 0.582 1.00 0.00 C ATOM 109 CD PRO A 9 13.571 -4.267 1.180 1.00 0.00 C ATOM 0 HA PRO A 9 11.636 -4.360 -1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.181 -6.588 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.934 -5.042 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.651 -6.446 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.080 -5.691 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.498 -4.325 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.295 -3.485 0.951 1.00 0.00 H new ATOM 117 N SER A 10 9.796 -5.853 -0.807 1.00 0.00 N ATOM 118 CA SER A 10 8.700 -6.753 -0.510 1.00 0.00 C ATOM 119 C SER A 10 8.289 -7.501 -1.771 1.00 0.00 C ATOM 120 O SER A 10 7.229 -8.122 -1.810 1.00 0.00 O ATOM 121 CB SER A 10 7.526 -5.956 0.052 1.00 0.00 C ATOM 122 OG SER A 10 7.797 -4.577 -0.062 1.00 0.00 O ATOM 0 H SER A 10 9.618 -5.216 -1.584 1.00 0.00 H new ATOM 0 HA SER A 10 9.017 -7.483 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.612 -6.204 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.360 -6.220 1.096 1.00 0.00 H new ATOM 0 HG SER A 10 6.958 -4.073 -0.012 1.00 0.00 H new ATOM 128 N SER A 11 9.134 -7.442 -2.803 1.00 0.00 N ATOM 129 CA SER A 11 8.856 -8.114 -4.057 1.00 0.00 C ATOM 130 C SER A 11 9.422 -9.526 -4.022 1.00 0.00 C ATOM 131 O SER A 11 10.635 -9.710 -3.949 1.00 0.00 O ATOM 132 CB SER A 11 9.464 -7.316 -5.206 1.00 0.00 C ATOM 133 OG SER A 11 10.859 -7.519 -5.233 1.00 0.00 O ATOM 0 H SER A 11 10.017 -6.932 -2.786 1.00 0.00 H new ATOM 0 HA SER A 11 7.779 -8.180 -4.208 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.022 -7.627 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.242 -6.256 -5.084 1.00 0.00 H new ATOM 0 HG SER A 11 11.119 -8.100 -4.488 1.00 0.00 H new ATOM 139 N GLY A 12 8.540 -10.527 -4.075 1.00 0.00 N ATOM 140 CA GLY A 12 8.960 -11.914 -4.050 1.00 0.00 C ATOM 141 C GLY A 12 9.025 -12.420 -2.616 1.00 0.00 C ATOM 142 O GLY A 12 9.699 -13.408 -2.333 1.00 0.00 O ATOM 0 H GLY A 12 7.531 -10.394 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.263 -12.523 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.937 -12.014 -4.523 1.00 0.00 H new ATOM 146 N LEU A 13 8.322 -11.738 -1.709 1.00 0.00 N ATOM 147 CA LEU A 13 8.302 -12.119 -0.311 1.00 0.00 C ATOM 148 C LEU A 13 6.957 -12.739 0.037 1.00 0.00 C ATOM 149 O LEU A 13 5.912 -12.209 -0.333 1.00 0.00 O ATOM 150 CB LEU A 13 8.571 -10.891 0.555 1.00 0.00 C ATOM 151 CG LEU A 13 9.606 -10.004 -0.130 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.352 -9.187 0.921 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.598 -10.876 -0.895 1.00 0.00 C ATOM 0 H LEU A 13 7.759 -10.916 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 13 9.080 -12.859 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.647 -10.335 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.931 -11.197 1.537 1.00 0.00 H new ATOM 0 HG LEU A 13 9.104 -9.330 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.092 -8.553 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.644 -8.563 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.854 -9.860 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.337 -10.242 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.100 -11.550 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.066 -11.459 -1.646 1.00 0.00 H new ATOM 165 N SER A 14 6.984 -13.867 0.751 1.00 0.00 N ATOM 166 CA SER A 14 5.769 -14.551 1.145 1.00 0.00 C ATOM 167 C SER A 14 5.264 -13.987 2.466 1.00 0.00 C ATOM 168 O SER A 14 5.937 -13.172 3.094 1.00 0.00 O ATOM 169 CB SER A 14 6.045 -16.047 1.267 1.00 0.00 C ATOM 170 OG SER A 14 5.280 -16.745 0.311 1.00 0.00 O ATOM 0 H SER A 14 7.842 -14.320 1.065 1.00 0.00 H new ATOM 0 HA SER A 14 4.999 -14.397 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.106 -16.246 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.797 -16.393 2.270 1.00 0.00 H new ATOM 0 HG SER A 14 5.458 -17.706 0.388 1.00 0.00 H new ATOM 176 N ASP A 15 4.074 -14.423 2.887 1.00 0.00 N ATOM 177 CA ASP A 15 3.486 -13.961 4.127 1.00 0.00 C ATOM 178 C ASP A 15 4.537 -13.965 5.229 1.00 0.00 C ATOM 179 O ASP A 15 5.481 -14.750 5.185 1.00 0.00 O ATOM 180 CB ASP A 15 2.310 -14.860 4.498 1.00 0.00 C ATOM 181 CG ASP A 15 1.551 -14.299 5.692 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.073 -14.450 6.818 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.464 -13.728 5.456 1.00 0.00 O ATOM 0 H ASP A 15 3.504 -15.098 2.378 1.00 0.00 H new ATOM 0 HA ASP A 15 3.121 -12.941 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.637 -14.954 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.672 -15.861 4.730 1.00 0.00 H new ATOM 188 N GLY A 16 4.372 -13.085 6.219 1.00 0.00 N ATOM 189 CA GLY A 16 5.308 -12.996 7.321 1.00 0.00 C ATOM 190 C GLY A 16 6.341 -11.911 7.051 1.00 0.00 C ATOM 191 O GLY A 16 6.939 -11.373 7.980 1.00 0.00 O ATOM 0 H GLY A 16 3.595 -12.427 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.773 -12.776 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.806 -13.955 7.462 1.00 0.00 H new ATOM 195 N THR A 17 6.550 -11.589 5.772 1.00 0.00 N ATOM 196 CA THR A 17 7.508 -10.571 5.390 1.00 0.00 C ATOM 197 C THR A 17 7.039 -9.208 5.879 1.00 0.00 C ATOM 198 O THR A 17 5.839 -8.966 5.995 1.00 0.00 O ATOM 199 CB THR A 17 7.673 -10.573 3.873 1.00 0.00 C ATOM 200 OG1 THR A 17 8.495 -11.653 3.492 1.00 0.00 O ATOM 201 CG2 THR A 17 8.318 -9.263 3.430 1.00 0.00 C ATOM 0 H THR A 17 6.063 -12.024 4.989 1.00 0.00 H new ATOM 0 HA THR A 17 8.473 -10.786 5.849 1.00 0.00 H new ATOM 0 HB THR A 17 6.696 -10.675 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.936 -12.425 3.264 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.436 -9.264 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.684 -8.427 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.295 -9.161 3.901 1.00 0.00 H new ATOM 209 N VAL A 18 7.990 -8.316 6.166 1.00 0.00 N ATOM 210 CA VAL A 18 7.673 -6.985 6.640 1.00 0.00 C ATOM 211 C VAL A 18 8.247 -5.948 5.686 1.00 0.00 C ATOM 212 O VAL A 18 9.451 -5.928 5.439 1.00 0.00 O ATOM 213 CB VAL A 18 8.237 -6.798 8.046 1.00 0.00 C ATOM 214 CG1 VAL A 18 7.110 -6.922 9.067 1.00 0.00 C ATOM 215 CG2 VAL A 18 9.290 -7.868 8.317 1.00 0.00 C ATOM 0 H VAL A 18 8.989 -8.502 6.075 1.00 0.00 H new ATOM 0 HA VAL A 18 6.591 -6.856 6.677 1.00 0.00 H new ATOM 0 HB VAL A 18 8.693 -5.811 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.512 -6.789 10.071 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.358 -6.158 8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.654 -7.909 8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.693 -7.735 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.835 -8.855 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.095 -7.779 7.588 1.00 0.00 H new ATOM 225 N VAL A 19 7.382 -5.084 5.149 1.00 0.00 N ATOM 226 CA VAL A 19 7.807 -4.050 4.226 1.00 0.00 C ATOM 227 C VAL A 19 7.803 -2.700 4.929 1.00 0.00 C ATOM 228 O VAL A 19 6.762 -2.244 5.397 1.00 0.00 O ATOM 229 CB VAL A 19 6.875 -4.034 3.018 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.663 -4.919 3.298 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.410 -2.604 2.754 1.00 0.00 C ATOM 0 H VAL A 19 6.381 -5.087 5.344 1.00 0.00 H new ATOM 0 HA VAL A 19 8.821 -4.256 3.883 1.00 0.00 H new ATOM 0 HB VAL A 19 7.406 -4.411 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.997 -4.908 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.994 -5.940 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.131 -4.542 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.744 -2.591 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.879 -2.227 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.275 -1.971 2.554 1.00 0.00 H new ATOM 241 N LYS A 20 8.973 -2.060 5.002 1.00 0.00 N ATOM 242 CA LYS A 20 9.096 -0.767 5.646 1.00 0.00 C ATOM 243 C LYS A 20 8.620 0.329 4.703 1.00 0.00 C ATOM 244 O LYS A 20 8.733 0.197 3.486 1.00 0.00 O ATOM 245 CB LYS A 20 10.549 -0.539 6.051 1.00 0.00 C ATOM 246 CG LYS A 20 10.595 0.155 7.410 1.00 0.00 C ATOM 247 CD LYS A 20 10.464 1.663 7.217 1.00 0.00 C ATOM 248 CE LYS A 20 11.842 2.311 7.317 1.00 0.00 C ATOM 249 NZ LYS A 20 12.495 2.369 6.000 1.00 0.00 N ATOM 0 H LYS A 20 9.846 -2.424 4.620 1.00 0.00 H new ATOM 0 HA LYS A 20 8.474 -0.742 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.078 -1.491 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.055 0.070 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.789 -0.212 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.531 -0.077 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.019 1.879 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.798 2.081 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.746 3.318 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.464 1.745 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.300 3.027 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.835 1.421 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.813 2.700 5.288 1.00 0.00 H new ATOM 263 N VAL A 21 8.087 1.414 5.269 1.00 0.00 N ATOM 264 CA VAL A 21 7.597 2.526 4.479 1.00 0.00 C ATOM 265 C VAL A 21 7.919 3.837 5.181 1.00 0.00 C ATOM 266 O VAL A 21 7.333 4.150 6.215 1.00 0.00 O ATOM 267 CB VAL A 21 6.093 2.378 4.272 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.352 3.029 5.437 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.689 3.061 2.968 1.00 0.00 C ATOM 0 H VAL A 21 7.987 1.538 6.276 1.00 0.00 H new ATOM 0 HA VAL A 21 8.085 2.529 3.504 1.00 0.00 H new ATOM 0 HB VAL A 21 5.836 1.320 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.277 2.923 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.640 2.542 6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.609 4.087 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.614 2.955 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.946 4.119 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.217 2.597 2.135 1.00 0.00 H new ATOM 279 N ALA A 22 8.854 4.605 4.616 1.00 0.00 N ATOM 280 CA ALA A 22 9.249 5.876 5.189 1.00 0.00 C ATOM 281 C ALA A 22 8.999 6.993 4.187 1.00 0.00 C ATOM 282 O ALA A 22 9.600 7.015 3.116 1.00 0.00 O ATOM 283 CB ALA A 22 10.723 5.820 5.581 1.00 0.00 C ATOM 0 H ALA A 22 9.348 4.359 3.758 1.00 0.00 H new ATOM 0 HA ALA A 22 8.657 6.077 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.021 6.776 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.875 5.028 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.327 5.616 4.697 1.00 0.00 H new ATOM 289 N GLY A 23 8.108 7.924 4.537 1.00 0.00 N ATOM 290 CA GLY A 23 7.787 9.036 3.664 1.00 0.00 C ATOM 291 C GLY A 23 8.784 10.169 3.865 1.00 0.00 C ATOM 292 O GLY A 23 9.250 10.399 4.978 1.00 0.00 O ATOM 0 H GLY A 23 7.600 7.922 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.803 8.708 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.777 9.390 3.871 1.00 0.00 H new ATOM 296 N ALA A 24 9.110 10.877 2.781 1.00 0.00 N ATOM 297 CA ALA A 24 10.048 11.980 2.842 1.00 0.00 C ATOM 298 C ALA A 24 9.626 13.070 1.868 1.00 0.00 C ATOM 299 O ALA A 24 9.714 12.890 0.655 1.00 0.00 O ATOM 300 CB ALA A 24 11.449 11.472 2.512 1.00 0.00 C ATOM 0 H ALA A 24 8.732 10.698 1.851 1.00 0.00 H new ATOM 0 HA ALA A 24 10.056 12.402 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.156 12.300 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.738 10.708 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.454 11.045 1.509 1.00 0.00 H new ATOM 306 N GLY A 25 9.166 14.205 2.400 1.00 0.00 N ATOM 307 CA GLY A 25 8.735 15.314 1.573 1.00 0.00 C ATOM 308 C GLY A 25 7.214 15.377 1.526 1.00 0.00 C ATOM 309 O GLY A 25 6.644 16.056 0.676 1.00 0.00 O ATOM 0 H GLY A 25 9.086 14.372 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.133 16.248 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.133 15.201 0.564 1.00 0.00 H new ATOM 313 N LEU A 26 6.558 14.664 2.445 1.00 0.00 N ATOM 314 CA LEU A 26 5.110 14.642 2.506 1.00 0.00 C ATOM 315 C LEU A 26 4.614 15.754 3.418 1.00 0.00 C ATOM 316 O LEU A 26 5.393 16.341 4.166 1.00 0.00 O ATOM 317 CB LEU A 26 4.644 13.280 3.012 1.00 0.00 C ATOM 318 CG LEU A 26 5.821 12.308 3.015 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.617 12.478 4.306 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.299 10.877 2.924 1.00 0.00 C ATOM 0 H LEU A 26 7.017 14.095 3.156 1.00 0.00 H new ATOM 0 HA LEU A 26 4.698 14.806 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.234 13.375 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.845 12.898 2.377 1.00 0.00 H new ATOM 0 HG LEU A 26 6.465 12.515 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.458 11.784 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.990 13.500 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.973 12.271 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.139 10.182 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.655 10.670 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.730 10.755 2.002 1.00 0.00 H new ATOM 332 N GLN A 27 3.312 16.045 3.353 1.00 0.00 N ATOM 333 CA GLN A 27 2.721 17.085 4.171 1.00 0.00 C ATOM 334 C GLN A 27 3.125 16.891 5.626 1.00 0.00 C ATOM 335 O GLN A 27 2.859 15.844 6.212 1.00 0.00 O ATOM 336 CB GLN A 27 1.202 17.044 4.023 1.00 0.00 C ATOM 337 CG GLN A 27 0.803 17.686 2.698 1.00 0.00 C ATOM 338 CD GLN A 27 -0.677 17.470 2.414 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.421 18.430 2.221 1.00 0.00 O ATOM 340 NE2 GLN A 27 -1.103 16.205 2.389 1.00 0.00 N ATOM 0 H GLN A 27 2.653 15.568 2.738 1.00 0.00 H new ATOM 0 HA GLN A 27 3.081 18.060 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.850 16.013 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.731 17.572 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.020 18.754 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.398 17.261 1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.446 15.442 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.085 16.001 2.204 1.00 0.00 H new ATOM 349 N ALA A 28 3.771 17.905 6.207 1.00 0.00 N ATOM 350 CA ALA A 28 4.209 17.842 7.587 1.00 0.00 C ATOM 351 C ALA A 28 3.010 17.979 8.515 1.00 0.00 C ATOM 352 O ALA A 28 2.192 18.880 8.346 1.00 0.00 O ATOM 353 CB ALA A 28 5.225 18.949 7.848 1.00 0.00 C ATOM 0 H ALA A 28 3.999 18.779 5.734 1.00 0.00 H new ATOM 0 HA ALA A 28 4.683 16.880 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.555 18.903 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.083 18.819 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.764 19.918 7.657 1.00 0.00 H new ATOM 359 N GLY A 29 2.907 17.082 9.499 1.00 0.00 N ATOM 360 CA GLY A 29 1.809 17.112 10.444 1.00 0.00 C ATOM 361 C GLY A 29 0.543 16.564 9.799 1.00 0.00 C ATOM 362 O GLY A 29 -0.535 16.633 10.385 1.00 0.00 O ATOM 0 H GLY A 29 3.576 16.328 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.062 16.522 11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.640 18.134 10.783 1.00 0.00 H new ATOM 366 N THR A 30 0.676 16.019 8.588 1.00 0.00 N ATOM 367 CA THR A 30 -0.457 15.464 7.875 1.00 0.00 C ATOM 368 C THR A 30 -0.573 13.975 8.166 1.00 0.00 C ATOM 369 O THR A 30 0.434 13.293 8.344 1.00 0.00 O ATOM 370 CB THR A 30 -0.285 15.711 6.379 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.259 16.630 5.939 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.450 14.395 5.624 1.00 0.00 C ATOM 0 H THR A 30 1.562 15.954 8.087 1.00 0.00 H new ATOM 0 HA THR A 30 -1.374 15.950 8.208 1.00 0.00 H new ATOM 0 HB THR A 30 0.709 16.117 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.365 16.554 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.327 14.571 4.555 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.303 13.684 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.444 13.989 5.813 1.00 0.00 H new ATOM 380 N ALA A 31 -1.808 13.470 8.212 1.00 0.00 N ATOM 381 CA ALA A 31 -2.052 12.067 8.481 1.00 0.00 C ATOM 382 C ALA A 31 -2.058 11.286 7.175 1.00 0.00 C ATOM 383 O ALA A 31 -2.396 11.829 6.126 1.00 0.00 O ATOM 384 CB ALA A 31 -3.383 11.913 9.211 1.00 0.00 C ATOM 0 H ALA A 31 -2.653 14.022 8.064 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.259 11.670 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.567 10.858 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.348 12.462 10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.187 12.309 8.590 1.00 0.00 H new ATOM 390 N TYR A 32 -1.684 10.006 7.241 1.00 0.00 N ATOM 391 CA TYR A 32 -1.648 9.160 6.065 1.00 0.00 C ATOM 392 C TYR A 32 -2.201 7.783 6.402 1.00 0.00 C ATOM 393 O TYR A 32 -2.044 7.307 7.525 1.00 0.00 O ATOM 394 CB TYR A 32 -0.213 9.058 5.558 1.00 0.00 C ATOM 395 CG TYR A 32 0.283 10.319 4.891 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.346 10.791 3.733 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.371 11.015 5.431 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.114 11.960 3.114 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.830 12.184 4.812 1.00 0.00 C ATOM 400 CZ TYR A 32 1.202 12.656 3.654 1.00 0.00 C ATOM 401 OH TYR A 32 1.650 13.795 3.051 1.00 0.00 O ATOM 0 H TYR A 32 -1.403 9.540 8.103 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.267 9.595 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.443 8.817 6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.144 8.231 4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.186 10.254 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.856 10.650 6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.371 12.324 2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.669 12.722 5.228 1.00 0.00 H new ATOM 0 HH TYR A 32 1.104 13.982 2.259 1.00 0.00 H new ATOM 411 N ASP A 33 -2.849 7.142 5.427 1.00 0.00 N ATOM 412 CA ASP A 33 -3.421 5.826 5.625 1.00 0.00 C ATOM 413 C ASP A 33 -2.691 4.811 4.757 1.00 0.00 C ATOM 414 O ASP A 33 -2.776 4.865 3.532 1.00 0.00 O ATOM 415 CB ASP A 33 -4.907 5.861 5.282 1.00 0.00 C ATOM 416 CG ASP A 33 -5.403 4.482 4.871 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.066 3.519 5.592 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.111 4.417 3.842 1.00 0.00 O ATOM 0 H ASP A 33 -2.986 7.523 4.491 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.309 5.530 6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.475 6.214 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.081 6.570 4.473 1.00 0.00 H new ATOM 423 N VAL A 34 -1.972 3.884 5.395 1.00 0.00 N ATOM 424 CA VAL A 34 -1.232 2.864 4.680 1.00 0.00 C ATOM 425 C VAL A 34 -2.051 1.583 4.616 1.00 0.00 C ATOM 426 O VAL A 34 -2.813 1.285 5.533 1.00 0.00 O ATOM 427 CB VAL A 34 0.102 2.620 5.379 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.163 2.265 4.342 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.523 3.882 6.127 1.00 0.00 C ATOM 0 H VAL A 34 -1.892 3.827 6.410 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.036 3.198 3.661 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.004 1.797 6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.116 2.091 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.863 1.363 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.269 3.087 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.476 3.708 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.629 4.705 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.235 4.135 6.869 1.00 0.00 H new ATOM 439 N GLY A 35 -1.893 0.823 3.530 1.00 0.00 N ATOM 440 CA GLY A 35 -2.619 -0.419 3.358 1.00 0.00 C ATOM 441 C GLY A 35 -2.070 -1.191 2.166 1.00 0.00 C ATOM 442 O GLY A 35 -1.368 -0.628 1.329 1.00 0.00 O ATOM 0 H GLY A 35 -1.265 1.054 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.537 -1.024 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.679 -0.211 3.209 1.00 0.00 H new ATOM 446 N GLN A 36 -2.393 -2.484 2.091 1.00 0.00 N ATOM 447 CA GLN A 36 -1.931 -3.325 1.005 1.00 0.00 C ATOM 448 C GLN A 36 -3.081 -3.615 0.051 1.00 0.00 C ATOM 449 O GLN A 36 -4.029 -4.310 0.410 1.00 0.00 O ATOM 450 CB GLN A 36 -1.361 -4.621 1.574 1.00 0.00 C ATOM 451 CG GLN A 36 -0.387 -5.233 0.572 1.00 0.00 C ATOM 452 CD GLN A 36 -0.315 -6.744 0.739 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.453 -7.244 1.558 1.00 0.00 O ATOM 454 NE2 GLN A 36 -1.118 -7.472 -0.042 1.00 0.00 N ATOM 0 H GLN A 36 -2.975 -2.965 2.776 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.146 -2.810 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.852 -4.423 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.168 -5.322 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.702 -4.990 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.604 -4.800 0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.738 -7.010 -0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.111 -8.490 0.027 1.00 0.00 H new ATOM 463 N CYS A 37 -2.996 -3.080 -1.169 1.00 0.00 N ATOM 464 CA CYS A 37 -4.026 -3.283 -2.168 1.00 0.00 C ATOM 465 C CYS A 37 -3.471 -4.108 -3.320 1.00 0.00 C ATOM 466 O CYS A 37 -2.294 -3.997 -3.654 1.00 0.00 O ATOM 467 CB CYS A 37 -4.526 -1.929 -2.664 1.00 0.00 C ATOM 468 SG CYS A 37 -5.203 -0.872 -1.361 1.00 0.00 S ATOM 0 H CYS A 37 -2.217 -2.501 -1.482 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.863 -3.826 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.703 -1.406 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.293 -2.092 -3.421 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.271 -0.274 -1.798 1.00 0.00 H new ATOM 473 N ALA A 38 -4.322 -4.939 -3.926 1.00 0.00 N ATOM 474 CA ALA A 38 -3.913 -5.779 -5.034 1.00 0.00 C ATOM 475 C ALA A 38 -4.798 -5.505 -6.242 1.00 0.00 C ATOM 476 O ALA A 38 -6.022 -5.525 -6.134 1.00 0.00 O ATOM 477 CB ALA A 38 -4.001 -7.245 -4.619 1.00 0.00 C ATOM 0 H ALA A 38 -5.301 -5.042 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.882 -5.554 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.694 -7.878 -5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.345 -7.422 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.028 -7.484 -4.342 1.00 0.00 H new ATOM 483 N TRP A 39 -4.176 -5.249 -7.395 1.00 0.00 N ATOM 484 CA TRP A 39 -4.913 -4.976 -8.612 1.00 0.00 C ATOM 485 C TRP A 39 -5.690 -6.213 -9.037 1.00 0.00 C ATOM 486 O TRP A 39 -5.104 -7.267 -9.272 1.00 0.00 O ATOM 487 CB TRP A 39 -3.941 -4.545 -9.708 1.00 0.00 C ATOM 488 CG TRP A 39 -4.337 -4.944 -11.093 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.607 -5.073 -11.535 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.484 -5.271 -12.232 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.599 -5.455 -12.860 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.312 -5.592 -13.341 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.095 -5.330 -12.441 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -3.793 -5.951 -14.588 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.563 -5.689 -13.688 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.407 -6.000 -14.761 1.00 0.00 C ATOM 0 H TRP A 39 -3.162 -5.227 -7.502 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.625 -4.169 -8.436 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.836 -3.461 -9.674 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.960 -4.968 -9.490 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.493 -4.903 -10.941 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.439 -5.616 -13.416 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.426 -5.095 -11.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.455 -6.188 -15.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.492 -5.726 -13.822 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.989 -6.276 -15.718 1.00 0.00 H new ATOM 507 N VAL A 40 -7.015 -6.083 -9.135 1.00 0.00 N ATOM 508 CA VAL A 40 -7.866 -7.187 -9.529 1.00 0.00 C ATOM 509 C VAL A 40 -8.255 -7.039 -10.993 1.00 0.00 C ATOM 510 O VAL A 40 -8.237 -8.012 -11.744 1.00 0.00 O ATOM 511 CB VAL A 40 -9.106 -7.217 -8.640 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.754 -7.852 -7.298 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.602 -5.792 -8.413 1.00 0.00 C ATOM 0 H VAL A 40 -7.516 -5.215 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.328 -8.127 -9.409 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.888 -7.802 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.639 -7.874 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.398 -8.870 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.973 -7.267 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.488 -5.812 -7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.820 -5.208 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.853 -5.337 -9.371 1.00 0.00 H new ATOM 523 N ASP A 41 -8.609 -5.817 -11.398 1.00 0.00 N ATOM 524 CA ASP A 41 -9.001 -5.550 -12.768 1.00 0.00 C ATOM 525 C ASP A 41 -8.406 -4.225 -13.224 1.00 0.00 C ATOM 526 O ASP A 41 -7.721 -3.553 -12.456 1.00 0.00 O ATOM 527 CB ASP A 41 -10.523 -5.521 -12.864 1.00 0.00 C ATOM 528 CG ASP A 41 -11.042 -6.725 -13.636 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.316 -7.742 -13.656 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.156 -6.606 -14.192 1.00 0.00 O ATOM 0 H ASP A 41 -8.629 -5.000 -10.788 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.625 -6.339 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.954 -5.512 -11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.843 -4.603 -13.357 1.00 0.00 H new ATOM 535 N THR A 42 -8.668 -3.850 -14.478 1.00 0.00 N ATOM 536 CA THR A 42 -8.157 -2.609 -15.024 1.00 0.00 C ATOM 537 C THR A 42 -8.718 -1.429 -14.243 1.00 0.00 C ATOM 538 O THR A 42 -9.916 -1.160 -14.295 1.00 0.00 O ATOM 539 CB THR A 42 -8.534 -2.509 -16.499 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.859 -3.512 -17.225 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.136 -1.137 -17.035 1.00 0.00 C ATOM 0 H THR A 42 -9.233 -4.395 -15.129 1.00 0.00 H new ATOM 0 HA THR A 42 -7.071 -2.591 -14.938 1.00 0.00 H new ATOM 0 HB THR A 42 -9.610 -2.643 -16.609 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.102 -3.450 -18.172 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.405 -1.066 -18.089 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.658 -0.362 -16.474 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.060 -1.002 -16.926 1.00 0.00 H new ATOM 549 N GLY A 43 -7.848 -0.723 -13.517 1.00 0.00 N ATOM 550 CA GLY A 43 -8.264 0.422 -12.732 1.00 0.00 C ATOM 551 C GLY A 43 -9.074 -0.031 -11.526 1.00 0.00 C ATOM 552 O GLY A 43 -9.635 0.792 -10.806 1.00 0.00 O ATOM 0 H GLY A 43 -6.851 -0.932 -13.462 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.389 0.982 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.860 1.096 -13.347 1.00 0.00 H new ATOM 556 N VAL A 44 -9.133 -1.347 -11.306 1.00 0.00 N ATOM 557 CA VAL A 44 -9.872 -1.904 -10.191 1.00 0.00 C ATOM 558 C VAL A 44 -8.942 -2.736 -9.321 1.00 0.00 C ATOM 559 O VAL A 44 -8.509 -3.813 -9.725 1.00 0.00 O ATOM 560 CB VAL A 44 -11.024 -2.755 -10.719 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.720 -3.449 -9.553 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.023 -1.861 -11.449 1.00 0.00 C ATOM 0 H VAL A 44 -8.672 -2.042 -11.893 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.282 -1.098 -9.583 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.636 -3.505 -11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.543 -4.057 -9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.007 -4.087 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.109 -2.700 -8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.846 -2.468 -11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.411 -1.111 -10.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.526 -1.365 -12.283 1.00 0.00 H new ATOM 572 N LEU A 45 -8.634 -2.234 -8.123 1.00 0.00 N ATOM 573 CA LEU A 45 -7.758 -2.932 -7.203 1.00 0.00 C ATOM 574 C LEU A 45 -8.458 -3.118 -5.864 1.00 0.00 C ATOM 575 O LEU A 45 -9.108 -2.201 -5.368 1.00 0.00 O ATOM 576 CB LEU A 45 -6.465 -2.139 -7.032 1.00 0.00 C ATOM 577 CG LEU A 45 -6.625 -1.148 -5.882 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.250 -0.771 -5.340 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.335 0.105 -6.386 1.00 0.00 C ATOM 0 H LEU A 45 -8.984 -1.342 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.515 -3.916 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.635 -2.816 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.227 -1.608 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.215 -1.605 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.364 -0.063 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.743 -1.666 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.659 -0.314 -6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.450 0.813 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.745 0.563 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.318 -0.164 -6.773 1.00 0.00 H new ATOM 591 N ALA A 46 -8.322 -4.311 -5.279 1.00 0.00 N ATOM 592 CA ALA A 46 -8.941 -4.611 -4.004 1.00 0.00 C ATOM 593 C ALA A 46 -8.014 -4.197 -2.871 1.00 0.00 C ATOM 594 O ALA A 46 -6.802 -4.107 -3.059 1.00 0.00 O ATOM 595 CB ALA A 46 -9.252 -6.103 -3.930 1.00 0.00 C ATOM 0 H ALA A 46 -7.785 -5.081 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.872 -4.053 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.718 -6.330 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.933 -6.373 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.328 -6.673 -4.029 1.00 0.00 H new ATOM 601 N CYS A 47 -8.586 -3.944 -1.691 1.00 0.00 N ATOM 602 CA CYS A 47 -7.810 -3.541 -0.536 1.00 0.00 C ATOM 603 C CYS A 47 -8.029 -4.529 0.601 1.00 0.00 C ATOM 604 O CYS A 47 -9.088 -5.145 0.695 1.00 0.00 O ATOM 605 CB CYS A 47 -8.221 -2.132 -0.115 1.00 0.00 C ATOM 606 SG CYS A 47 -7.578 -0.826 -1.191 1.00 0.00 S ATOM 0 H CYS A 47 -9.589 -4.014 -1.519 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.750 -3.536 -0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.309 -2.072 -0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.876 -1.953 0.903 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.462 -0.372 -0.703 1.00 0.00 H new ATOM 611 N ASN A 48 -7.024 -4.679 1.467 1.00 0.00 N ATOM 612 CA ASN A 48 -7.113 -5.589 2.590 1.00 0.00 C ATOM 613 C ASN A 48 -6.971 -4.819 3.895 1.00 0.00 C ATOM 614 O ASN A 48 -5.898 -4.303 4.201 1.00 0.00 O ATOM 615 CB ASN A 48 -6.025 -6.653 2.469 1.00 0.00 C ATOM 616 CG ASN A 48 -6.035 -7.580 3.676 1.00 0.00 C ATOM 617 OD1 ASN A 48 -7.039 -7.677 4.378 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.913 -8.263 3.915 1.00 0.00 N ATOM 0 H ASN A 48 -6.139 -4.175 1.403 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.086 -6.080 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.178 -7.233 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.050 -6.174 2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.863 -8.900 4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.106 -8.148 3.302 1.00 0.00 H new ATOM 625 N PRO A 49 -8.058 -4.744 4.666 1.00 0.00 N ATOM 626 CA PRO A 49 -8.109 -4.057 5.939 1.00 0.00 C ATOM 627 C PRO A 49 -7.339 -4.856 6.981 1.00 0.00 C ATOM 628 O PRO A 49 -7.245 -4.445 8.136 1.00 0.00 O ATOM 629 CB PRO A 49 -9.595 -3.991 6.288 1.00 0.00 C ATOM 630 CG PRO A 49 -10.155 -5.247 5.623 1.00 0.00 C ATOM 631 CD PRO A 49 -9.335 -5.339 4.338 1.00 0.00 C ATOM 0 HA PRO A 49 -7.661 -3.064 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.758 -3.997 7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.062 -3.086 5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.026 -6.129 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.221 -5.155 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.218 -6.374 4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.821 -4.806 3.521 1.00 0.00 H new ATOM 639 N ALA A 50 -6.788 -6.001 6.571 1.00 0.00 N ATOM 640 CA ALA A 50 -6.033 -6.850 7.470 1.00 0.00 C ATOM 641 C ALA A 50 -4.578 -6.404 7.500 1.00 0.00 C ATOM 642 O ALA A 50 -3.818 -6.816 8.373 1.00 0.00 O ATOM 643 CB ALA A 50 -6.144 -8.301 7.010 1.00 0.00 C ATOM 0 H ALA A 50 -6.856 -6.355 5.617 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.438 -6.770 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.576 -8.941 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.191 -8.605 7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.744 -8.394 6.000 1.00 0.00 H new ATOM 649 N ASP A 51 -4.191 -5.559 6.542 1.00 0.00 N ATOM 650 CA ASP A 51 -2.831 -5.063 6.463 1.00 0.00 C ATOM 651 C ASP A 51 -2.843 -3.548 6.318 1.00 0.00 C ATOM 652 O ASP A 51 -1.920 -2.971 5.748 1.00 0.00 O ATOM 653 CB ASP A 51 -2.121 -5.715 5.280 1.00 0.00 C ATOM 654 CG ASP A 51 -2.436 -7.202 5.208 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.757 -7.766 6.277 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.350 -7.747 4.087 1.00 0.00 O ATOM 0 H ASP A 51 -4.809 -5.207 5.811 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.293 -5.316 7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.428 -5.229 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.044 -5.572 5.373 1.00 0.00 H new ATOM 661 N PHE A 52 -3.892 -2.905 6.835 1.00 0.00 N ATOM 662 CA PHE A 52 -4.015 -1.463 6.759 1.00 0.00 C ATOM 663 C PHE A 52 -3.518 -0.833 8.052 1.00 0.00 C ATOM 664 O PHE A 52 -4.097 -1.051 9.114 1.00 0.00 O ATOM 665 CB PHE A 52 -5.473 -1.091 6.502 1.00 0.00 C ATOM 666 CG PHE A 52 -6.160 -0.480 7.700 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.679 0.715 8.248 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.279 -1.107 8.261 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.317 1.283 9.358 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.917 -0.540 9.370 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.436 0.655 9.919 1.00 0.00 C ATOM 0 H PHE A 52 -4.666 -3.369 7.310 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.406 -1.085 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.519 -0.389 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.019 -1.984 6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.816 1.199 7.815 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.650 -2.029 7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.946 2.205 9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.780 -1.024 9.802 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.928 1.092 10.775 1.00 0.00 H new ATOM 681 N SER A 53 -2.440 -0.050 7.961 1.00 0.00 N ATOM 682 CA SER A 53 -1.873 0.607 9.121 1.00 0.00 C ATOM 683 C SER A 53 -2.133 2.105 9.046 1.00 0.00 C ATOM 684 O SER A 53 -2.781 2.579 8.115 1.00 0.00 O ATOM 685 CB SER A 53 -0.376 0.321 9.185 1.00 0.00 C ATOM 686 OG SER A 53 0.188 1.009 10.279 1.00 0.00 O ATOM 0 H SER A 53 -1.947 0.139 7.088 1.00 0.00 H new ATOM 0 HA SER A 53 -2.343 0.223 10.026 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.204 -0.750 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.105 0.634 8.258 1.00 0.00 H new ATOM 0 HG SER A 53 0.611 1.835 9.963 1.00 0.00 H new ATOM 692 N SER A 54 -1.625 2.850 10.030 1.00 0.00 N ATOM 693 CA SER A 54 -1.804 4.288 10.069 1.00 0.00 C ATOM 694 C SER A 54 -0.585 4.943 10.703 1.00 0.00 C ATOM 695 O SER A 54 0.115 4.319 11.498 1.00 0.00 O ATOM 696 CB SER A 54 -3.068 4.622 10.856 1.00 0.00 C ATOM 697 OG SER A 54 -2.747 4.760 12.222 1.00 0.00 O ATOM 0 H SER A 54 -1.086 2.472 10.809 1.00 0.00 H new ATOM 0 HA SER A 54 -1.912 4.672 9.055 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.510 5.545 10.480 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.811 3.835 10.723 1.00 0.00 H new ATOM 0 HG SER A 54 -3.558 4.976 12.728 1.00 0.00 H new ATOM 703 N VAL A 55 -0.332 6.205 10.349 1.00 0.00 N ATOM 704 CA VAL A 55 0.797 6.938 10.884 1.00 0.00 C ATOM 705 C VAL A 55 0.645 8.419 10.570 1.00 0.00 C ATOM 706 O VAL A 55 -0.137 8.794 9.699 1.00 0.00 O ATOM 707 CB VAL A 55 2.089 6.388 10.286 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.974 6.361 8.765 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.258 7.280 10.693 1.00 0.00 C ATOM 0 H VAL A 55 -0.902 6.735 9.690 1.00 0.00 H new ATOM 0 HA VAL A 55 0.834 6.818 11.967 1.00 0.00 H new ATOM 0 HB VAL A 55 2.259 5.377 10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.896 5.968 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.139 5.723 8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.804 7.372 8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.181 6.888 10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.089 8.292 10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.340 7.299 11.780 1.00 0.00 H new ATOM 719 N THR A 56 1.397 9.263 11.281 1.00 0.00 N ATOM 720 CA THR A 56 1.340 10.696 11.070 1.00 0.00 C ATOM 721 C THR A 56 2.743 11.245 10.857 1.00 0.00 C ATOM 722 O THR A 56 3.681 10.841 11.539 1.00 0.00 O ATOM 723 CB THR A 56 0.677 11.360 12.274 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.515 10.676 12.590 1.00 0.00 O ATOM 725 CG2 THR A 56 0.355 12.814 11.940 1.00 0.00 C ATOM 0 H THR A 56 2.051 8.970 12.007 1.00 0.00 H new ATOM 0 HA THR A 56 0.749 10.912 10.180 1.00 0.00 H new ATOM 0 HB THR A 56 1.354 11.324 13.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.940 11.101 13.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.118 13.288 12.800 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.276 13.343 11.695 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.322 12.850 11.087 1.00 0.00 H new ATOM 733 N ALA A 57 2.883 12.171 9.905 1.00 0.00 N ATOM 734 CA ALA A 57 4.168 12.770 9.605 1.00 0.00 C ATOM 735 C ALA A 57 4.491 13.840 10.639 1.00 0.00 C ATOM 736 O ALA A 57 3.602 14.558 11.090 1.00 0.00 O ATOM 737 CB ALA A 57 4.134 13.367 8.202 1.00 0.00 C ATOM 0 H ALA A 57 2.114 12.517 9.332 1.00 0.00 H new ATOM 0 HA ALA A 57 4.947 12.009 9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.100 13.818 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.921 12.581 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.357 14.129 8.150 1.00 0.00 H new ATOM 743 N ASP A 58 5.768 13.944 11.013 1.00 0.00 N ATOM 744 CA ASP A 58 6.201 14.923 11.991 1.00 0.00 C ATOM 745 C ASP A 58 6.362 16.281 11.323 1.00 0.00 C ATOM 746 O ASP A 58 6.015 16.445 10.156 1.00 0.00 O ATOM 747 CB ASP A 58 7.516 14.468 12.617 1.00 0.00 C ATOM 748 CG ASP A 58 8.595 14.304 11.556 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.392 14.851 10.450 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.602 13.634 11.870 1.00 0.00 O ATOM 0 H ASP A 58 6.517 13.356 10.647 1.00 0.00 H new ATOM 0 HA ASP A 58 5.452 15.014 12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.840 15.195 13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.367 13.523 13.139 1.00 0.00 H new ATOM 755 N ALA A 59 6.890 17.256 12.067 1.00 0.00 N ATOM 756 CA ALA A 59 7.092 18.592 11.545 1.00 0.00 C ATOM 757 C ALA A 59 8.084 18.550 10.391 1.00 0.00 C ATOM 758 O ALA A 59 8.069 19.423 9.526 1.00 0.00 O ATOM 759 CB ALA A 59 7.599 19.502 12.661 1.00 0.00 C ATOM 0 H ALA A 59 7.184 17.135 13.036 1.00 0.00 H new ATOM 0 HA ALA A 59 6.147 18.988 11.172 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.751 20.508 12.269 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.865 19.534 13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.543 19.115 13.045 1.00 0.00 H new ATOM 765 N ASN A 60 8.946 17.531 10.380 1.00 0.00 N ATOM 766 CA ASN A 60 9.938 17.383 9.333 1.00 0.00 C ATOM 767 C ASN A 60 9.273 16.892 8.055 1.00 0.00 C ATOM 768 O ASN A 60 9.904 16.849 7.001 1.00 0.00 O ATOM 769 CB ASN A 60 11.016 16.405 9.791 1.00 0.00 C ATOM 770 CG ASN A 60 12.379 17.080 9.832 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.477 18.296 9.683 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.434 16.287 10.037 1.00 0.00 N ATOM 0 H ASN A 60 8.970 16.799 11.090 1.00 0.00 H new ATOM 0 HA ASN A 60 10.402 18.348 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.767 16.019 10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.049 15.551 9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.372 16.686 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.302 15.283 10.155 1.00 0.00 H new ATOM 779 N GLY A 61 7.993 16.522 8.149 1.00 0.00 N ATOM 780 CA GLY A 61 7.255 16.039 6.999 1.00 0.00 C ATOM 781 C GLY A 61 7.700 14.628 6.642 1.00 0.00 C ATOM 782 O GLY A 61 7.685 14.246 5.474 1.00 0.00 O ATOM 0 H GLY A 61 7.454 16.551 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.186 16.047 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.415 16.704 6.150 1.00 0.00 H new ATOM 786 N SER A 62 8.098 13.852 7.653 1.00 0.00 N ATOM 787 CA SER A 62 8.544 12.490 7.440 1.00 0.00 C ATOM 788 C SER A 62 7.790 11.548 8.369 1.00 0.00 C ATOM 789 O SER A 62 7.563 11.871 9.533 1.00 0.00 O ATOM 790 CB SER A 62 10.048 12.403 7.687 1.00 0.00 C ATOM 791 OG SER A 62 10.319 12.697 9.040 1.00 0.00 O ATOM 0 H SER A 62 8.117 14.153 8.627 1.00 0.00 H new ATOM 0 HA SER A 62 8.340 12.194 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.411 11.405 7.441 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.575 13.103 7.039 1.00 0.00 H new ATOM 0 HG SER A 62 11.284 12.640 9.200 1.00 0.00 H new ATOM 797 N ALA A 63 7.403 10.381 7.850 1.00 0.00 N ATOM 798 CA ALA A 63 6.677 9.400 8.633 1.00 0.00 C ATOM 799 C ALA A 63 7.357 8.043 8.516 1.00 0.00 C ATOM 800 O ALA A 63 8.224 7.852 7.667 1.00 0.00 O ATOM 801 CB ALA A 63 5.234 9.326 8.143 1.00 0.00 C ATOM 0 H ALA A 63 7.585 10.099 6.887 1.00 0.00 H new ATOM 0 HA ALA A 63 6.675 9.695 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.687 8.589 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.761 10.302 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.221 9.034 7.093 1.00 0.00 H new ATOM 807 N SER A 64 6.960 7.099 9.373 1.00 0.00 N ATOM 808 CA SER A 64 7.532 5.767 9.360 1.00 0.00 C ATOM 809 C SER A 64 6.501 4.758 9.845 1.00 0.00 C ATOM 810 O SER A 64 5.924 4.923 10.918 1.00 0.00 O ATOM 811 CB SER A 64 8.774 5.739 10.245 1.00 0.00 C ATOM 812 OG SER A 64 8.393 5.890 11.594 1.00 0.00 O ATOM 0 H SER A 64 6.242 7.241 10.083 1.00 0.00 H new ATOM 0 HA SER A 64 7.821 5.501 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.309 4.799 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.457 6.538 9.957 1.00 0.00 H new ATOM 0 HG SER A 64 7.449 5.648 11.696 1.00 0.00 H new ATOM 818 N THR A 65 6.269 3.710 9.052 1.00 0.00 N ATOM 819 CA THR A 65 5.312 2.682 9.408 1.00 0.00 C ATOM 820 C THR A 65 5.729 1.351 8.800 1.00 0.00 C ATOM 821 O THR A 65 6.554 1.312 7.890 1.00 0.00 O ATOM 822 CB THR A 65 3.925 3.089 8.917 1.00 0.00 C ATOM 823 OG1 THR A 65 3.056 3.220 10.019 1.00 0.00 O ATOM 824 CG2 THR A 65 3.387 2.020 7.970 1.00 0.00 C ATOM 0 H THR A 65 6.737 3.558 8.158 1.00 0.00 H new ATOM 0 HA THR A 65 5.283 2.568 10.492 1.00 0.00 H new ATOM 0 HB THR A 65 3.991 4.041 8.391 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.162 3.467 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.397 2.310 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.059 1.918 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.321 1.068 8.496 1.00 0.00 H new ATOM 832 N SER A 66 5.157 0.257 9.308 1.00 0.00 N ATOM 833 CA SER A 66 5.471 -1.069 8.814 1.00 0.00 C ATOM 834 C SER A 66 4.255 -1.662 8.117 1.00 0.00 C ATOM 835 O SER A 66 3.154 -1.647 8.664 1.00 0.00 O ATOM 836 CB SER A 66 5.913 -1.953 9.976 1.00 0.00 C ATOM 837 OG SER A 66 6.045 -1.167 11.140 1.00 0.00 O ATOM 0 H SER A 66 4.472 0.273 10.064 1.00 0.00 H new ATOM 0 HA SER A 66 6.285 -1.008 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.184 -2.747 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.862 -2.435 9.740 1.00 0.00 H new ATOM 0 HG SER A 66 6.327 -1.734 11.888 1.00 0.00 H new ATOM 843 N LEU A 67 4.456 -2.186 6.905 1.00 0.00 N ATOM 844 CA LEU A 67 3.378 -2.782 6.141 1.00 0.00 C ATOM 845 C LEU A 67 3.551 -4.293 6.097 1.00 0.00 C ATOM 846 O LEU A 67 4.601 -4.789 5.695 1.00 0.00 O ATOM 847 CB LEU A 67 3.371 -2.197 4.731 1.00 0.00 C ATOM 848 CG LEU A 67 1.941 -2.165 4.201 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.451 -3.592 3.974 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.037 -1.472 5.217 1.00 0.00 C ATOM 0 H LEU A 67 5.362 -2.205 6.438 1.00 0.00 H new ATOM 0 HA LEU A 67 2.423 -2.560 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.789 -1.190 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.001 -2.797 4.074 1.00 0.00 H new ATOM 0 HG LEU A 67 1.915 -1.618 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.429 -3.570 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.096 -4.087 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.477 -4.140 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.015 -1.449 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.063 -2.019 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.387 -0.453 5.379 1.00 0.00 H new ATOM 862 N THR A 68 2.515 -5.027 6.511 1.00 0.00 N ATOM 863 CA THR A 68 2.560 -6.475 6.514 1.00 0.00 C ATOM 864 C THR A 68 2.259 -7.006 5.120 1.00 0.00 C ATOM 865 O THR A 68 1.268 -6.618 4.505 1.00 0.00 O ATOM 866 CB THR A 68 1.553 -7.013 7.526 1.00 0.00 C ATOM 867 OG1 THR A 68 1.537 -8.421 7.470 1.00 0.00 O ATOM 868 CG2 THR A 68 0.164 -6.474 7.197 1.00 0.00 C ATOM 0 H THR A 68 1.637 -4.633 6.848 1.00 0.00 H new ATOM 0 HA THR A 68 3.557 -6.809 6.800 1.00 0.00 H new ATOM 0 HB THR A 68 1.838 -6.693 8.528 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.469 -8.784 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.556 -6.858 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.177 -5.385 7.241 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.122 -6.793 6.195 1.00 0.00 H new ATOM 876 N VAL A 69 3.119 -7.898 4.621 1.00 0.00 N ATOM 877 CA VAL A 69 2.943 -8.478 3.305 1.00 0.00 C ATOM 878 C VAL A 69 2.124 -9.756 3.412 1.00 0.00 C ATOM 879 O VAL A 69 2.446 -10.638 4.205 1.00 0.00 O ATOM 880 CB VAL A 69 4.309 -8.761 2.688 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.352 -10.201 2.185 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.546 -7.807 1.520 1.00 0.00 C ATOM 0 H VAL A 69 3.945 -8.230 5.119 1.00 0.00 H new ATOM 0 HA VAL A 69 2.407 -7.779 2.663 1.00 0.00 H new ATOM 0 HB VAL A 69 5.085 -8.616 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.328 -10.403 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.182 -10.883 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.577 -10.347 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.522 -8.008 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.770 -7.953 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.515 -6.778 1.879 1.00 0.00 H new ATOM 892 N ARG A 70 1.061 -9.855 2.610 1.00 0.00 N ATOM 893 CA ARG A 70 0.202 -11.022 2.618 1.00 0.00 C ATOM 894 C ARG A 70 0.207 -11.676 1.244 1.00 0.00 C ATOM 895 O ARG A 70 0.226 -10.986 0.227 1.00 0.00 O ATOM 896 CB ARG A 70 -1.212 -10.609 3.015 1.00 0.00 C ATOM 897 CG ARG A 70 -1.367 -10.713 4.529 1.00 0.00 C ATOM 898 CD ARG A 70 -0.076 -10.260 5.206 1.00 0.00 C ATOM 899 NE ARG A 70 -0.309 -9.926 6.611 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.263 -10.839 7.591 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.006 -12.119 7.301 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.486 -10.472 8.860 1.00 0.00 N ATOM 0 H ARG A 70 0.781 -9.132 1.947 1.00 0.00 H new ATOM 0 HA ARG A 70 0.572 -11.746 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.409 -9.588 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.942 -11.249 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.201 -10.096 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.597 -11.740 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.672 -11.050 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.327 -9.392 4.684 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.515 -8.957 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.176 -12.398 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.041 -12.814 8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.691 -9.497 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.451 -11.167 9.606 1.00 0.00 H new ATOM 916 N ARG A 71 0.189 -13.010 1.216 1.00 0.00 N ATOM 917 CA ARG A 71 0.193 -13.749 -0.031 1.00 0.00 C ATOM 918 C ARG A 71 -1.142 -13.569 -0.740 1.00 0.00 C ATOM 919 O ARG A 71 -1.194 -13.529 -1.968 1.00 0.00 O ATOM 920 CB ARG A 71 0.458 -15.225 0.254 1.00 0.00 C ATOM 921 CG ARG A 71 -0.431 -15.688 1.404 1.00 0.00 C ATOM 922 CD ARG A 71 -0.595 -17.204 1.342 1.00 0.00 C ATOM 923 NE ARG A 71 -1.789 -17.634 2.069 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.059 -18.922 2.324 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.218 -19.878 1.908 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.171 -19.253 2.995 1.00 0.00 N ATOM 0 H ARG A 71 0.171 -13.595 2.051 1.00 0.00 H new ATOM 0 HA ARG A 71 0.982 -13.370 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.258 -15.820 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.507 -15.375 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.010 -15.398 2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.405 -15.203 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.664 -17.523 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.286 -17.686 1.766 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.444 -16.924 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.372 -19.626 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.424 -20.858 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.811 -18.525 3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.377 -20.233 3.189 1.00 0.00 H new ATOM 940 N SER A 72 -2.223 -13.460 0.036 1.00 0.00 N ATOM 941 CA SER A 72 -3.548 -13.284 -0.522 1.00 0.00 C ATOM 942 C SER A 72 -4.507 -12.816 0.563 1.00 0.00 C ATOM 943 O SER A 72 -4.239 -12.990 1.749 1.00 0.00 O ATOM 944 CB SER A 72 -4.022 -14.600 -1.132 1.00 0.00 C ATOM 945 OG SER A 72 -3.944 -15.621 -0.163 1.00 0.00 O ATOM 0 H SER A 72 -2.197 -13.492 1.055 1.00 0.00 H new ATOM 0 HA SER A 72 -3.519 -12.526 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.047 -14.500 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.408 -14.855 -1.995 1.00 0.00 H new ATOM 0 HG SER A 72 -4.250 -16.466 -0.553 1.00 0.00 H new ATOM 951 N PHE A 73 -5.630 -12.220 0.153 1.00 0.00 N ATOM 952 CA PHE A 73 -6.621 -11.733 1.092 1.00 0.00 C ATOM 953 C PHE A 73 -7.806 -11.150 0.335 1.00 0.00 C ATOM 954 O PHE A 73 -7.759 -11.012 -0.885 1.00 0.00 O ATOM 955 CB PHE A 73 -5.987 -10.682 1.999 1.00 0.00 C ATOM 956 CG PHE A 73 -5.128 -9.686 1.258 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.671 -8.938 0.207 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.788 -9.508 1.625 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.875 -8.012 -0.478 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.992 -8.583 0.939 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.535 -7.835 -0.112 1.00 0.00 C ATOM 0 H PHE A 73 -5.868 -12.067 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.980 -12.557 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.776 -10.147 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.380 -11.183 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.704 -9.075 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.369 -10.084 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.294 -7.434 -1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.958 -8.447 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.921 -7.121 -0.641 1.00 0.00 H new ATOM 971 N GLU A 74 -8.871 -10.806 1.063 1.00 0.00 N ATOM 972 CA GLU A 74 -10.058 -10.239 0.456 1.00 0.00 C ATOM 973 C GLU A 74 -9.721 -8.908 -0.201 1.00 0.00 C ATOM 974 O GLU A 74 -9.283 -7.975 0.470 1.00 0.00 O ATOM 975 CB GLU A 74 -11.136 -10.059 1.521 1.00 0.00 C ATOM 976 CG GLU A 74 -10.504 -9.510 2.796 1.00 0.00 C ATOM 977 CD GLU A 74 -10.491 -10.564 3.894 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.887 -11.631 3.648 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.084 -10.284 4.957 1.00 0.00 O ATOM 0 H GLU A 74 -8.927 -10.914 2.076 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.433 -10.914 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.907 -9.377 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.623 -11.012 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.485 -9.182 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.059 -8.634 3.134 1.00 0.00 H new ATOM 986 N GLY A 75 -9.927 -8.820 -1.517 1.00 0.00 N ATOM 987 CA GLY A 75 -9.643 -7.603 -2.252 1.00 0.00 C ATOM 988 C GLY A 75 -10.764 -6.593 -2.051 1.00 0.00 C ATOM 989 O GLY A 75 -11.742 -6.591 -2.796 1.00 0.00 O ATOM 0 H GLY A 75 -10.290 -9.583 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.697 -7.179 -1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.532 -7.828 -3.313 1.00 0.00 H new ATOM 993 N PHE A 76 -10.620 -5.732 -1.041 1.00 0.00 N ATOM 994 CA PHE A 76 -11.619 -4.723 -0.750 1.00 0.00 C ATOM 995 C PHE A 76 -11.401 -3.508 -1.639 1.00 0.00 C ATOM 996 O PHE A 76 -10.542 -2.675 -1.356 1.00 0.00 O ATOM 997 CB PHE A 76 -11.537 -4.338 0.724 1.00 0.00 C ATOM 998 CG PHE A 76 -12.724 -4.798 1.535 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.022 -4.466 1.128 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.528 -5.560 2.693 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.123 -4.895 1.879 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.629 -5.989 3.444 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.926 -5.656 3.037 1.00 0.00 C ATOM 0 H PHE A 76 -9.816 -5.720 -0.414 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.613 -5.121 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.629 -4.762 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.451 -3.254 0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.174 -3.879 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.527 -5.817 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.124 -4.639 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.477 -6.577 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.775 -5.986 3.617 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.181 -3.406 -2.718 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.070 -2.295 -3.641 1.00 0.00 C ATOM 1015 C LEU A 77 -12.274 -0.983 -2.898 1.00 0.00 C ATOM 1016 O LEU A 77 -13.221 -0.845 -2.126 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.103 -2.452 -4.753 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.509 -1.075 -5.269 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.297 -0.387 -5.892 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.604 -1.228 -6.321 1.00 0.00 C ATOM 0 H LEU A 77 -12.897 -4.088 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.075 -2.287 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.690 -3.049 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.978 -2.984 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.883 -0.473 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.587 0.597 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.515 -0.277 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.923 -0.989 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.894 -0.244 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.231 -1.831 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.470 -1.719 -5.876 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.383 -0.017 -3.132 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.472 1.277 -2.484 1.00 0.00 C ATOM 1034 C PHE A 78 -12.899 1.800 -2.569 1.00 0.00 C ATOM 1035 O PHE A 78 -13.390 2.424 -1.631 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.499 2.246 -3.150 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.176 2.361 -2.431 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.083 3.112 -1.253 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.043 1.719 -2.944 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.856 3.220 -0.588 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -6.816 1.828 -2.279 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.722 2.578 -1.101 1.00 0.00 C ATOM 0 H PHE A 78 -10.592 -0.115 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.205 1.181 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.319 1.921 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.961 3.232 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.957 3.608 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.115 1.140 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.784 3.799 0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.942 1.333 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.775 2.662 -0.588 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.564 1.543 -3.697 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.928 1.989 -3.898 1.00 0.00 C ATOM 1054 C ASP A 79 -15.819 1.434 -2.796 1.00 0.00 C ATOM 1055 O ASP A 79 -16.929 1.921 -2.589 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.415 1.531 -5.270 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.348 2.563 -5.889 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.368 3.697 -5.363 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.022 2.199 -6.876 1.00 0.00 O ATOM 0 H ASP A 79 -13.171 1.026 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.969 3.077 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.561 1.367 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.933 0.577 -5.176 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.333 0.412 -2.089 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.090 -0.199 -1.015 1.00 0.00 C ATOM 1066 C GLY A 80 -16.814 -1.440 -1.520 1.00 0.00 C ATOM 1067 O GLY A 80 -17.861 -1.808 -0.992 1.00 0.00 O ATOM 0 H GLY A 80 -14.416 -0.005 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.422 -0.467 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.811 0.515 -0.617 1.00 0.00 H new ATOM 1071 N THR A 81 -16.253 -2.084 -2.545 1.00 0.00 N ATOM 1072 CA THR A 81 -16.849 -3.277 -3.112 1.00 0.00 C ATOM 1073 C THR A 81 -15.948 -4.477 -2.859 1.00 0.00 C ATOM 1074 O THR A 81 -14.727 -4.344 -2.822 1.00 0.00 O ATOM 1075 CB THR A 81 -17.070 -3.073 -4.608 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.092 -2.122 -4.807 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.477 -4.397 -5.248 1.00 0.00 C ATOM 0 H THR A 81 -15.385 -1.792 -2.994 1.00 0.00 H new ATOM 0 HA THR A 81 -17.812 -3.466 -2.638 1.00 0.00 H new ATOM 0 HB THR A 81 -16.147 -2.717 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.233 -1.989 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.635 -4.251 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.688 -5.133 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.400 -4.754 -4.790 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.555 -5.654 -2.685 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.808 -6.870 -2.436 1.00 0.00 C ATOM 1087 C ARG A 82 -15.393 -7.500 -3.758 1.00 0.00 C ATOM 1088 O ARG A 82 -16.157 -8.253 -4.356 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.667 -7.835 -1.624 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.777 -8.627 -0.669 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.609 -9.117 0.513 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.932 -10.537 0.375 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.861 -11.147 1.124 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.540 -10.451 2.047 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -18.111 -12.452 0.951 1.00 0.00 N ATOM 0 H ARG A 82 -17.567 -5.781 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.907 -6.639 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.421 -7.283 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.199 -8.514 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.330 -9.474 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.957 -8.002 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.060 -8.954 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.529 -8.536 0.580 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.428 -11.087 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.349 -9.458 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.247 -10.915 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.594 -12.982 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.818 -12.916 1.521 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.177 -7.190 -4.214 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.671 -7.730 -5.460 1.00 0.00 C ATOM 1111 C TRP A 83 -13.531 -9.242 -5.350 1.00 0.00 C ATOM 1112 O TRP A 83 -14.123 -9.981 -6.133 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.327 -7.084 -5.784 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.190 -6.584 -7.186 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.956 -5.301 -7.537 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.276 -7.331 -8.438 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.892 -5.203 -8.911 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.083 -6.427 -9.518 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -12.498 -8.679 -8.772 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.108 -6.837 -10.854 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -12.525 -9.100 -10.109 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.331 -8.184 -11.150 1.00 0.00 C ATOM 0 H TRP A 83 -13.530 -6.566 -3.732 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.370 -7.509 -6.267 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.166 -6.251 -5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.536 -7.810 -5.594 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.837 -4.478 -6.848 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.724 -4.333 -9.416 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -12.650 -9.403 -7.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.957 -6.121 -11.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -12.697 -10.141 -10.338 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.354 -8.517 -12.177 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.743 -9.701 -4.375 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.533 -11.121 -4.172 1.00 0.00 C ATOM 1135 C GLY A 84 -11.135 -11.374 -3.624 1.00 0.00 C ATOM 1136 O GLY A 84 -10.274 -10.498 -3.684 1.00 0.00 O ATOM 0 H GLY A 84 -12.243 -9.103 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.279 -11.511 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.664 -11.654 -5.114 1.00 0.00 H new ATOM 1140 N THR A 85 -10.910 -12.576 -3.089 1.00 0.00 N ATOM 1141 CA THR A 85 -9.620 -12.934 -2.536 1.00 0.00 C ATOM 1142 C THR A 85 -8.542 -12.793 -3.601 1.00 0.00 C ATOM 1143 O THR A 85 -8.484 -13.586 -4.539 1.00 0.00 O ATOM 1144 CB THR A 85 -9.673 -14.364 -2.007 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.999 -14.683 -1.649 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.772 -14.488 -0.782 1.00 0.00 C ATOM 0 H THR A 85 -11.612 -13.314 -3.031 1.00 0.00 H new ATOM 0 HA THR A 85 -9.377 -12.264 -1.712 1.00 0.00 H new ATOM 0 HB THR A 85 -9.330 -15.050 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.429 -15.167 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.810 -15.510 -0.404 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.747 -14.241 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.115 -13.802 -0.007 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.685 -11.780 -3.455 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.615 -11.539 -4.401 1.00 0.00 C ATOM 1156 C VAL A 86 -5.403 -12.383 -4.033 1.00 0.00 C ATOM 1157 O VAL A 86 -5.204 -12.711 -2.865 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.261 -10.055 -4.401 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.851 -9.868 -4.954 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.254 -9.295 -5.276 1.00 0.00 C ATOM 0 H VAL A 86 -7.719 -11.115 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.939 -11.821 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.306 -9.671 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.598 -8.808 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.141 -10.411 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.806 -10.252 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.001 -8.235 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.209 -9.679 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.262 -9.428 -4.882 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.592 -12.735 -5.033 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.407 -13.538 -4.810 1.00 0.00 C ATOM 1172 C ASP A 87 -2.164 -12.725 -5.142 1.00 0.00 C ATOM 1173 O ASP A 87 -1.739 -12.680 -6.294 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.476 -14.796 -5.670 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.142 -15.937 -4.914 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.323 -15.759 -4.544 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.458 -16.964 -4.719 1.00 0.00 O ATOM 0 H ASP A 87 -4.743 -12.471 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.355 -13.833 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.033 -14.586 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.471 -15.092 -5.970 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.581 -12.081 -4.128 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.392 -11.274 -4.316 1.00 0.00 C ATOM 1184 C CYS A 88 0.689 -12.101 -4.998 1.00 0.00 C ATOM 1185 O CYS A 88 1.572 -11.552 -5.652 1.00 0.00 O ATOM 1186 CB CYS A 88 0.092 -10.759 -2.964 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.695 -9.216 -2.439 1.00 0.00 S ATOM 0 H CYS A 88 -1.922 -12.109 -3.167 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.624 -10.420 -4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.091 -11.523 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.170 -10.608 -3.009 1.00 0.00 H new ATOM 1192 N THR A 89 0.617 -13.425 -4.843 1.00 0.00 N ATOM 1193 CA THR A 89 1.589 -14.315 -5.445 1.00 0.00 C ATOM 1194 C THR A 89 1.231 -14.564 -6.903 1.00 0.00 C ATOM 1195 O THR A 89 1.907 -15.327 -7.590 1.00 0.00 O ATOM 1196 CB THR A 89 1.627 -15.627 -4.667 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.318 -16.135 -4.538 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.215 -15.379 -3.280 1.00 0.00 C ATOM 0 H THR A 89 -0.109 -13.897 -4.303 1.00 0.00 H new ATOM 0 HA THR A 89 2.577 -13.856 -5.408 1.00 0.00 H new ATOM 0 HB THR A 89 2.246 -16.348 -5.201 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.342 -16.979 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.242 -16.316 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.227 -14.986 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.596 -14.658 -2.746 1.00 0.00 H new ATOM 1206 N THR A 90 0.164 -13.917 -7.377 1.00 0.00 N ATOM 1207 CA THR A 90 -0.274 -14.072 -8.749 1.00 0.00 C ATOM 1208 C THR A 90 -0.150 -12.747 -9.487 1.00 0.00 C ATOM 1209 O THR A 90 0.021 -12.724 -10.704 1.00 0.00 O ATOM 1210 CB THR A 90 -1.717 -14.569 -8.768 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.729 -15.979 -8.749 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.409 -14.072 -10.034 1.00 0.00 C ATOM 0 H THR A 90 -0.408 -13.281 -6.822 1.00 0.00 H new ATOM 0 HA THR A 90 0.356 -14.804 -9.254 1.00 0.00 H new ATOM 0 HB THR A 90 -2.244 -14.189 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.655 -16.298 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.440 -14.427 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.400 -12.982 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.882 -14.452 -10.910 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.237 -11.640 -8.745 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.136 -10.318 -9.329 1.00 0.00 C ATOM 1222 C ALA A 91 0.779 -9.448 -8.479 1.00 0.00 C ATOM 1223 O ALA A 91 1.319 -9.907 -7.476 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.527 -9.701 -9.433 1.00 0.00 C ATOM 0 H ALA A 91 -0.378 -11.643 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 91 0.290 -10.389 -10.330 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.452 -8.706 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.157 -10.329 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.967 -9.626 -8.439 1.00 0.00 H new ATOM 1230 N ALA A 92 0.951 -8.187 -8.884 1.00 0.00 N ATOM 1231 CA ALA A 92 1.798 -7.261 -8.161 1.00 0.00 C ATOM 1232 C ALA A 92 0.946 -6.381 -7.258 1.00 0.00 C ATOM 1233 O ALA A 92 -0.001 -5.748 -7.719 1.00 0.00 O ATOM 1234 CB ALA A 92 2.588 -6.413 -9.154 1.00 0.00 C ATOM 0 H ALA A 92 0.509 -7.791 -9.714 1.00 0.00 H new ATOM 0 HA ALA A 92 2.500 -7.815 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.226 -5.716 -8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.206 -7.061 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.897 -5.855 -9.787 1.00 0.00 H new ATOM 1240 N CYS A 93 1.285 -6.342 -5.967 1.00 0.00 N ATOM 1241 CA CYS A 93 0.552 -5.542 -5.007 1.00 0.00 C ATOM 1242 C CYS A 93 1.360 -4.303 -4.645 1.00 0.00 C ATOM 1243 O CYS A 93 2.522 -4.184 -5.028 1.00 0.00 O ATOM 1244 CB CYS A 93 0.260 -6.379 -3.765 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.464 -7.998 -4.124 1.00 0.00 S ATOM 0 H CYS A 93 2.068 -6.861 -5.570 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.394 -5.221 -5.442 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.187 -6.522 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.418 -5.824 -3.117 1.00 0.00 H new ATOM 1250 N GLN A 94 0.743 -3.380 -3.904 1.00 0.00 N ATOM 1251 CA GLN A 94 1.406 -2.158 -3.497 1.00 0.00 C ATOM 1252 C GLN A 94 0.778 -1.632 -2.214 1.00 0.00 C ATOM 1253 O GLN A 94 -0.419 -1.800 -1.993 1.00 0.00 O ATOM 1254 CB GLN A 94 1.298 -1.126 -4.615 1.00 0.00 C ATOM 1255 CG GLN A 94 0.207 -0.116 -4.273 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.322 0.559 -5.530 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.636 -0.111 -6.512 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.419 1.890 -5.499 1.00 0.00 N ATOM 0 H GLN A 94 -0.219 -3.465 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 94 2.460 -2.358 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.252 -0.616 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.068 -1.620 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.609 -0.618 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.603 0.636 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.146 2.402 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.766 2.395 -6.314 1.00 0.00 H new ATOM 1267 N VAL A 95 1.590 -0.992 -1.369 1.00 0.00 N ATOM 1268 CA VAL A 95 1.111 -0.444 -0.116 1.00 0.00 C ATOM 1269 C VAL A 95 0.970 1.066 -0.234 1.00 0.00 C ATOM 1270 O VAL A 95 1.493 1.669 -1.170 1.00 0.00 O ATOM 1271 CB VAL A 95 2.082 -0.811 1.003 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.883 0.137 2.181 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.820 -2.245 1.453 1.00 0.00 C ATOM 0 H VAL A 95 2.585 -0.845 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 95 0.132 -0.863 0.118 1.00 0.00 H new ATOM 0 HB VAL A 95 3.106 -0.726 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.576 -0.125 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.071 1.161 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.860 0.053 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.513 -2.508 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.796 -2.331 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.963 -2.922 0.611 1.00 0.00 H new ATOM 1283 N GLY A 96 0.262 1.679 0.717 1.00 0.00 N ATOM 1284 CA GLY A 96 0.060 3.114 0.709 1.00 0.00 C ATOM 1285 C GLY A 96 -0.756 3.539 1.923 1.00 0.00 C ATOM 1286 O GLY A 96 -1.351 2.701 2.597 1.00 0.00 O ATOM 0 H GLY A 96 -0.178 1.196 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.023 3.624 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.454 3.411 -0.205 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.781 4.845 2.199 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.522 5.374 3.327 1.00 0.00 C ATOM 1292 C LEU A 97 -2.359 6.564 2.883 1.00 0.00 C ATOM 1293 O LEU A 97 -1.863 7.451 2.191 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.547 5.779 4.429 1.00 0.00 C ATOM 1295 CG LEU A 97 0.434 6.813 3.885 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.524 7.988 4.855 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.811 6.175 3.729 1.00 0.00 C ATOM 0 H LEU A 97 -0.292 5.551 1.649 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.194 4.609 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.092 6.191 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.007 4.904 4.791 1.00 0.00 H new ATOM 0 HG LEU A 97 0.087 7.169 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.225 8.727 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.460 8.444 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.871 7.633 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.512 6.913 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.159 5.819 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.747 5.336 3.036 1.00 0.00 H new ATOM 1309 N SER A 98 -3.632 6.583 3.283 1.00 0.00 N ATOM 1310 CA SER A 98 -4.529 7.664 2.926 1.00 0.00 C ATOM 1311 C SER A 98 -4.971 8.405 4.180 1.00 0.00 C ATOM 1312 O SER A 98 -5.143 7.797 5.235 1.00 0.00 O ATOM 1313 CB SER A 98 -5.734 7.098 2.179 1.00 0.00 C ATOM 1314 OG SER A 98 -5.368 6.809 0.849 1.00 0.00 O ATOM 0 H SER A 98 -4.058 5.855 3.856 1.00 0.00 H new ATOM 0 HA SER A 98 -4.013 8.370 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.091 6.195 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.555 7.815 2.194 1.00 0.00 H new ATOM 0 HG SER A 98 -6.141 6.444 0.369 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.155 9.722 4.063 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.575 10.537 5.185 1.00 0.00 C ATOM 1322 C ASP A 99 -7.070 10.808 5.094 1.00 0.00 C ATOM 1323 O ASP A 99 -7.797 10.067 4.437 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.787 11.844 5.186 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.473 12.893 4.322 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.780 12.557 3.158 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.678 14.011 4.842 1.00 0.00 O ATOM 0 H ASP A 99 -5.017 10.240 3.195 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.378 10.009 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.691 12.214 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.778 11.665 4.815 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.527 11.874 5.755 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.930 12.235 5.747 1.00 0.00 C ATOM 1334 C ALA A 100 -9.362 12.591 4.331 1.00 0.00 C ATOM 1335 O ALA A 100 -10.382 12.102 3.850 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.157 13.411 6.692 1.00 0.00 C ATOM 0 H ALA A 100 -6.936 12.499 6.302 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.529 11.391 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.212 13.684 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.860 13.129 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.561 14.262 6.363 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.582 13.444 3.664 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.887 13.861 2.310 1.00 0.00 C ATOM 1344 C ALA A 101 -8.643 12.707 1.348 1.00 0.00 C ATOM 1345 O ALA A 101 -9.243 12.652 0.277 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.023 15.064 1.942 1.00 0.00 C ATOM 0 H ALA A 101 -7.732 13.857 4.049 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.936 14.149 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.252 15.378 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.229 15.884 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.970 14.790 2.009 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.759 11.783 1.731 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.444 10.639 0.899 1.00 0.00 C ATOM 1354 C GLY A 102 -6.166 10.895 0.112 1.00 0.00 C ATOM 1355 O GLY A 102 -6.094 10.590 -1.076 1.00 0.00 O ATOM 0 H GLY A 102 -7.252 11.813 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.325 9.751 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.268 10.441 0.213 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.156 11.457 0.779 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.889 11.750 0.140 1.00 0.00 C ATOM 1361 C ASN A 103 -2.791 10.886 0.744 1.00 0.00 C ATOM 1362 O ASN A 103 -2.952 10.347 1.837 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.565 13.231 0.310 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.970 13.721 1.693 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.882 14.534 1.823 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.291 13.221 2.728 1.00 0.00 N ATOM 0 H ASN A 103 -5.200 11.716 1.765 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.956 11.525 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.498 13.393 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.085 13.811 -0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.522 13.512 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.541 12.548 2.569 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.671 10.754 0.030 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.556 9.957 0.502 1.00 0.00 C ATOM 1375 C GLY A 104 0.672 10.204 -0.362 1.00 0.00 C ATOM 1376 O GLY A 104 0.582 10.849 -1.405 1.00 0.00 O ATOM 0 H GLY A 104 -1.520 11.193 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.335 10.207 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.820 8.900 0.478 1.00 0.00 H new ATOM 1380 N PRO A 105 1.824 9.688 0.074 1.00 0.00 N ATOM 1381 CA PRO A 105 3.090 9.819 -0.614 1.00 0.00 C ATOM 1382 C PRO A 105 3.087 8.943 -1.859 1.00 0.00 C ATOM 1383 O PRO A 105 2.224 8.081 -2.012 1.00 0.00 O ATOM 1384 CB PRO A 105 4.134 9.339 0.391 1.00 0.00 C ATOM 1385 CG PRO A 105 3.361 8.310 1.216 1.00 0.00 C ATOM 1386 CD PRO A 105 1.966 8.924 1.295 1.00 0.00 C ATOM 0 HA PRO A 105 3.291 10.839 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.998 8.895 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.506 10.156 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.347 7.333 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.799 8.171 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.199 8.153 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.864 9.561 2.174 1.00 0.00 H new ATOM 1394 N GLU A 106 4.056 9.166 -2.750 1.00 0.00 N ATOM 1395 CA GLU A 106 4.157 8.396 -3.974 1.00 0.00 C ATOM 1396 C GLU A 106 3.760 6.950 -3.712 1.00 0.00 C ATOM 1397 O GLU A 106 4.403 6.260 -2.923 1.00 0.00 O ATOM 1398 CB GLU A 106 5.584 8.477 -4.508 1.00 0.00 C ATOM 1399 CG GLU A 106 5.667 9.564 -5.575 1.00 0.00 C ATOM 1400 CD GLU A 106 7.113 9.964 -5.832 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.784 9.216 -6.577 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.520 11.009 -5.280 1.00 0.00 O ATOM 0 H GLU A 106 4.779 9.877 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 106 3.478 8.806 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.276 8.697 -3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.881 7.516 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.215 9.206 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.095 10.436 -5.257 1.00 0.00 H new ATOM 1409 N GLY A 107 2.698 6.490 -4.378 1.00 0.00 N ATOM 1410 CA GLY A 107 2.226 5.130 -4.212 1.00 0.00 C ATOM 1411 C GLY A 107 3.404 4.180 -4.041 1.00 0.00 C ATOM 1412 O GLY A 107 4.515 4.481 -4.472 1.00 0.00 O ATOM 0 H GLY A 107 2.154 7.047 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.571 5.068 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.634 4.835 -5.079 1.00 0.00 H new ATOM 1416 N VAL A 108 3.157 3.030 -3.409 1.00 0.00 N ATOM 1417 CA VAL A 108 4.194 2.044 -3.183 1.00 0.00 C ATOM 1418 C VAL A 108 3.994 0.863 -4.122 1.00 0.00 C ATOM 1419 O VAL A 108 3.136 0.015 -3.882 1.00 0.00 O ATOM 1420 CB VAL A 108 4.156 1.590 -1.727 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.838 0.231 -1.599 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.886 2.610 -0.858 1.00 0.00 C ATOM 0 H VAL A 108 2.241 2.766 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 108 5.170 2.484 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 108 3.120 1.508 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.811 -0.093 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.317 -0.498 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.874 0.312 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.860 2.287 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.922 2.692 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.398 3.581 -0.949 1.00 0.00 H new ATOM 1432 N ALA A 109 4.788 0.808 -5.193 1.00 0.00 N ATOM 1433 CA ALA A 109 4.694 -0.267 -6.161 1.00 0.00 C ATOM 1434 C ALA A 109 5.422 -1.497 -5.638 1.00 0.00 C ATOM 1435 O ALA A 109 6.633 -1.463 -5.432 1.00 0.00 O ATOM 1436 CB ALA A 109 5.291 0.192 -7.489 1.00 0.00 C ATOM 0 H ALA A 109 5.504 1.503 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 109 3.648 -0.529 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.221 -0.615 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.741 1.059 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.338 0.460 -7.344 1.00 0.00 H new ATOM 1442 N ILE A 110 4.679 -2.585 -5.424 1.00 0.00 N ATOM 1443 CA ILE A 110 5.255 -3.820 -4.928 1.00 0.00 C ATOM 1444 C ILE A 110 4.813 -4.982 -5.806 1.00 0.00 C ATOM 1445 O ILE A 110 4.112 -4.784 -6.796 1.00 0.00 O ATOM 1446 CB ILE A 110 4.820 -4.038 -3.481 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.299 -4.136 -3.415 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.292 -2.865 -2.627 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.900 -5.140 -2.338 1.00 0.00 C ATOM 0 H ILE A 110 3.673 -2.628 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 110 6.343 -3.759 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 110 5.259 -4.962 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.870 -3.159 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.902 -4.446 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.982 -3.019 -1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.379 -2.795 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.853 -1.941 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.813 -5.210 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.317 -6.118 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.285 -4.810 -1.373 1.00 0.00 H new ATOM 1461 N SER A 111 5.225 -6.199 -5.441 1.00 0.00 N ATOM 1462 CA SER A 111 4.869 -7.383 -6.195 1.00 0.00 C ATOM 1463 C SER A 111 5.254 -8.630 -5.412 1.00 0.00 C ATOM 1464 O SER A 111 5.883 -8.536 -4.361 1.00 0.00 O ATOM 1465 CB SER A 111 5.575 -7.355 -7.548 1.00 0.00 C ATOM 1466 OG SER A 111 4.747 -7.950 -8.522 1.00 0.00 O ATOM 0 H SER A 111 5.807 -6.381 -4.623 1.00 0.00 H new ATOM 0 HA SER A 111 3.792 -7.402 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.805 -6.327 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.524 -7.888 -7.486 1.00 0.00 H new ATOM 0 HG SER A 111 5.199 -7.931 -9.391 1.00 0.00 H new ATOM 1472 N PHE A 112 4.874 -9.802 -5.926 1.00 0.00 N ATOM 1473 CA PHE A 112 5.182 -11.058 -5.273 1.00 0.00 C ATOM 1474 C PHE A 112 5.817 -12.017 -6.270 1.00 0.00 C ATOM 1475 O PHE A 112 5.150 -12.499 -7.182 1.00 0.00 O ATOM 1476 CB PHE A 112 3.905 -11.653 -4.688 1.00 0.00 C ATOM 1477 CG PHE A 112 3.385 -10.901 -3.486 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.002 -9.560 -3.611 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.287 -11.544 -2.247 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.522 -8.862 -2.497 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.807 -10.846 -1.132 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.425 -9.505 -1.257 1.00 0.00 C ATOM 0 H PHE A 112 4.351 -9.898 -6.796 1.00 0.00 H new ATOM 0 HA PHE A 112 5.891 -10.886 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.134 -11.668 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.093 -12.689 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.077 -9.064 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.582 -12.579 -2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.227 -7.828 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.731 -11.342 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.055 -8.966 -0.397 1.00 0.00 H new ATOM 1492 N ASN A 113 7.112 -12.293 -6.095 1.00 0.00 N ATOM 1493 CA ASN A 113 7.827 -13.191 -6.979 1.00 0.00 C ATOM 1494 C ASN A 113 9.323 -13.092 -6.720 1.00 0.00 C ATOM 1495 O ASN A 113 9.953 -14.069 -6.318 1.00 0.00 O ATOM 1496 CB ASN A 113 7.505 -12.839 -8.428 1.00 0.00 C ATOM 1497 CG ASN A 113 7.640 -11.342 -8.667 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.732 -10.852 -8.945 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.525 -10.616 -8.559 1.00 0.00 N ATOM 0 H ASN A 113 7.680 -11.901 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 113 7.514 -14.218 -6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.176 -13.380 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.491 -13.159 -8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.556 -9.608 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.642 -11.070 -8.326 1.00 0.00 H new TER 1506 ASN A 113