USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 937 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 87 THR OG1 : rot -70:sc= 1.1 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.94 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.894 K(o=0.6,f=-8.1!) USER MOD Set 2.2: A 52 GLN : amide:sc= -0.297 K(o=0.6,f=-2.2!) USER MOD Set 3.1: A 8 THR OG1 : rot 54:sc= 0.937 USER MOD Set 3.2: A 11 THR OG1 : rot -120:sc= 0.84 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.413 (180deg=-0.741!) USER MOD Single : A 17 TYR OH : rot -158:sc= 1.28 USER MOD Single : A 22 CYS SG : rot -117:sc= 0.275 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.15) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc=-0.00493 (180deg=-0.0921) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.14) USER MOD Single : A 41 GLN : amide:sc= -1.01 K(o=-1,f=-6!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 44 THR OG1 : rot -142:sc= 0.124 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 46 GLN : amide:sc= -1.84 K(o=-1.8,f=-5.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 80:sc= -0.229 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -122:sc= 1.29 USER MOD Single : A 73 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00758 USER MOD Single : A 84 SER OG : rot -154:sc= 0.125 USER MOD Single : A 86 TYR OH : rot -172:sc= -4.16! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 102 SER OG : rot -38:sc= 0.379 USER MOD Single : A 104 CYS SG : rot 151:sc= 0.325 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 1.06 K(o=1.1,f=-6.2!) USER MOD Single : A 114 SER OG : rot 6:sc= 0.699 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.879 14.757 -17.192 1.00 0.00 N ATOM 2 CA ALA A 1 0.244 13.818 -16.278 1.00 0.00 C ATOM 3 C ALA A 1 -0.297 12.633 -17.062 1.00 0.00 C ATOM 4 O ALA A 1 -1.276 12.752 -17.792 1.00 0.00 O ATOM 5 CB ALA A 1 -0.869 14.507 -15.490 1.00 0.00 C ATOM 0 H1 ALA A 1 1.249 15.567 -16.655 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.661 14.284 -17.688 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.181 15.091 -17.887 1.00 0.00 H new ATOM 0 HA ALA A 1 0.983 13.457 -15.563 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.332 13.790 -14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.450 15.332 -14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.620 14.891 -16.181 1.00 0.00 H new ATOM 13 N ASP A 2 0.385 11.517 -16.953 1.00 0.00 N ATOM 14 CA ASP A 2 0.007 10.272 -17.632 1.00 0.00 C ATOM 15 C ASP A 2 0.105 9.123 -16.663 1.00 0.00 C ATOM 16 O ASP A 2 -0.661 8.169 -16.734 1.00 0.00 O ATOM 17 CB ASP A 2 0.931 9.962 -18.833 1.00 0.00 C ATOM 18 CG ASP A 2 0.813 10.931 -19.983 1.00 0.00 C ATOM 19 OD1 ASP A 2 1.542 11.940 -20.005 1.00 0.00 O ATOM 20 OD2 ASP A 2 0.010 10.695 -20.903 1.00 0.00 O ATOM 0 H ASP A 2 1.229 11.434 -16.387 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.012 10.399 -17.997 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.964 9.954 -18.487 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.708 8.959 -19.196 1.00 0.00 H new ATOM 25 N GLU A 3 1.074 9.224 -15.768 1.00 0.00 N ATOM 26 CA GLU A 3 1.347 8.216 -14.754 1.00 0.00 C ATOM 27 C GLU A 3 0.250 8.238 -13.682 1.00 0.00 C ATOM 28 O GLU A 3 0.100 9.242 -12.978 1.00 0.00 O ATOM 29 CB GLU A 3 2.696 8.544 -14.121 1.00 0.00 C ATOM 30 CG GLU A 3 3.832 8.585 -15.128 1.00 0.00 C ATOM 31 CD GLU A 3 5.056 9.261 -14.587 1.00 0.00 C ATOM 32 OE1 GLU A 3 5.134 10.522 -14.661 1.00 0.00 O ATOM 33 OE2 GLU A 3 5.967 8.578 -14.098 1.00 0.00 O ATOM 0 H GLU A 3 1.705 10.024 -15.724 1.00 0.00 H new ATOM 0 HA GLU A 3 1.367 7.223 -15.203 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.630 9.509 -13.618 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.922 7.801 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.085 7.568 -15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.499 9.107 -16.025 1.00 0.00 H new ATOM 40 N PRO A 4 -0.544 7.170 -13.550 1.00 0.00 N ATOM 41 CA PRO A 4 -1.618 7.120 -12.581 1.00 0.00 C ATOM 42 C PRO A 4 -1.164 6.591 -11.218 1.00 0.00 C ATOM 43 O PRO A 4 0.022 6.316 -10.996 1.00 0.00 O ATOM 44 CB PRO A 4 -2.632 6.155 -13.212 1.00 0.00 C ATOM 45 CG PRO A 4 -1.914 5.461 -14.336 1.00 0.00 C ATOM 46 CD PRO A 4 -0.473 5.928 -14.320 1.00 0.00 C ATOM 0 HA PRO A 4 -2.018 8.114 -12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.992 5.435 -12.477 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.504 6.695 -13.582 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.967 4.379 -14.213 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.382 5.697 -15.292 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.184 5.197 -13.849 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.091 6.097 -15.327 1.00 0.00 H new ATOM 54 N ALA A 5 -2.124 6.432 -10.319 1.00 0.00 N ATOM 55 CA ALA A 5 -1.871 5.937 -8.976 1.00 0.00 C ATOM 56 C ALA A 5 -1.474 4.468 -8.992 1.00 0.00 C ATOM 57 O ALA A 5 -0.821 3.983 -8.060 1.00 0.00 O ATOM 58 CB ALA A 5 -3.091 6.151 -8.090 1.00 0.00 C ATOM 0 H ALA A 5 -3.105 6.644 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.036 6.503 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.884 5.775 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.320 7.215 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.943 5.617 -8.509 1.00 0.00 H new ATOM 64 N TYR A 6 -1.842 3.768 -10.055 1.00 0.00 N ATOM 65 CA TYR A 6 -1.514 2.391 -10.183 1.00 0.00 C ATOM 66 C TYR A 6 -0.917 2.115 -11.553 1.00 0.00 C ATOM 67 O TYR A 6 -1.446 2.560 -12.577 1.00 0.00 O ATOM 68 CB TYR A 6 -2.704 1.452 -9.849 1.00 0.00 C ATOM 69 CG TYR A 6 -3.878 1.476 -10.815 1.00 0.00 C ATOM 70 CD1 TYR A 6 -4.853 2.466 -10.749 1.00 0.00 C ATOM 71 CD2 TYR A 6 -4.013 0.488 -11.784 1.00 0.00 C ATOM 72 CE1 TYR A 6 -5.926 2.465 -11.623 1.00 0.00 C ATOM 73 CE2 TYR A 6 -5.079 0.483 -12.658 1.00 0.00 C ATOM 74 CZ TYR A 6 -6.030 1.472 -12.577 1.00 0.00 C ATOM 75 OH TYR A 6 -7.098 1.469 -13.457 1.00 0.00 O ATOM 0 H TYR A 6 -2.372 4.152 -10.837 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.755 2.162 -9.435 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -2.328 0.430 -9.794 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.073 1.709 -8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.772 3.246 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.268 -0.291 -11.853 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.678 3.237 -11.559 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.166 -0.294 -13.403 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.020 0.704 -14.064 1.00 0.00 H new ATOM 85 N LEU A 7 0.208 1.448 -11.546 1.00 0.00 N ATOM 86 CA LEU A 7 0.912 1.061 -12.756 1.00 0.00 C ATOM 87 C LEU A 7 0.497 -0.356 -13.131 1.00 0.00 C ATOM 88 O LEU A 7 -0.387 -0.926 -12.488 1.00 0.00 O ATOM 89 CB LEU A 7 2.433 1.163 -12.559 1.00 0.00 C ATOM 90 CG LEU A 7 2.978 2.559 -12.186 1.00 0.00 C ATOM 91 CD1 LEU A 7 4.483 2.512 -11.947 1.00 0.00 C ATOM 92 CD2 LEU A 7 2.648 3.581 -13.269 1.00 0.00 C ATOM 0 H LEU A 7 0.674 1.150 -10.689 1.00 0.00 H new ATOM 0 HA LEU A 7 0.648 1.739 -13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.726 0.461 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.920 0.839 -13.478 1.00 0.00 H new ATOM 0 HG LEU A 7 2.491 2.867 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.841 3.508 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.700 1.823 -11.131 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.985 2.172 -12.853 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.043 4.556 -12.982 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.098 3.270 -14.212 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.567 3.648 -13.388 1.00 0.00 H new ATOM 104 N THR A 8 1.124 -0.939 -14.131 1.00 0.00 N ATOM 105 CA THR A 8 0.662 -2.209 -14.647 1.00 0.00 C ATOM 106 C THR A 8 1.775 -3.261 -14.736 1.00 0.00 C ATOM 107 O THR A 8 2.956 -2.919 -14.769 1.00 0.00 O ATOM 108 CB THR A 8 0.033 -1.966 -16.029 1.00 0.00 C ATOM 109 OG1 THR A 8 0.983 -1.276 -16.883 1.00 0.00 O ATOM 110 CG2 THR A 8 -1.202 -1.095 -15.872 1.00 0.00 C ATOM 0 H THR A 8 1.947 -0.558 -14.598 1.00 0.00 H new ATOM 0 HA THR A 8 -0.074 -2.614 -13.953 1.00 0.00 H new ATOM 0 HB THR A 8 -0.236 -2.924 -16.474 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.825 -1.777 -16.908 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.651 -0.920 -16.850 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.922 -1.598 -15.227 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.920 -0.141 -15.427 1.00 0.00 H new ATOM 118 N VAL A 9 1.396 -4.540 -14.755 1.00 0.00 N ATOM 119 CA VAL A 9 2.372 -5.624 -14.882 1.00 0.00 C ATOM 120 C VAL A 9 2.906 -5.731 -16.274 1.00 0.00 C ATOM 121 O VAL A 9 2.229 -5.384 -17.245 1.00 0.00 O ATOM 122 CB VAL A 9 1.874 -7.023 -14.428 1.00 0.00 C ATOM 123 CG1 VAL A 9 1.886 -7.141 -12.930 1.00 0.00 C ATOM 124 CG2 VAL A 9 0.492 -7.338 -14.984 1.00 0.00 C ATOM 0 H VAL A 9 0.427 -4.850 -14.685 1.00 0.00 H new ATOM 0 HA VAL A 9 3.162 -5.333 -14.190 1.00 0.00 H new ATOM 0 HB VAL A 9 2.567 -7.760 -14.834 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.533 -8.131 -12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.902 -6.996 -12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.232 -6.382 -12.500 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.179 -8.325 -14.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.220 -6.591 -14.634 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.526 -7.324 -16.073 1.00 0.00 H new ATOM 134 N GLY A 10 4.131 -6.161 -16.361 1.00 0.00 N ATOM 135 CA GLY A 10 4.773 -6.335 -17.638 1.00 0.00 C ATOM 136 C GLY A 10 5.493 -5.091 -18.083 1.00 0.00 C ATOM 137 O GLY A 10 6.293 -5.128 -19.018 1.00 0.00 O ATOM 0 H GLY A 10 4.712 -6.400 -15.558 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.481 -7.161 -17.578 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.027 -6.608 -18.384 1.00 0.00 H new ATOM 141 N THR A 11 5.229 -3.998 -17.413 1.00 0.00 N ATOM 142 CA THR A 11 5.816 -2.765 -17.734 1.00 0.00 C ATOM 143 C THR A 11 7.234 -2.714 -17.162 1.00 0.00 C ATOM 144 O THR A 11 7.484 -3.139 -16.028 1.00 0.00 O ATOM 145 CB THR A 11 4.946 -1.656 -17.154 1.00 0.00 C ATOM 146 OG1 THR A 11 3.575 -1.926 -17.506 1.00 0.00 O ATOM 147 CG2 THR A 11 5.338 -0.317 -17.720 1.00 0.00 C ATOM 0 H THR A 11 4.588 -3.961 -16.621 1.00 0.00 H new ATOM 0 HA THR A 11 5.885 -2.635 -18.814 1.00 0.00 H new ATOM 0 HB THR A 11 5.076 -1.628 -16.072 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.220 -1.181 -18.035 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.704 0.459 -17.292 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.380 -0.110 -17.476 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.215 -0.330 -18.803 1.00 0.00 H new ATOM 155 N ASP A 12 8.142 -2.242 -17.953 1.00 0.00 N ATOM 156 CA ASP A 12 9.531 -2.151 -17.572 1.00 0.00 C ATOM 157 C ASP A 12 9.781 -0.717 -17.156 1.00 0.00 C ATOM 158 O ASP A 12 9.512 0.213 -17.921 1.00 0.00 O ATOM 159 CB ASP A 12 10.404 -2.551 -18.764 1.00 0.00 C ATOM 160 CG ASP A 12 11.856 -2.788 -18.416 1.00 0.00 C ATOM 161 OD1 ASP A 12 12.197 -3.924 -17.980 1.00 0.00 O ATOM 162 OD2 ASP A 12 12.688 -1.901 -18.651 1.00 0.00 O ATOM 0 H ASP A 12 7.947 -1.902 -18.895 1.00 0.00 H new ATOM 0 HA ASP A 12 9.775 -2.820 -16.747 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.996 -3.458 -19.211 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.346 -1.769 -19.521 1.00 0.00 H new ATOM 167 N VAL A 13 10.210 -0.523 -15.937 1.00 0.00 N ATOM 168 CA VAL A 13 10.369 0.802 -15.374 1.00 0.00 C ATOM 169 C VAL A 13 11.683 0.905 -14.641 1.00 0.00 C ATOM 170 O VAL A 13 12.512 0.008 -14.688 1.00 0.00 O ATOM 171 CB VAL A 13 9.204 1.213 -14.412 1.00 0.00 C ATOM 172 CG1 VAL A 13 7.848 1.103 -15.071 1.00 0.00 C ATOM 173 CG2 VAL A 13 9.240 0.455 -13.103 1.00 0.00 C ATOM 0 H VAL A 13 10.461 -1.279 -15.300 1.00 0.00 H new ATOM 0 HA VAL A 13 10.348 1.493 -16.216 1.00 0.00 H new ATOM 0 HB VAL A 13 9.367 2.265 -14.179 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.074 1.399 -14.363 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.812 1.758 -15.942 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.678 0.073 -15.384 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.411 0.778 -12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.152 -0.614 -13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.182 0.654 -12.593 1.00 0.00 H new ATOM 183 N SER A 14 11.918 2.015 -14.052 1.00 0.00 N ATOM 184 CA SER A 14 13.092 2.186 -13.273 1.00 0.00 C ATOM 185 C SER A 14 12.708 2.592 -11.849 1.00 0.00 C ATOM 186 O SER A 14 11.748 3.308 -11.656 1.00 0.00 O ATOM 187 CB SER A 14 13.993 3.205 -13.948 1.00 0.00 C ATOM 188 OG SER A 14 14.215 2.813 -15.299 1.00 0.00 O ATOM 0 H SER A 14 11.307 2.831 -14.093 1.00 0.00 H new ATOM 0 HA SER A 14 13.648 1.251 -13.201 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.534 4.193 -13.914 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.942 3.277 -13.417 1.00 0.00 H new ATOM 0 HG SER A 14 14.795 3.469 -15.739 1.00 0.00 H new ATOM 194 N ALA A 15 13.417 2.082 -10.889 1.00 0.00 N ATOM 195 CA ALA A 15 13.211 2.388 -9.496 1.00 0.00 C ATOM 196 C ALA A 15 14.362 3.264 -9.057 1.00 0.00 C ATOM 197 O ALA A 15 15.491 3.049 -9.488 1.00 0.00 O ATOM 198 CB ALA A 15 13.188 1.095 -8.682 1.00 0.00 C ATOM 0 H ALA A 15 14.178 1.422 -11.052 1.00 0.00 H new ATOM 0 HA ALA A 15 12.261 2.900 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.032 1.331 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.378 0.457 -9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.138 0.574 -8.800 1.00 0.00 H new ATOM 204 N LYS A 16 14.100 4.258 -8.262 1.00 0.00 N ATOM 205 CA LYS A 16 15.153 5.148 -7.854 1.00 0.00 C ATOM 206 C LYS A 16 15.722 4.892 -6.485 1.00 0.00 C ATOM 207 O LYS A 16 15.008 4.604 -5.523 1.00 0.00 O ATOM 208 CB LYS A 16 14.884 6.648 -8.166 1.00 0.00 C ATOM 209 CG LYS A 16 13.476 7.178 -7.899 1.00 0.00 C ATOM 210 CD LYS A 16 13.349 8.073 -6.649 1.00 0.00 C ATOM 211 CE LYS A 16 13.510 7.318 -5.346 1.00 0.00 C ATOM 212 NZ LYS A 16 13.331 8.195 -4.176 1.00 0.00 N ATOM 0 H LYS A 16 13.177 4.474 -7.885 1.00 0.00 H new ATOM 0 HA LYS A 16 15.974 4.875 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.585 7.245 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.116 6.821 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.145 7.744 -8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.798 6.331 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.101 8.861 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.374 8.561 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.784 6.506 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.500 6.863 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.645 7.698 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.895 9.060 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.326 8.447 -4.082 1.00 0.00 H new ATOM 226 N TYR A 17 17.019 4.960 -6.438 1.00 0.00 N ATOM 227 CA TYR A 17 17.812 4.784 -5.264 1.00 0.00 C ATOM 228 C TYR A 17 18.785 5.920 -5.208 1.00 0.00 C ATOM 229 O TYR A 17 19.514 6.135 -6.161 1.00 0.00 O ATOM 230 CB TYR A 17 18.595 3.470 -5.332 1.00 0.00 C ATOM 231 CG TYR A 17 17.732 2.251 -5.422 1.00 0.00 C ATOM 232 CD1 TYR A 17 17.158 1.713 -4.287 1.00 0.00 C ATOM 233 CD2 TYR A 17 17.487 1.643 -6.645 1.00 0.00 C ATOM 234 CE1 TYR A 17 16.356 0.603 -4.358 1.00 0.00 C ATOM 235 CE2 TYR A 17 16.687 0.533 -6.738 1.00 0.00 C ATOM 236 CZ TYR A 17 16.119 0.011 -5.577 1.00 0.00 C ATOM 237 OH TYR A 17 15.315 -1.102 -5.635 1.00 0.00 O ATOM 0 H TYR A 17 17.581 5.151 -7.267 1.00 0.00 H new ATOM 0 HA TYR A 17 17.169 4.758 -4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 17 19.258 3.498 -6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.228 3.390 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.344 2.174 -3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.934 2.051 -7.539 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.913 0.196 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.500 0.070 -7.696 1.00 0.00 H new ATOM 0 HH TYR A 17 15.510 -1.604 -6.453 1.00 0.00 H new ATOM 247 N ARG A 18 18.737 6.681 -4.123 1.00 0.00 N ATOM 248 CA ARG A 18 19.660 7.812 -3.861 1.00 0.00 C ATOM 249 C ARG A 18 19.514 8.887 -4.950 1.00 0.00 C ATOM 250 O ARG A 18 20.467 9.612 -5.269 1.00 0.00 O ATOM 251 CB ARG A 18 21.129 7.323 -3.806 1.00 0.00 C ATOM 252 CG ARG A 18 21.369 6.095 -2.931 1.00 0.00 C ATOM 253 CD ARG A 18 20.879 6.292 -1.513 1.00 0.00 C ATOM 254 NE ARG A 18 21.059 5.080 -0.721 1.00 0.00 N ATOM 255 CZ ARG A 18 20.458 4.818 0.437 1.00 0.00 C ATOM 256 NH1 ARG A 18 19.671 5.724 1.017 1.00 0.00 N ATOM 257 NH2 ARG A 18 20.658 3.656 1.021 1.00 0.00 N ATOM 0 H ARG A 18 18.052 6.540 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 18 19.397 8.243 -2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.459 7.098 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.754 8.138 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.864 5.235 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 18 22.435 5.866 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.420 7.117 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.825 6.569 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 18 21.699 4.374 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.524 6.630 0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.216 5.511 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.269 2.965 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.202 3.446 1.909 1.00 0.00 H new ATOM 271 N GLY A 19 18.304 9.013 -5.479 1.00 0.00 N ATOM 272 CA GLY A 19 18.041 9.948 -6.558 1.00 0.00 C ATOM 273 C GLY A 19 18.668 9.509 -7.876 1.00 0.00 C ATOM 274 O GLY A 19 19.018 10.338 -8.708 1.00 0.00 O ATOM 0 H GLY A 19 17.490 8.478 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.964 10.053 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.426 10.930 -6.285 1.00 0.00 H new ATOM 278 N ALA A 20 18.812 8.215 -8.049 1.00 0.00 N ATOM 279 CA ALA A 20 19.388 7.628 -9.247 1.00 0.00 C ATOM 280 C ALA A 20 18.542 6.449 -9.625 1.00 0.00 C ATOM 281 O ALA A 20 17.938 5.845 -8.765 1.00 0.00 O ATOM 282 CB ALA A 20 20.810 7.184 -8.987 1.00 0.00 C ATOM 0 H ALA A 20 18.529 7.526 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 20 19.410 8.361 -10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.226 6.747 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.411 8.043 -8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.819 6.441 -8.189 1.00 0.00 H new ATOM 288 N PHE A 21 18.492 6.105 -10.870 1.00 0.00 N ATOM 289 CA PHE A 21 17.586 5.063 -11.296 1.00 0.00 C ATOM 290 C PHE A 21 18.290 3.733 -11.533 1.00 0.00 C ATOM 291 O PHE A 21 19.450 3.693 -11.937 1.00 0.00 O ATOM 292 CB PHE A 21 16.827 5.496 -12.556 1.00 0.00 C ATOM 293 CG PHE A 21 16.071 6.785 -12.395 1.00 0.00 C ATOM 294 CD1 PHE A 21 14.821 6.799 -11.810 1.00 0.00 C ATOM 295 CD2 PHE A 21 16.619 7.985 -12.828 1.00 0.00 C ATOM 296 CE1 PHE A 21 14.129 7.981 -11.654 1.00 0.00 C ATOM 297 CE2 PHE A 21 15.932 9.169 -12.674 1.00 0.00 C ATOM 298 CZ PHE A 21 14.685 9.166 -12.086 1.00 0.00 C ATOM 0 H PHE A 21 19.057 6.519 -11.611 1.00 0.00 H new ATOM 0 HA PHE A 21 16.878 4.907 -10.482 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.535 5.601 -13.378 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.128 4.708 -12.837 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.380 5.873 -11.471 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.595 7.990 -13.291 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.152 7.979 -11.194 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.369 10.097 -13.013 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.144 10.092 -11.964 1.00 0.00 H new ATOM 308 N CYS A 22 17.597 2.675 -11.216 1.00 0.00 N ATOM 309 CA CYS A 22 17.995 1.319 -11.506 1.00 0.00 C ATOM 310 C CYS A 22 16.805 0.693 -12.221 1.00 0.00 C ATOM 311 O CYS A 22 15.676 0.982 -11.849 1.00 0.00 O ATOM 312 CB CYS A 22 18.299 0.572 -10.202 1.00 0.00 C ATOM 313 SG CYS A 22 18.951 -1.103 -10.423 1.00 0.00 S ATOM 0 H CYS A 22 16.703 2.733 -10.729 1.00 0.00 H new ATOM 0 HA CYS A 22 18.897 1.275 -12.117 1.00 0.00 H new ATOM 0 HB2 CYS A 22 19.018 1.154 -9.625 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.386 0.516 -9.610 1.00 0.00 H new ATOM 0 HG CYS A 22 18.121 -1.963 -9.911 1.00 0.00 H new ATOM 319 N GLU A 23 17.005 -0.111 -13.251 1.00 0.00 N ATOM 320 CA GLU A 23 15.839 -0.621 -13.971 1.00 0.00 C ATOM 321 C GLU A 23 15.241 -1.830 -13.275 1.00 0.00 C ATOM 322 O GLU A 23 15.942 -2.564 -12.580 1.00 0.00 O ATOM 323 CB GLU A 23 16.104 -0.935 -15.460 1.00 0.00 C ATOM 324 CG GLU A 23 17.015 -2.125 -15.738 1.00 0.00 C ATOM 325 CD GLU A 23 18.473 -1.840 -15.488 1.00 0.00 C ATOM 326 OE1 GLU A 23 19.144 -1.311 -16.391 1.00 0.00 O ATOM 327 OE2 GLU A 23 18.976 -2.116 -14.392 1.00 0.00 O ATOM 0 H GLU A 23 17.914 -0.416 -13.599 1.00 0.00 H new ATOM 0 HA GLU A 23 15.118 0.196 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.147 -1.113 -15.950 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.541 -0.051 -15.925 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.705 -2.963 -15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.887 -2.436 -16.775 1.00 0.00 H new ATOM 334 N ALA A 24 13.964 -2.024 -13.458 1.00 0.00 N ATOM 335 CA ALA A 24 13.251 -3.128 -12.874 1.00 0.00 C ATOM 336 C ALA A 24 11.946 -3.319 -13.599 1.00 0.00 C ATOM 337 O ALA A 24 11.311 -2.358 -14.027 1.00 0.00 O ATOM 338 CB ALA A 24 13.004 -2.899 -11.403 1.00 0.00 C ATOM 0 H ALA A 24 13.380 -1.410 -14.026 1.00 0.00 H new ATOM 0 HA ALA A 24 13.858 -4.028 -12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.463 -3.750 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.958 -2.788 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.412 -1.993 -11.270 1.00 0.00 H new ATOM 344 N LYS A 25 11.536 -4.518 -13.724 1.00 0.00 N ATOM 345 CA LYS A 25 10.355 -4.809 -14.479 1.00 0.00 C ATOM 346 C LYS A 25 9.221 -5.167 -13.534 1.00 0.00 C ATOM 347 O LYS A 25 9.391 -5.992 -12.672 1.00 0.00 O ATOM 348 CB LYS A 25 10.658 -5.946 -15.434 1.00 0.00 C ATOM 349 CG LYS A 25 9.508 -6.322 -16.343 1.00 0.00 C ATOM 350 CD LYS A 25 9.820 -7.587 -17.106 1.00 0.00 C ATOM 351 CE LYS A 25 8.685 -7.966 -18.026 1.00 0.00 C ATOM 352 NZ LYS A 25 8.911 -9.273 -18.668 1.00 0.00 N ATOM 0 H LYS A 25 11.996 -5.331 -13.315 1.00 0.00 H new ATOM 0 HA LYS A 25 10.045 -3.938 -15.057 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.515 -5.670 -16.048 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.949 -6.823 -14.855 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.602 -6.462 -15.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.310 -5.509 -17.042 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.731 -7.448 -17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.010 -8.400 -16.405 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.754 -7.996 -17.460 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.568 -7.200 -18.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.109 -9.497 -19.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.786 -9.238 -19.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.997 -10.008 -17.938 1.00 0.00 H new ATOM 366 N ILE A 26 8.087 -4.534 -13.685 1.00 0.00 N ATOM 367 CA ILE A 26 6.950 -4.771 -12.810 1.00 0.00 C ATOM 368 C ILE A 26 6.442 -6.211 -12.938 1.00 0.00 C ATOM 369 O ILE A 26 5.962 -6.631 -14.003 1.00 0.00 O ATOM 370 CB ILE A 26 5.800 -3.769 -13.071 1.00 0.00 C ATOM 371 CG1 ILE A 26 6.342 -2.326 -13.056 1.00 0.00 C ATOM 372 CG2 ILE A 26 4.727 -3.941 -12.012 1.00 0.00 C ATOM 373 CD1 ILE A 26 5.302 -1.250 -13.274 1.00 0.00 C ATOM 0 H ILE A 26 7.918 -3.840 -14.413 1.00 0.00 H new ATOM 0 HA ILE A 26 7.300 -4.617 -11.789 1.00 0.00 H new ATOM 0 HB ILE A 26 5.366 -3.965 -14.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.832 -2.148 -12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.106 -2.233 -13.827 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.917 -3.235 -12.196 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.337 -4.958 -12.051 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.155 -3.754 -11.027 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.780 -0.271 -13.246 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.827 -1.394 -14.244 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.548 -1.308 -12.489 1.00 0.00 H new ATOM 385 N LYS A 27 6.581 -6.950 -11.859 1.00 0.00 N ATOM 386 CA LYS A 27 6.210 -8.344 -11.793 1.00 0.00 C ATOM 387 C LYS A 27 4.855 -8.512 -11.106 1.00 0.00 C ATOM 388 O LYS A 27 4.016 -9.284 -11.558 1.00 0.00 O ATOM 389 CB LYS A 27 7.316 -9.133 -11.066 1.00 0.00 C ATOM 390 CG LYS A 27 7.034 -10.611 -10.865 1.00 0.00 C ATOM 391 CD LYS A 27 8.220 -11.315 -10.215 1.00 0.00 C ATOM 392 CE LYS A 27 7.930 -12.788 -9.987 1.00 0.00 C ATOM 393 NZ LYS A 27 9.106 -13.518 -9.454 1.00 0.00 N ATOM 0 H LYS A 27 6.964 -6.589 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 27 6.108 -8.740 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.243 -9.030 -11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.484 -8.676 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.149 -10.733 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.814 -11.076 -11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.100 -11.209 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.453 -10.837 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.097 -12.888 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.617 -13.244 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.828 -14.488 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.853 -13.548 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.463 -13.031 -8.607 1.00 0.00 H new ATOM 407 N THR A 28 4.642 -7.786 -10.041 1.00 0.00 N ATOM 408 CA THR A 28 3.385 -7.843 -9.336 1.00 0.00 C ATOM 409 C THR A 28 2.884 -6.423 -9.123 1.00 0.00 C ATOM 410 O THR A 28 3.665 -5.523 -8.786 1.00 0.00 O ATOM 411 CB THR A 28 3.549 -8.508 -7.958 1.00 0.00 C ATOM 412 OG1 THR A 28 4.377 -9.682 -8.067 1.00 0.00 O ATOM 413 CG2 THR A 28 2.193 -8.910 -7.382 1.00 0.00 C ATOM 0 H THR A 28 5.325 -7.144 -9.639 1.00 0.00 H new ATOM 0 HA THR A 28 2.682 -8.429 -9.928 1.00 0.00 H new ATOM 0 HB THR A 28 4.019 -7.784 -7.292 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.476 -10.096 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.336 -9.378 -6.408 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.568 -8.024 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.706 -9.615 -8.055 1.00 0.00 H new ATOM 421 N VAL A 29 1.619 -6.228 -9.330 1.00 0.00 N ATOM 422 CA VAL A 29 0.984 -4.950 -9.128 1.00 0.00 C ATOM 423 C VAL A 29 -0.032 -5.053 -8.043 1.00 0.00 C ATOM 424 O VAL A 29 -1.006 -5.805 -8.146 1.00 0.00 O ATOM 425 CB VAL A 29 0.310 -4.380 -10.413 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.581 -3.176 -10.091 1.00 0.00 C ATOM 427 CG2 VAL A 29 1.363 -3.942 -11.377 1.00 0.00 C ATOM 0 H VAL A 29 0.983 -6.959 -9.649 1.00 0.00 H new ATOM 0 HA VAL A 29 1.777 -4.255 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.305 -5.170 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.035 -2.804 -11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.364 -3.478 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.021 -2.388 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.891 -3.544 -12.275 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.978 -3.169 -10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.989 -4.793 -11.643 1.00 0.00 H new ATOM 437 N LYS A 30 0.207 -4.345 -7.009 1.00 0.00 N ATOM 438 CA LYS A 30 -0.711 -4.252 -5.946 1.00 0.00 C ATOM 439 C LYS A 30 -1.327 -2.878 -5.910 1.00 0.00 C ATOM 440 O LYS A 30 -0.774 -1.930 -5.331 1.00 0.00 O ATOM 441 CB LYS A 30 -0.087 -4.675 -4.614 1.00 0.00 C ATOM 442 CG LYS A 30 -0.213 -6.166 -4.322 1.00 0.00 C ATOM 443 CD LYS A 30 -1.675 -6.534 -4.082 1.00 0.00 C ATOM 444 CE LYS A 30 -1.875 -8.014 -3.839 1.00 0.00 C ATOM 445 NZ LYS A 30 -3.291 -8.318 -3.542 1.00 0.00 N ATOM 0 H LYS A 30 1.061 -3.804 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.521 -4.961 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.968 -4.402 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.560 -4.115 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.182 -6.743 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.383 -6.424 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.049 -5.976 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.268 -6.229 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.555 -8.576 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.248 -8.337 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.400 -9.339 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.586 -7.799 -2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.884 -8.030 -4.346 1.00 0.00 H new ATOM 459 N ARG A 31 -2.439 -2.755 -6.603 1.00 0.00 N ATOM 460 CA ARG A 31 -3.175 -1.521 -6.644 1.00 0.00 C ATOM 461 C ARG A 31 -4.067 -1.425 -5.432 1.00 0.00 C ATOM 462 O ARG A 31 -5.218 -1.868 -5.436 1.00 0.00 O ATOM 463 CB ARG A 31 -3.997 -1.358 -7.952 1.00 0.00 C ATOM 464 CG ARG A 31 -4.851 -2.570 -8.340 1.00 0.00 C ATOM 465 CD ARG A 31 -5.880 -2.235 -9.418 1.00 0.00 C ATOM 466 NE ARG A 31 -6.945 -1.324 -8.927 1.00 0.00 N ATOM 467 CZ ARG A 31 -8.114 -1.071 -9.565 1.00 0.00 C ATOM 468 NH1 ARG A 31 -8.394 -1.655 -10.720 1.00 0.00 N ATOM 469 NH2 ARG A 31 -9.017 -0.278 -9.009 1.00 0.00 N ATOM 0 H ARG A 31 -2.853 -3.509 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.454 -0.704 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.650 -0.492 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.310 -1.141 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.202 -3.369 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.365 -2.947 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.375 -1.773 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.334 -3.157 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.784 -0.850 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.727 -2.303 -11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.277 -1.457 -11.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.834 0.144 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.896 -0.089 -9.491 1.00 0.00 H new ATOM 483 N LEU A 32 -3.537 -0.903 -4.374 1.00 0.00 N ATOM 484 CA LEU A 32 -4.315 -0.789 -3.196 1.00 0.00 C ATOM 485 C LEU A 32 -4.152 0.554 -2.567 1.00 0.00 C ATOM 486 O LEU A 32 -3.045 0.977 -2.205 1.00 0.00 O ATOM 487 CB LEU A 32 -4.082 -1.933 -2.166 1.00 0.00 C ATOM 488 CG LEU A 32 -2.785 -1.963 -1.347 1.00 0.00 C ATOM 489 CD1 LEU A 32 -2.861 -3.077 -0.322 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.584 -2.169 -2.222 1.00 0.00 C ATOM 0 H LEU A 32 -2.581 -0.554 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.351 -0.898 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.913 -1.911 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.148 -2.877 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.678 -0.999 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.940 -3.099 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.707 -2.902 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.991 -4.032 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.684 -2.185 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.678 -3.117 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.516 -1.355 -2.944 1.00 0.00 H new ATOM 502 N VAL A 33 -5.222 1.253 -2.528 1.00 0.00 N ATOM 503 CA VAL A 33 -5.294 2.475 -1.823 1.00 0.00 C ATOM 504 C VAL A 33 -6.148 2.192 -0.631 1.00 0.00 C ATOM 505 O VAL A 33 -7.290 1.796 -0.795 1.00 0.00 O ATOM 506 CB VAL A 33 -5.937 3.605 -2.674 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.009 4.919 -1.901 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.185 3.795 -3.989 1.00 0.00 C ATOM 0 H VAL A 33 -6.090 0.987 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.296 2.824 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.958 3.298 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.464 5.686 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.611 4.780 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.003 5.231 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.656 4.592 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.149 4.061 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.213 2.868 -4.561 1.00 0.00 H new ATOM 518 N LYS A 34 -5.594 2.279 0.543 1.00 0.00 N ATOM 519 CA LYS A 34 -6.376 2.026 1.713 1.00 0.00 C ATOM 520 C LYS A 34 -7.144 3.261 2.087 1.00 0.00 C ATOM 521 O LYS A 34 -6.588 4.281 2.506 1.00 0.00 O ATOM 522 CB LYS A 34 -5.549 1.461 2.859 1.00 0.00 C ATOM 523 CG LYS A 34 -4.825 0.176 2.473 1.00 0.00 C ATOM 524 CD LYS A 34 -4.169 -0.485 3.662 1.00 0.00 C ATOM 525 CE LYS A 34 -3.362 -1.697 3.233 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.880 -2.479 4.387 1.00 0.00 N ATOM 0 H LYS A 34 -4.618 2.520 0.713 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.098 1.242 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.819 2.205 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.199 1.267 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.534 -0.517 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.069 0.398 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.519 0.229 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.931 -0.787 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.976 -2.333 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.511 -1.372 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.334 -3.297 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.273 -1.880 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.692 -2.812 4.944 1.00 0.00 H new ATOM 540 N VAL A 35 -8.402 3.174 1.865 1.00 0.00 N ATOM 541 CA VAL A 35 -9.307 4.239 2.051 1.00 0.00 C ATOM 542 C VAL A 35 -9.951 4.115 3.420 1.00 0.00 C ATOM 543 O VAL A 35 -10.355 3.024 3.832 1.00 0.00 O ATOM 544 CB VAL A 35 -10.405 4.192 0.957 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.286 5.410 1.016 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.798 4.048 -0.433 1.00 0.00 C ATOM 0 H VAL A 35 -8.847 2.318 1.534 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.772 5.186 1.981 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.019 3.313 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.046 5.348 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.770 5.462 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.682 6.304 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.594 4.018 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.145 4.897 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.220 3.125 -0.484 1.00 0.00 H new ATOM 556 N LYS A 36 -10.003 5.215 4.129 1.00 0.00 N ATOM 557 CA LYS A 36 -10.651 5.272 5.401 1.00 0.00 C ATOM 558 C LYS A 36 -12.070 5.615 5.133 1.00 0.00 C ATOM 559 O LYS A 36 -12.386 6.746 4.736 1.00 0.00 O ATOM 560 CB LYS A 36 -10.028 6.332 6.313 1.00 0.00 C ATOM 561 CG LYS A 36 -10.639 6.386 7.710 1.00 0.00 C ATOM 562 CD LYS A 36 -10.019 7.492 8.559 1.00 0.00 C ATOM 563 CE LYS A 36 -8.549 7.232 8.893 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.370 6.042 9.755 1.00 0.00 N ATOM 0 H LYS A 36 -9.591 6.099 3.831 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.548 4.316 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.959 6.137 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.135 7.309 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.714 6.549 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.498 5.425 8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.104 8.441 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.585 7.593 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.987 7.096 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.132 8.106 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.387 6.003 10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.014 6.103 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.583 5.183 9.209 1.00 0.00 H new ATOM 578 N VAL A 37 -12.894 4.671 5.288 1.00 0.00 N ATOM 579 CA VAL A 37 -14.271 4.823 5.009 1.00 0.00 C ATOM 580 C VAL A 37 -15.083 4.751 6.248 1.00 0.00 C ATOM 581 O VAL A 37 -14.706 4.108 7.221 1.00 0.00 O ATOM 582 CB VAL A 37 -14.781 3.804 3.965 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.358 4.220 2.575 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.243 2.416 4.270 1.00 0.00 C ATOM 0 H VAL A 37 -12.635 3.742 5.621 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.389 5.816 4.574 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.870 3.780 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.724 3.493 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.774 5.201 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.270 4.266 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.612 1.711 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.153 2.434 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.577 2.106 5.260 1.00 0.00 H new ATOM 594 N LEU A 38 -16.143 5.461 6.221 1.00 0.00 N ATOM 595 CA LEU A 38 -17.086 5.509 7.282 1.00 0.00 C ATOM 596 C LEU A 38 -18.374 4.981 6.709 1.00 0.00 C ATOM 597 O LEU A 38 -18.899 5.535 5.739 1.00 0.00 O ATOM 598 CB LEU A 38 -17.208 6.984 7.787 1.00 0.00 C ATOM 599 CG LEU A 38 -18.156 7.329 8.988 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.632 7.139 8.660 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.791 6.539 10.229 1.00 0.00 C ATOM 0 H LEU A 38 -16.394 6.052 5.428 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.797 4.910 8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.206 7.317 8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.526 7.591 6.939 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.005 8.390 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.234 7.394 9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.906 7.787 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.813 6.100 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.468 6.803 11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.875 5.473 10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.767 6.772 10.521 1.00 0.00 H new ATOM 613 N LEU A 39 -18.849 3.897 7.248 1.00 0.00 N ATOM 614 CA LEU A 39 -20.070 3.301 6.778 1.00 0.00 C ATOM 615 C LEU A 39 -21.230 4.142 7.242 1.00 0.00 C ATOM 616 O LEU A 39 -21.561 4.123 8.400 1.00 0.00 O ATOM 617 CB LEU A 39 -20.244 1.875 7.312 1.00 0.00 C ATOM 618 CG LEU A 39 -19.120 0.878 7.042 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.500 -0.494 7.546 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.781 0.823 5.577 1.00 0.00 C ATOM 0 H LEU A 39 -18.406 3.401 8.022 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.032 3.254 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.388 1.935 8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.163 1.468 6.890 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.234 1.217 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.688 -1.193 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.684 -0.449 8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.403 -0.831 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.977 0.104 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.661 0.516 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.459 1.809 5.241 1.00 0.00 H new ATOM 632 N LYS A 40 -21.835 4.871 6.344 1.00 0.00 N ATOM 633 CA LYS A 40 -22.955 5.776 6.683 1.00 0.00 C ATOM 634 C LYS A 40 -24.147 5.035 7.310 1.00 0.00 C ATOM 635 O LYS A 40 -24.890 5.591 8.112 1.00 0.00 O ATOM 636 CB LYS A 40 -23.411 6.541 5.435 1.00 0.00 C ATOM 637 CG LYS A 40 -23.721 5.628 4.263 1.00 0.00 C ATOM 638 CD LYS A 40 -24.233 6.364 3.046 1.00 0.00 C ATOM 639 CE LYS A 40 -25.616 6.952 3.263 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.204 7.382 1.980 1.00 0.00 N ATOM 0 H LYS A 40 -21.584 4.871 5.355 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.583 6.476 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.298 7.126 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.633 7.247 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.820 5.078 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.463 4.892 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -23.538 7.163 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.261 5.681 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -26.262 6.212 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.553 7.801 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -27.210 7.606 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.705 8.227 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.112 6.616 1.282 1.00 0.00 H new ATOM 654 N GLN A 41 -24.303 3.787 6.943 1.00 0.00 N ATOM 655 CA GLN A 41 -25.394 2.983 7.395 1.00 0.00 C ATOM 656 C GLN A 41 -25.071 2.278 8.729 1.00 0.00 C ATOM 657 O GLN A 41 -25.980 1.965 9.514 1.00 0.00 O ATOM 658 CB GLN A 41 -25.698 1.965 6.289 1.00 0.00 C ATOM 659 CG GLN A 41 -26.851 1.020 6.548 1.00 0.00 C ATOM 660 CD GLN A 41 -28.205 1.712 6.666 1.00 0.00 C ATOM 661 OE1 GLN A 41 -28.312 2.850 7.116 1.00 0.00 O ATOM 662 NE2 GLN A 41 -29.239 1.040 6.252 1.00 0.00 N ATOM 0 H GLN A 41 -23.664 3.302 6.314 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.264 3.610 7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.903 2.511 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.801 1.371 6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.897 0.289 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -26.655 0.468 7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -29.120 0.097 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -30.169 1.457 6.296 1.00 0.00 H new ATOM 671 N ASP A 42 -23.786 2.076 9.007 1.00 0.00 N ATOM 672 CA ASP A 42 -23.396 1.277 10.181 1.00 0.00 C ATOM 673 C ASP A 42 -22.638 2.114 11.228 1.00 0.00 C ATOM 674 O ASP A 42 -22.448 1.691 12.363 1.00 0.00 O ATOM 675 CB ASP A 42 -22.565 0.071 9.727 1.00 0.00 C ATOM 676 CG ASP A 42 -22.314 -0.942 10.822 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.257 -1.660 11.204 1.00 0.00 O ATOM 678 OD2 ASP A 42 -21.168 -1.089 11.272 1.00 0.00 O ATOM 0 H ASP A 42 -23.009 2.441 8.456 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.304 0.923 10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.077 -0.421 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.607 0.424 9.345 1.00 0.00 H new ATOM 683 N ASN A 43 -22.204 3.301 10.808 1.00 0.00 N ATOM 684 CA ASN A 43 -21.489 4.299 11.638 1.00 0.00 C ATOM 685 C ASN A 43 -20.096 3.850 12.042 1.00 0.00 C ATOM 686 O ASN A 43 -19.486 4.437 12.940 1.00 0.00 O ATOM 687 CB ASN A 43 -22.286 4.717 12.886 1.00 0.00 C ATOM 688 CG ASN A 43 -23.598 5.395 12.568 1.00 0.00 C ATOM 689 OD1 ASN A 43 -23.751 6.037 11.527 1.00 0.00 O ATOM 690 ND2 ASN A 43 -24.540 5.279 13.463 1.00 0.00 N ATOM 0 H ASN A 43 -22.340 3.616 9.848 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.385 5.171 10.992 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.481 3.834 13.494 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.675 5.390 13.488 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -25.443 5.729 13.314 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.373 4.738 14.312 1.00 0.00 H new ATOM 697 N THR A 44 -19.581 2.849 11.381 1.00 0.00 N ATOM 698 CA THR A 44 -18.270 2.330 11.680 1.00 0.00 C ATOM 699 C THR A 44 -17.240 2.857 10.704 1.00 0.00 C ATOM 700 O THR A 44 -17.588 3.292 9.606 1.00 0.00 O ATOM 701 CB THR A 44 -18.291 0.809 11.651 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.131 0.373 10.579 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.772 0.252 12.970 1.00 0.00 C ATOM 0 H THR A 44 -20.058 2.368 10.618 1.00 0.00 H new ATOM 0 HA THR A 44 -17.991 2.664 12.679 1.00 0.00 H new ATOM 0 HB THR A 44 -17.279 0.439 11.489 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.632 -0.421 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.778 -0.837 12.924 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.105 0.578 13.768 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.781 0.613 13.171 1.00 0.00 H new ATOM 711 N THR A 45 -15.992 2.834 11.097 1.00 0.00 N ATOM 712 CA THR A 45 -14.936 3.325 10.243 1.00 0.00 C ATOM 713 C THR A 45 -13.889 2.244 10.079 1.00 0.00 C ATOM 714 O THR A 45 -13.559 1.530 11.040 1.00 0.00 O ATOM 715 CB THR A 45 -14.238 4.530 10.867 1.00 0.00 C ATOM 716 OG1 THR A 45 -15.193 5.339 11.550 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.543 5.374 9.806 1.00 0.00 C ATOM 0 H THR A 45 -15.680 2.481 12.002 1.00 0.00 H new ATOM 0 HA THR A 45 -15.383 3.608 9.290 1.00 0.00 H new ATOM 0 HB THR A 45 -13.489 4.160 11.566 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.741 6.111 11.951 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.055 6.225 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.797 4.769 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.279 5.733 9.087 1.00 0.00 H new ATOM 725 N GLN A 46 -13.380 2.122 8.908 1.00 0.00 N ATOM 726 CA GLN A 46 -12.332 1.177 8.617 1.00 0.00 C ATOM 727 C GLN A 46 -11.426 1.714 7.535 1.00 0.00 C ATOM 728 O GLN A 46 -11.801 2.627 6.802 1.00 0.00 O ATOM 729 CB GLN A 46 -12.855 -0.248 8.263 1.00 0.00 C ATOM 730 CG GLN A 46 -13.806 -0.371 7.062 1.00 0.00 C ATOM 731 CD GLN A 46 -15.211 0.164 7.333 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.516 1.314 7.080 1.00 0.00 O ATOM 733 NE2 GLN A 46 -16.060 -0.668 7.882 1.00 0.00 N ATOM 0 H GLN A 46 -13.674 2.677 8.104 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.758 1.056 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.992 -0.888 8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.365 -0.648 9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.379 0.167 6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.876 -1.419 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.777 -1.627 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.005 -0.357 8.109 1.00 0.00 H new ATOM 742 N LEU A 47 -10.247 1.166 7.450 1.00 0.00 N ATOM 743 CA LEU A 47 -9.279 1.573 6.461 1.00 0.00 C ATOM 744 C LEU A 47 -8.981 0.333 5.647 1.00 0.00 C ATOM 745 O LEU A 47 -8.228 -0.548 6.088 1.00 0.00 O ATOM 746 CB LEU A 47 -7.983 2.088 7.159 1.00 0.00 C ATOM 747 CG LEU A 47 -6.884 2.738 6.276 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.281 4.136 5.805 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.553 2.785 7.011 1.00 0.00 C ATOM 0 H LEU A 47 -9.925 0.420 8.066 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.654 2.383 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.278 2.817 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.532 1.247 7.687 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.774 2.111 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.483 4.553 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.197 4.076 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.446 4.778 6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.800 3.245 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.662 3.372 7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.242 1.772 7.266 1.00 0.00 H new ATOM 761 N VAL A 48 -9.575 0.245 4.494 1.00 0.00 N ATOM 762 CA VAL A 48 -9.453 -0.931 3.661 1.00 0.00 C ATOM 763 C VAL A 48 -9.038 -0.549 2.276 1.00 0.00 C ATOM 764 O VAL A 48 -9.151 0.597 1.886 1.00 0.00 O ATOM 765 CB VAL A 48 -10.757 -1.779 3.606 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.057 -2.405 4.959 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.929 -0.933 3.142 1.00 0.00 C ATOM 0 H VAL A 48 -10.159 0.982 4.098 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.686 -1.554 4.120 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.604 -2.582 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.973 -2.992 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.231 -3.053 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.183 -1.619 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.830 -1.546 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.077 -0.105 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.723 -0.540 2.146 1.00 0.00 H new ATOM 777 N GLN A 49 -8.588 -1.499 1.537 1.00 0.00 N ATOM 778 CA GLN A 49 -8.043 -1.245 0.247 1.00 0.00 C ATOM 779 C GLN A 49 -9.088 -1.075 -0.835 1.00 0.00 C ATOM 780 O GLN A 49 -10.220 -1.548 -0.724 1.00 0.00 O ATOM 781 CB GLN A 49 -7.009 -2.298 -0.190 1.00 0.00 C ATOM 782 CG GLN A 49 -7.502 -3.741 -0.339 1.00 0.00 C ATOM 783 CD GLN A 49 -7.610 -4.536 0.964 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.866 -4.002 2.034 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.385 -5.809 0.880 1.00 0.00 N ATOM 0 H GLN A 49 -8.586 -2.482 1.810 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.532 -0.290 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.589 -1.984 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.194 -2.292 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.481 -3.725 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.827 -4.270 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.174 -6.231 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.419 -6.389 1.718 1.00 0.00 H new ATOM 794 N ASP A 50 -8.632 -0.442 -1.904 1.00 0.00 N ATOM 795 CA ASP A 50 -9.374 -0.157 -3.163 1.00 0.00 C ATOM 796 C ASP A 50 -10.072 -1.397 -3.725 1.00 0.00 C ATOM 797 O ASP A 50 -11.078 -1.308 -4.401 1.00 0.00 O ATOM 798 CB ASP A 50 -8.371 0.411 -4.202 1.00 0.00 C ATOM 799 CG ASP A 50 -8.886 0.435 -5.637 1.00 0.00 C ATOM 800 OD1 ASP A 50 -9.583 1.376 -6.034 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.569 -0.500 -6.395 1.00 0.00 O ATOM 0 H ASP A 50 -7.678 -0.084 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.159 0.568 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.102 1.426 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.458 -0.183 -4.168 1.00 0.00 H new ATOM 806 N ASP A 51 -9.548 -2.544 -3.385 1.00 0.00 N ATOM 807 CA ASP A 51 -10.062 -3.827 -3.852 1.00 0.00 C ATOM 808 C ASP A 51 -11.433 -4.111 -3.248 1.00 0.00 C ATOM 809 O ASP A 51 -12.274 -4.774 -3.855 1.00 0.00 O ATOM 810 CB ASP A 51 -9.079 -4.935 -3.487 1.00 0.00 C ATOM 811 CG ASP A 51 -9.509 -6.298 -3.965 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.372 -6.591 -5.159 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.942 -7.114 -3.141 1.00 0.00 O ATOM 0 H ASP A 51 -8.740 -2.627 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.173 -3.789 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.104 -4.700 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.957 -4.960 -2.404 1.00 0.00 H new ATOM 818 N GLN A 52 -11.661 -3.581 -2.064 1.00 0.00 N ATOM 819 CA GLN A 52 -12.925 -3.762 -1.385 1.00 0.00 C ATOM 820 C GLN A 52 -13.780 -2.523 -1.570 1.00 0.00 C ATOM 821 O GLN A 52 -14.984 -2.543 -1.334 1.00 0.00 O ATOM 822 CB GLN A 52 -12.699 -4.026 0.104 1.00 0.00 C ATOM 823 CG GLN A 52 -11.808 -5.223 0.372 1.00 0.00 C ATOM 824 CD GLN A 52 -11.630 -5.526 1.849 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.510 -5.280 2.663 1.00 0.00 O ATOM 826 NE2 GLN A 52 -10.503 -6.081 2.200 1.00 0.00 N ATOM 0 H GLN A 52 -10.982 -3.019 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.438 -4.623 -1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.254 -3.141 0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.663 -4.183 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.230 -6.098 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.830 -5.045 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.789 -6.273 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.336 -6.323 3.177 1.00 0.00 H new ATOM 835 N VAL A 53 -13.145 -1.453 -2.001 1.00 0.00 N ATOM 836 CA VAL A 53 -13.828 -0.192 -2.199 1.00 0.00 C ATOM 837 C VAL A 53 -14.357 -0.060 -3.615 1.00 0.00 C ATOM 838 O VAL A 53 -13.611 0.057 -4.596 1.00 0.00 O ATOM 839 CB VAL A 53 -12.961 1.035 -1.823 1.00 0.00 C ATOM 840 CG1 VAL A 53 -13.723 2.339 -2.064 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.555 0.939 -0.373 1.00 0.00 C ATOM 0 H VAL A 53 -12.150 -1.432 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.675 -0.202 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.073 1.039 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.092 3.185 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.994 2.413 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.627 2.350 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.945 1.802 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.446 0.919 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.980 0.026 -0.216 1.00 0.00 H new ATOM 851 N LYS A 54 -15.630 -0.101 -3.699 1.00 0.00 N ATOM 852 CA LYS A 54 -16.359 0.013 -4.924 1.00 0.00 C ATOM 853 C LYS A 54 -16.854 1.447 -5.045 1.00 0.00 C ATOM 854 O LYS A 54 -17.749 1.848 -4.302 1.00 0.00 O ATOM 855 CB LYS A 54 -17.582 -0.922 -4.871 1.00 0.00 C ATOM 856 CG LYS A 54 -17.274 -2.372 -4.487 1.00 0.00 C ATOM 857 CD LYS A 54 -16.425 -3.083 -5.522 1.00 0.00 C ATOM 858 CE LYS A 54 -17.173 -3.253 -6.839 1.00 0.00 C ATOM 859 NZ LYS A 54 -16.371 -3.972 -7.847 1.00 0.00 N ATOM 0 H LYS A 54 -16.231 -0.220 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.724 -0.253 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.299 -0.517 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.067 -0.916 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.758 -2.388 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.210 -2.915 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.509 -2.517 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.129 -4.061 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.101 -3.797 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.448 -2.273 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.920 -4.064 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.497 -3.441 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.130 -4.918 -7.488 1.00 0.00 H new ATOM 873 N GLY A 55 -16.255 2.222 -5.903 1.00 0.00 N ATOM 874 CA GLY A 55 -16.707 3.582 -6.103 1.00 0.00 C ATOM 875 C GLY A 55 -15.550 4.553 -6.262 1.00 0.00 C ATOM 876 O GLY A 55 -14.411 4.118 -6.407 1.00 0.00 O ATOM 0 H GLY A 55 -15.457 1.945 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.341 3.626 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.322 3.887 -5.256 1.00 0.00 H new ATOM 880 N PRO A 56 -15.814 5.877 -6.243 1.00 0.00 N ATOM 881 CA PRO A 56 -14.774 6.897 -6.388 1.00 0.00 C ATOM 882 C PRO A 56 -14.011 7.135 -5.102 1.00 0.00 C ATOM 883 O PRO A 56 -14.599 7.331 -4.036 1.00 0.00 O ATOM 884 CB PRO A 56 -15.532 8.178 -6.727 1.00 0.00 C ATOM 885 CG PRO A 56 -16.984 7.806 -6.802 1.00 0.00 C ATOM 886 CD PRO A 56 -17.134 6.485 -6.082 1.00 0.00 C ATOM 0 HA PRO A 56 -14.047 6.587 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.366 8.940 -5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.188 8.593 -7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.604 8.572 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.308 7.720 -7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.390 6.624 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.919 5.871 -6.523 1.00 0.00 H new ATOM 894 N LEU A 57 -12.729 7.206 -5.211 1.00 0.00 N ATOM 895 CA LEU A 57 -11.896 7.412 -4.056 1.00 0.00 C ATOM 896 C LEU A 57 -11.740 8.903 -3.831 1.00 0.00 C ATOM 897 O LEU A 57 -10.782 9.535 -4.290 1.00 0.00 O ATOM 898 CB LEU A 57 -10.514 6.722 -4.184 1.00 0.00 C ATOM 899 CG LEU A 57 -10.477 5.172 -4.273 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.079 4.649 -5.571 1.00 0.00 C ATOM 901 CD2 LEU A 57 -9.059 4.673 -4.121 1.00 0.00 C ATOM 0 H LEU A 57 -12.222 7.125 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.381 6.951 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.024 7.119 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.911 7.021 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.089 4.790 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.028 3.560 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.120 4.965 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.520 5.047 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.047 3.585 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.439 5.090 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.666 4.983 -3.153 1.00 0.00 H new ATOM 913 N ARG A 58 -12.728 9.468 -3.189 1.00 0.00 N ATOM 914 CA ARG A 58 -12.787 10.896 -2.932 1.00 0.00 C ATOM 915 C ARG A 58 -13.294 11.139 -1.549 1.00 0.00 C ATOM 916 O ARG A 58 -14.289 10.551 -1.154 1.00 0.00 O ATOM 917 CB ARG A 58 -13.710 11.589 -3.937 1.00 0.00 C ATOM 918 CG ARG A 58 -13.235 11.578 -5.379 1.00 0.00 C ATOM 919 CD ARG A 58 -14.277 12.190 -6.301 1.00 0.00 C ATOM 920 NE ARG A 58 -14.654 13.550 -5.879 1.00 0.00 N ATOM 921 CZ ARG A 58 -15.143 14.507 -6.673 1.00 0.00 C ATOM 922 NH1 ARG A 58 -15.222 14.329 -7.992 1.00 0.00 N ATOM 923 NH2 ARG A 58 -15.530 15.659 -6.136 1.00 0.00 N ATOM 0 H ARG A 58 -13.527 8.950 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.782 11.306 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.689 11.113 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.845 12.625 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.300 12.133 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.027 10.554 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.888 12.221 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.164 11.556 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.531 13.782 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.907 13.453 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.598 15.069 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.452 15.804 -5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.905 16.398 -6.730 1.00 0.00 H new ATOM 937 N VAL A 59 -12.627 11.996 -0.812 1.00 0.00 N ATOM 938 CA VAL A 59 -13.035 12.290 0.542 1.00 0.00 C ATOM 939 C VAL A 59 -14.404 12.954 0.526 1.00 0.00 C ATOM 940 O VAL A 59 -14.605 13.998 -0.108 1.00 0.00 O ATOM 941 CB VAL A 59 -12.009 13.177 1.300 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.408 13.319 2.759 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.624 12.575 1.218 1.00 0.00 C ATOM 0 H VAL A 59 -11.799 12.502 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.086 11.345 1.083 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.001 14.160 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.679 13.943 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.393 13.782 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.438 12.334 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.919 13.210 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.632 11.582 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.322 12.499 0.174 1.00 0.00 H new ATOM 953 N GLY A 60 -15.337 12.314 1.176 1.00 0.00 N ATOM 954 CA GLY A 60 -16.686 12.794 1.224 1.00 0.00 C ATOM 955 C GLY A 60 -17.565 12.182 0.159 1.00 0.00 C ATOM 956 O GLY A 60 -18.738 12.553 0.030 1.00 0.00 O ATOM 0 H GLY A 60 -15.181 11.445 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.109 12.578 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.685 13.878 1.109 1.00 0.00 H new ATOM 960 N ALA A 61 -17.040 11.225 -0.583 1.00 0.00 N ATOM 961 CA ALA A 61 -17.815 10.641 -1.663 1.00 0.00 C ATOM 962 C ALA A 61 -18.486 9.371 -1.216 1.00 0.00 C ATOM 963 O ALA A 61 -18.190 8.848 -0.138 1.00 0.00 O ATOM 964 CB ALA A 61 -16.969 10.405 -2.905 1.00 0.00 C ATOM 0 H ALA A 61 -16.102 10.842 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.589 11.359 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.587 9.967 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.561 11.354 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.152 9.725 -2.665 1.00 0.00 H new ATOM 970 N ILE A 62 -19.378 8.888 -2.040 1.00 0.00 N ATOM 971 CA ILE A 62 -20.148 7.712 -1.743 1.00 0.00 C ATOM 972 C ILE A 62 -19.541 6.500 -2.436 1.00 0.00 C ATOM 973 O ILE A 62 -19.482 6.446 -3.667 1.00 0.00 O ATOM 974 CB ILE A 62 -21.614 7.873 -2.238 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.288 9.126 -1.641 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.430 6.630 -1.922 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.435 9.111 -0.142 1.00 0.00 C ATOM 0 H ILE A 62 -19.592 9.306 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.140 7.573 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.577 8.002 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.708 10.004 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.276 9.237 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.452 6.765 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -21.985 5.767 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.439 6.465 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.919 10.031 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -23.042 8.256 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.450 9.035 0.319 1.00 0.00 H new ATOM 989 N VAL A 63 -19.075 5.570 -1.666 1.00 0.00 N ATOM 990 CA VAL A 63 -18.579 4.321 -2.171 1.00 0.00 C ATOM 991 C VAL A 63 -19.332 3.207 -1.511 1.00 0.00 C ATOM 992 O VAL A 63 -20.326 3.437 -0.820 1.00 0.00 O ATOM 993 CB VAL A 63 -17.062 4.118 -1.913 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.246 5.056 -2.755 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.723 4.283 -0.433 1.00 0.00 C ATOM 0 H VAL A 63 -19.026 5.654 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.725 4.326 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.811 3.097 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.186 4.895 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.450 4.870 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.508 6.085 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.653 4.135 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -16.999 5.286 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.275 3.547 0.151 1.00 0.00 H new ATOM 1005 N GLU A 64 -18.913 2.032 -1.753 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.407 0.904 -1.143 1.00 0.00 C ATOM 1007 C GLU A 64 -18.205 0.060 -0.851 1.00 0.00 C ATOM 1008 O GLU A 64 -17.319 -0.022 -1.674 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.350 0.245 -2.096 1.00 0.00 C ATOM 1010 CG GLU A 64 -20.852 -1.047 -1.633 1.00 0.00 C ATOM 1011 CD GLU A 64 -21.742 -1.696 -2.653 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -22.895 -1.255 -2.825 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -21.302 -2.623 -3.332 1.00 0.00 O ATOM 0 H GLU A 64 -18.171 1.837 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 64 -19.958 1.095 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -21.195 0.910 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -19.847 0.107 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -20.012 -1.705 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.404 -0.911 -0.703 1.00 0.00 H new ATOM 1020 N THR A 65 -18.132 -0.492 0.293 1.00 0.00 N ATOM 1021 CA THR A 65 -16.965 -1.219 0.660 1.00 0.00 C ATOM 1022 C THR A 65 -17.344 -2.437 1.442 1.00 0.00 C ATOM 1023 O THR A 65 -18.445 -2.508 2.005 1.00 0.00 O ATOM 1024 CB THR A 65 -15.998 -0.344 1.488 1.00 0.00 C ATOM 1025 OG1 THR A 65 -14.780 -1.051 1.752 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.646 0.066 2.800 1.00 0.00 C ATOM 0 H THR A 65 -18.864 -0.460 1.002 1.00 0.00 H new ATOM 0 HA THR A 65 -16.454 -1.520 -0.255 1.00 0.00 H new ATOM 0 HB THR A 65 -15.769 0.550 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.200 -1.010 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.952 0.682 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.553 0.635 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.899 -0.825 3.375 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.461 -3.380 1.469 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.680 -4.578 2.202 1.00 0.00 C ATOM 1036 C ARG A 66 -16.370 -4.306 3.656 1.00 0.00 C ATOM 1037 O ARG A 66 -15.305 -3.778 3.991 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.814 -5.714 1.672 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.215 -7.077 2.211 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.431 -8.210 1.557 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.002 -8.202 1.902 1.00 0.00 N ATOM 1042 CZ ARG A 66 -13.102 -9.076 1.411 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.451 -9.925 0.438 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -11.857 -9.079 1.867 1.00 0.00 N ATOM 0 H ARG A 66 -15.566 -3.339 0.982 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.719 -4.888 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.873 -5.730 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.773 -5.520 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.054 -7.101 3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.281 -7.232 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.865 -9.164 1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.537 -8.138 0.475 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.671 -7.490 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.401 -9.912 0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.767 -10.586 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.578 -8.418 2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.178 -9.742 1.493 1.00 0.00 H new ATOM 1058 N THR A 67 -17.297 -4.605 4.494 1.00 0.00 N ATOM 1059 CA THR A 67 -17.128 -4.393 5.896 1.00 0.00 C ATOM 1060 C THR A 67 -16.731 -5.710 6.587 1.00 0.00 C ATOM 1061 O THR A 67 -16.634 -6.762 5.927 1.00 0.00 O ATOM 1062 CB THR A 67 -18.405 -3.774 6.524 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.226 -3.549 7.926 1.00 0.00 O ATOM 1064 CG2 THR A 67 -19.581 -4.669 6.303 1.00 0.00 C ATOM 0 H THR A 67 -18.198 -5.005 4.231 1.00 0.00 H new ATOM 0 HA THR A 67 -16.320 -3.677 6.048 1.00 0.00 H new ATOM 0 HB THR A 67 -18.588 -2.816 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.042 -3.157 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 67 -20.469 -4.221 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 67 -19.741 -4.802 5.233 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.393 -5.638 6.765 1.00 0.00 H new ATOM 1072 N SER A 68 -16.535 -5.658 7.893 1.00 0.00 N ATOM 1073 CA SER A 68 -16.127 -6.792 8.703 1.00 0.00 C ATOM 1074 C SER A 68 -17.242 -7.847 8.740 1.00 0.00 C ATOM 1075 O SER A 68 -16.999 -9.020 9.007 1.00 0.00 O ATOM 1076 CB SER A 68 -15.791 -6.297 10.122 1.00 0.00 C ATOM 1077 OG SER A 68 -15.295 -7.330 10.954 1.00 0.00 O ATOM 0 H SER A 68 -16.659 -4.802 8.434 1.00 0.00 H new ATOM 0 HA SER A 68 -15.242 -7.258 8.268 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.051 -5.499 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.685 -5.868 10.575 1.00 0.00 H new ATOM 0 HG SER A 68 -15.095 -6.967 11.842 1.00 0.00 H new ATOM 1083 N ASP A 69 -18.459 -7.410 8.449 1.00 0.00 N ATOM 1084 CA ASP A 69 -19.621 -8.295 8.393 1.00 0.00 C ATOM 1085 C ASP A 69 -19.544 -9.209 7.158 1.00 0.00 C ATOM 1086 O ASP A 69 -20.189 -10.247 7.094 1.00 0.00 O ATOM 1087 CB ASP A 69 -20.916 -7.455 8.388 1.00 0.00 C ATOM 1088 CG ASP A 69 -22.190 -8.272 8.262 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -22.654 -8.856 9.266 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -22.775 -8.301 7.171 1.00 0.00 O ATOM 0 H ASP A 69 -18.672 -6.434 8.245 1.00 0.00 H new ATOM 0 HA ASP A 69 -19.628 -8.934 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.961 -6.873 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -20.871 -6.744 7.563 1.00 0.00 H new ATOM 1095 N GLY A 70 -18.716 -8.820 6.189 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.547 -9.611 4.981 1.00 0.00 C ATOM 1097 C GLY A 70 -19.350 -9.063 3.832 1.00 0.00 C ATOM 1098 O GLY A 70 -19.145 -9.430 2.664 1.00 0.00 O ATOM 0 H GLY A 70 -18.157 -7.967 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.492 -9.635 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.849 -10.640 5.176 1.00 0.00 H new ATOM 1102 N SER A 71 -20.241 -8.184 4.156 1.00 0.00 N ATOM 1103 CA SER A 71 -21.099 -7.562 3.209 1.00 0.00 C ATOM 1104 C SER A 71 -20.485 -6.265 2.695 1.00 0.00 C ATOM 1105 O SER A 71 -19.496 -5.759 3.257 1.00 0.00 O ATOM 1106 CB SER A 71 -22.424 -7.288 3.897 1.00 0.00 C ATOM 1107 OG SER A 71 -22.192 -6.708 5.176 1.00 0.00 O ATOM 0 H SER A 71 -20.394 -7.872 5.115 1.00 0.00 H new ATOM 0 HA SER A 71 -21.246 -8.215 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 71 -23.029 -6.617 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.987 -8.215 4.005 1.00 0.00 H new ATOM 0 HG SER A 71 -22.603 -7.267 5.868 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.023 -5.767 1.618 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.645 -4.491 1.103 1.00 0.00 C ATOM 1115 C PHE A 72 -21.666 -3.477 1.566 1.00 0.00 C ATOM 1116 O PHE A 72 -22.880 -3.653 1.363 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.528 -4.505 -0.422 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.322 -5.240 -0.957 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.349 -6.613 -1.146 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.167 -4.548 -1.285 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.246 -7.281 -1.650 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.059 -5.208 -1.786 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.100 -6.576 -1.970 1.00 0.00 C ATOM 0 H PHE A 72 -21.741 -6.242 1.072 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.657 -4.225 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.427 -4.960 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.497 -3.476 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.241 -7.168 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.131 -3.477 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.280 -8.351 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.165 -4.655 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.238 -7.095 -2.363 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.191 -2.460 2.207 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.025 -1.451 2.782 1.00 0.00 C ATOM 1135 C GLN A 73 -21.660 -0.127 2.126 1.00 0.00 C ATOM 1136 O GLN A 73 -20.494 0.069 1.750 1.00 0.00 O ATOM 1137 CB GLN A 73 -21.748 -1.393 4.295 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.773 -0.630 5.120 1.00 0.00 C ATOM 1139 CD GLN A 73 -24.122 -1.316 5.119 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -24.958 -1.053 4.265 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -24.345 -2.189 6.060 1.00 0.00 N ATOM 0 H GLN A 73 -20.193 -2.302 2.350 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.082 -1.664 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.688 -2.413 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -20.770 -0.937 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.415 -0.534 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.879 0.380 4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.625 -2.384 6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.239 -2.678 6.101 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.627 0.749 1.960 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.388 2.043 1.357 1.00 0.00 C ATOM 1152 C GLU A 74 -21.626 2.899 2.360 1.00 0.00 C ATOM 1153 O GLU A 74 -22.019 3.012 3.537 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.720 2.692 0.944 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.594 4.007 0.188 1.00 0.00 C ATOM 1156 CD GLU A 74 -24.936 4.553 -0.269 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.639 5.200 0.523 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.316 4.328 -1.441 1.00 0.00 O ATOM 0 H GLU A 74 -23.595 0.587 2.237 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.791 1.942 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.272 1.986 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.316 2.863 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.106 4.743 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.951 3.862 -0.680 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.536 3.452 1.927 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.672 4.198 2.819 1.00 0.00 C ATOM 1167 C ALA A 75 -19.250 5.540 2.258 1.00 0.00 C ATOM 1168 O ALA A 75 -19.450 5.824 1.077 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.454 3.378 3.155 1.00 0.00 C ATOM 0 H ALA A 75 -20.214 3.407 0.960 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.251 4.402 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.808 3.944 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.761 2.453 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.910 3.143 2.240 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.668 6.352 3.118 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.153 7.665 2.748 1.00 0.00 C ATOM 1177 C ILE A 76 -16.651 7.613 2.945 1.00 0.00 C ATOM 1178 O ILE A 76 -16.179 6.899 3.824 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.646 8.808 3.693 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.114 8.633 4.133 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.455 10.169 3.010 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -21.114 8.629 3.012 1.00 0.00 C ATOM 0 H ILE A 76 -18.536 6.122 4.103 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.485 7.874 1.731 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.040 8.758 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.204 7.697 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.369 9.436 4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.801 10.961 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.399 10.319 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -19.030 10.195 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.117 8.501 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -21.060 9.575 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.892 7.809 2.329 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.909 8.349 2.168 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.472 8.403 2.349 1.00 0.00 C ATOM 1196 C ILE A 77 -14.113 9.527 3.315 1.00 0.00 C ATOM 1197 O ILE A 77 -14.590 10.652 3.169 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.679 8.618 1.016 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.897 7.494 0.006 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.193 8.801 1.263 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.211 7.544 -0.696 1.00 0.00 C ATOM 0 H ILE A 77 -16.266 8.921 1.403 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.182 7.431 2.747 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.081 9.535 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.100 7.530 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.810 6.537 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.681 8.947 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.034 9.673 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.794 7.915 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.282 6.710 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.017 7.475 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.296 8.483 -1.243 1.00 0.00 H new ATOM 1213 N SER A 78 -13.311 9.223 4.288 1.00 0.00 N ATOM 1214 CA SER A 78 -12.816 10.210 5.213 1.00 0.00 C ATOM 1215 C SER A 78 -11.325 10.503 4.947 1.00 0.00 C ATOM 1216 O SER A 78 -10.792 11.540 5.371 1.00 0.00 O ATOM 1217 CB SER A 78 -13.038 9.724 6.645 1.00 0.00 C ATOM 1218 OG SER A 78 -14.429 9.520 6.893 1.00 0.00 O ATOM 0 H SER A 78 -12.975 8.277 4.469 1.00 0.00 H new ATOM 0 HA SER A 78 -13.363 11.142 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.493 8.794 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.640 10.455 7.349 1.00 0.00 H new ATOM 0 HG SER A 78 -14.555 9.207 7.813 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.679 9.605 4.211 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.253 9.699 3.896 1.00 0.00 C ATOM 1226 C LYS A 79 -8.905 8.598 2.914 1.00 0.00 C ATOM 1227 O LYS A 79 -9.525 7.557 2.948 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.411 9.484 5.178 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.942 9.812 5.006 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.186 9.694 6.306 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.742 10.114 6.120 1.00 0.00 C ATOM 1232 NZ LYS A 79 -3.989 10.092 7.382 1.00 0.00 N ATOM 0 H LYS A 79 -11.132 8.783 3.811 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.040 10.683 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.820 10.101 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.507 8.446 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.503 9.140 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.839 10.825 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.657 10.318 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.228 8.666 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.262 9.450 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.709 11.118 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.007 10.386 7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.430 10.745 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.996 9.129 7.774 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.970 8.828 2.031 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.470 7.767 1.191 1.00 0.00 C ATOM 1248 C LEU A 80 -5.964 7.726 1.221 1.00 0.00 C ATOM 1249 O LEU A 80 -5.293 8.681 0.870 1.00 0.00 O ATOM 1250 CB LEU A 80 -8.108 7.651 -0.256 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.184 8.870 -1.239 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -9.059 9.989 -0.726 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -6.819 9.382 -1.673 1.00 0.00 C ATOM 0 H LEU A 80 -7.538 9.739 1.873 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.834 6.844 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.563 6.864 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.129 7.295 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.665 8.476 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.071 10.803 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.074 9.619 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.665 10.353 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.946 10.225 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.255 9.703 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.276 8.585 -2.182 1.00 0.00 H new ATOM 1265 N THR A 81 -5.440 6.662 1.722 1.00 0.00 N ATOM 1266 CA THR A 81 -4.029 6.509 1.873 1.00 0.00 C ATOM 1267 C THR A 81 -3.537 5.431 0.928 1.00 0.00 C ATOM 1268 O THR A 81 -3.742 4.234 1.153 1.00 0.00 O ATOM 1269 CB THR A 81 -3.710 6.159 3.342 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.216 7.219 4.179 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.214 6.002 3.582 1.00 0.00 C ATOM 0 H THR A 81 -5.984 5.861 2.044 1.00 0.00 H new ATOM 0 HA THR A 81 -3.517 7.439 1.624 1.00 0.00 H new ATOM 0 HB THR A 81 -4.182 5.205 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.024 7.014 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.037 5.756 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.826 5.202 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.706 6.935 3.338 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.921 5.852 -0.135 1.00 0.00 N ATOM 1280 CA ASP A 82 -2.469 4.936 -1.139 1.00 0.00 C ATOM 1281 C ASP A 82 -1.242 4.205 -0.689 1.00 0.00 C ATOM 1282 O ASP A 82 -0.387 4.753 0.034 1.00 0.00 O ATOM 1283 CB ASP A 82 -2.242 5.588 -2.517 1.00 0.00 C ATOM 1284 CG ASP A 82 -0.998 6.431 -2.609 1.00 0.00 C ATOM 1285 OD1 ASP A 82 0.092 5.869 -2.786 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -1.091 7.671 -2.582 1.00 0.00 O ATOM 0 H ASP A 82 -2.718 6.832 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.280 4.220 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.192 4.804 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.105 6.208 -2.759 1.00 0.00 H new ATOM 1291 N ALA A 83 -1.192 2.967 -1.035 1.00 0.00 N ATOM 1292 CA ALA A 83 -0.063 2.159 -0.759 1.00 0.00 C ATOM 1293 C ALA A 83 0.654 1.934 -2.064 1.00 0.00 C ATOM 1294 O ALA A 83 1.768 2.409 -2.248 1.00 0.00 O ATOM 1295 CB ALA A 83 -0.497 0.845 -0.128 1.00 0.00 C ATOM 0 H ALA A 83 -1.945 2.483 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 83 0.604 2.646 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.381 0.233 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.027 1.046 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.157 0.313 -0.813 1.00 0.00 H new ATOM 1301 N SER A 84 -0.081 1.315 -2.999 1.00 0.00 N ATOM 1302 CA SER A 84 0.378 0.963 -4.325 1.00 0.00 C ATOM 1303 C SER A 84 1.766 0.325 -4.341 1.00 0.00 C ATOM 1304 O SER A 84 2.798 1.003 -4.454 1.00 0.00 O ATOM 1305 CB SER A 84 0.285 2.147 -5.242 1.00 0.00 C ATOM 1306 OG SER A 84 -1.032 2.688 -5.209 1.00 0.00 O ATOM 0 H SER A 84 -1.049 1.040 -2.832 1.00 0.00 H new ATOM 0 HA SER A 84 -0.290 0.187 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.007 2.907 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.539 1.850 -6.259 1.00 0.00 H new ATOM 0 HG SER A 84 -1.214 3.156 -6.050 1.00 0.00 H new ATOM 1312 N TRP A 85 1.770 -0.960 -4.242 1.00 0.00 N ATOM 1313 CA TRP A 85 2.983 -1.720 -4.177 1.00 0.00 C ATOM 1314 C TRP A 85 3.295 -2.334 -5.519 1.00 0.00 C ATOM 1315 O TRP A 85 2.428 -2.945 -6.159 1.00 0.00 O ATOM 1316 CB TRP A 85 2.901 -2.809 -3.103 1.00 0.00 C ATOM 1317 CG TRP A 85 2.889 -2.292 -1.689 1.00 0.00 C ATOM 1318 CD1 TRP A 85 1.879 -2.410 -0.787 1.00 0.00 C ATOM 1319 CD2 TRP A 85 3.940 -1.572 -1.019 1.00 0.00 C ATOM 1320 NE1 TRP A 85 2.229 -1.819 0.399 1.00 0.00 N ATOM 1321 CE2 TRP A 85 3.488 -1.298 0.283 1.00 0.00 C ATOM 1322 CE3 TRP A 85 5.216 -1.140 -1.393 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 4.263 -0.612 1.212 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 5.983 -0.458 -0.468 1.00 0.00 C ATOM 1325 CH2 TRP A 85 5.505 -0.202 0.820 1.00 0.00 C ATOM 0 H TRP A 85 0.922 -1.526 -4.203 1.00 0.00 H new ATOM 0 HA TRP A 85 3.788 -1.037 -3.905 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.999 -3.398 -3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.749 -3.484 -3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.935 -2.900 -0.978 1.00 0.00 H new ATOM 0 HE1 TRP A 85 1.645 -1.775 1.234 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.595 -1.336 -2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.896 -0.411 2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.969 -0.117 -0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.131 0.331 1.520 1.00 0.00 H new ATOM 1336 N TYR A 86 4.501 -2.146 -5.960 1.00 0.00 N ATOM 1337 CA TYR A 86 4.942 -2.687 -7.208 1.00 0.00 C ATOM 1338 C TYR A 86 6.134 -3.535 -6.972 1.00 0.00 C ATOM 1339 O TYR A 86 7.213 -3.041 -6.610 1.00 0.00 O ATOM 1340 CB TYR A 86 5.266 -1.579 -8.207 1.00 0.00 C ATOM 1341 CG TYR A 86 4.114 -0.657 -8.402 1.00 0.00 C ATOM 1342 CD1 TYR A 86 3.101 -0.956 -9.296 1.00 0.00 C ATOM 1343 CD2 TYR A 86 4.000 0.487 -7.637 1.00 0.00 C ATOM 1344 CE1 TYR A 86 2.025 -0.136 -9.427 1.00 0.00 C ATOM 1345 CE2 TYR A 86 2.924 1.301 -7.755 1.00 0.00 C ATOM 1346 CZ TYR A 86 1.942 0.991 -8.643 1.00 0.00 C ATOM 1347 OH TYR A 86 0.871 1.795 -8.747 1.00 0.00 O ATOM 0 H TYR A 86 5.211 -1.610 -5.461 1.00 0.00 H new ATOM 0 HA TYR A 86 4.140 -3.289 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.129 -1.013 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.543 -2.022 -9.164 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.166 -1.851 -9.897 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.781 0.736 -6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.245 -0.366 -10.138 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.846 2.191 -7.148 1.00 0.00 H new ATOM 0 HH TYR A 86 1.021 2.609 -8.223 1.00 0.00 H new ATOM 1357 N THR A 87 5.936 -4.796 -7.102 1.00 0.00 N ATOM 1358 CA THR A 87 6.963 -5.725 -6.967 1.00 0.00 C ATOM 1359 C THR A 87 7.647 -5.801 -8.303 1.00 0.00 C ATOM 1360 O THR A 87 7.105 -6.349 -9.261 1.00 0.00 O ATOM 1361 CB THR A 87 6.379 -7.082 -6.590 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.512 -6.923 -5.458 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.468 -8.060 -6.241 1.00 0.00 C ATOM 0 H THR A 87 5.026 -5.207 -7.311 1.00 0.00 H new ATOM 0 HA THR A 87 7.667 -5.437 -6.186 1.00 0.00 H new ATOM 0 HB THR A 87 5.824 -7.470 -7.444 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.047 -6.726 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.024 -9.020 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.129 -8.190 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.041 -7.680 -5.396 1.00 0.00 H new ATOM 1371 N VAL A 88 8.773 -5.198 -8.383 1.00 0.00 N ATOM 1372 CA VAL A 88 9.507 -5.134 -9.592 1.00 0.00 C ATOM 1373 C VAL A 88 10.696 -6.060 -9.519 1.00 0.00 C ATOM 1374 O VAL A 88 11.329 -6.192 -8.482 1.00 0.00 O ATOM 1375 CB VAL A 88 9.943 -3.681 -9.920 1.00 0.00 C ATOM 1376 CG1 VAL A 88 8.749 -2.821 -10.274 1.00 0.00 C ATOM 1377 CG2 VAL A 88 10.669 -3.068 -8.753 1.00 0.00 C ATOM 0 H VAL A 88 9.220 -4.726 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 88 8.859 -5.460 -10.405 1.00 0.00 H new ATOM 0 HB VAL A 88 10.613 -3.726 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.084 -1.808 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.245 -3.239 -11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.057 -2.795 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.966 -2.050 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.011 -3.051 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.556 -3.659 -8.525 1.00 0.00 H new ATOM 1387 N VAL A 89 10.968 -6.690 -10.599 1.00 0.00 N ATOM 1388 CA VAL A 89 12.015 -7.660 -10.705 1.00 0.00 C ATOM 1389 C VAL A 89 13.198 -7.061 -11.426 1.00 0.00 C ATOM 1390 O VAL A 89 13.078 -6.532 -12.542 1.00 0.00 O ATOM 1391 CB VAL A 89 11.532 -9.004 -11.370 1.00 0.00 C ATOM 1392 CG1 VAL A 89 10.919 -8.800 -12.753 1.00 0.00 C ATOM 1393 CG2 VAL A 89 12.654 -10.033 -11.422 1.00 0.00 C ATOM 0 H VAL A 89 10.456 -6.547 -11.469 1.00 0.00 H new ATOM 0 HA VAL A 89 12.326 -7.931 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 89 10.739 -9.389 -10.729 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.606 -9.762 -13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.054 -8.141 -12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.658 -8.351 -13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.287 -10.948 -11.886 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.484 -9.637 -12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.995 -10.251 -10.410 1.00 0.00 H new ATOM 1403 N PHE A 90 14.307 -7.088 -10.766 1.00 0.00 N ATOM 1404 CA PHE A 90 15.522 -6.528 -11.271 1.00 0.00 C ATOM 1405 C PHE A 90 16.272 -7.547 -12.079 1.00 0.00 C ATOM 1406 O PHE A 90 15.903 -8.725 -12.091 1.00 0.00 O ATOM 1407 CB PHE A 90 16.383 -6.004 -10.120 1.00 0.00 C ATOM 1408 CG PHE A 90 15.784 -4.817 -9.422 1.00 0.00 C ATOM 1409 CD1 PHE A 90 14.699 -4.964 -8.576 1.00 0.00 C ATOM 1410 CD2 PHE A 90 16.308 -3.558 -9.615 1.00 0.00 C ATOM 1411 CE1 PHE A 90 14.150 -3.879 -7.942 1.00 0.00 C ATOM 1412 CE2 PHE A 90 15.763 -2.465 -8.984 1.00 0.00 C ATOM 1413 CZ PHE A 90 14.680 -2.627 -8.147 1.00 0.00 C ATOM 0 H PHE A 90 14.399 -7.508 -9.841 1.00 0.00 H new ATOM 0 HA PHE A 90 15.277 -5.690 -11.924 1.00 0.00 H new ATOM 0 HB2 PHE A 90 16.535 -6.804 -9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 90 17.366 -5.732 -10.505 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.279 -5.946 -8.413 1.00 0.00 H new ATOM 0 HD2 PHE A 90 17.157 -3.428 -10.270 1.00 0.00 H new ATOM 0 HE1 PHE A 90 13.304 -4.008 -7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 90 16.182 -1.483 -9.144 1.00 0.00 H new ATOM 0 HZ PHE A 90 14.248 -1.770 -7.652 1.00 0.00 H new ATOM 1423 N ASP A 91 17.340 -7.099 -12.704 1.00 0.00 N ATOM 1424 CA ASP A 91 18.178 -7.912 -13.598 1.00 0.00 C ATOM 1425 C ASP A 91 18.682 -9.177 -12.901 1.00 0.00 C ATOM 1426 O ASP A 91 18.792 -10.233 -13.513 1.00 0.00 O ATOM 1427 CB ASP A 91 19.369 -7.073 -14.069 1.00 0.00 C ATOM 1428 CG ASP A 91 20.184 -7.720 -15.169 1.00 0.00 C ATOM 1429 OD1 ASP A 91 20.924 -8.671 -14.907 1.00 0.00 O ATOM 1430 OD2 ASP A 91 20.151 -7.225 -16.312 1.00 0.00 O ATOM 0 H ASP A 91 17.668 -6.138 -12.611 1.00 0.00 H new ATOM 0 HA ASP A 91 17.572 -8.221 -14.450 1.00 0.00 H new ATOM 0 HB2 ASP A 91 19.004 -6.108 -14.422 1.00 0.00 H new ATOM 0 HB3 ASP A 91 20.020 -6.875 -13.217 1.00 0.00 H new ATOM 1435 N ASP A 92 18.930 -9.073 -11.596 1.00 0.00 N ATOM 1436 CA ASP A 92 19.447 -10.205 -10.815 1.00 0.00 C ATOM 1437 C ASP A 92 18.386 -11.294 -10.630 1.00 0.00 C ATOM 1438 O ASP A 92 18.708 -12.459 -10.381 1.00 0.00 O ATOM 1439 CB ASP A 92 19.933 -9.727 -9.440 1.00 0.00 C ATOM 1440 CG ASP A 92 20.584 -10.833 -8.627 1.00 0.00 C ATOM 1441 OD1 ASP A 92 21.781 -11.120 -8.859 1.00 0.00 O ATOM 1442 OD2 ASP A 92 19.920 -11.450 -7.765 1.00 0.00 O ATOM 0 H ASP A 92 18.783 -8.221 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 92 20.282 -10.630 -11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.646 -8.914 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 92 19.089 -9.322 -8.882 1.00 0.00 H new ATOM 1447 N GLY A 93 17.142 -10.938 -10.842 1.00 0.00 N ATOM 1448 CA GLY A 93 16.062 -11.865 -10.622 1.00 0.00 C ATOM 1449 C GLY A 93 15.415 -11.637 -9.278 1.00 0.00 C ATOM 1450 O GLY A 93 14.555 -12.411 -8.850 1.00 0.00 O ATOM 0 H GLY A 93 16.854 -10.015 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.318 -11.755 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.438 -12.886 -10.679 1.00 0.00 H new ATOM 1454 N ASP A 94 15.832 -10.582 -8.618 1.00 0.00 N ATOM 1455 CA ASP A 94 15.293 -10.213 -7.321 1.00 0.00 C ATOM 1456 C ASP A 94 14.151 -9.307 -7.540 1.00 0.00 C ATOM 1457 O ASP A 94 14.221 -8.409 -8.379 1.00 0.00 O ATOM 1458 CB ASP A 94 16.337 -9.487 -6.475 1.00 0.00 C ATOM 1459 CG ASP A 94 15.842 -9.062 -5.088 1.00 0.00 C ATOM 1460 OD1 ASP A 94 15.946 -9.863 -4.130 1.00 0.00 O ATOM 1461 OD2 ASP A 94 15.383 -7.926 -4.917 1.00 0.00 O ATOM 0 H ASP A 94 16.556 -9.951 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 94 14.990 -11.117 -6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 94 17.205 -10.136 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.673 -8.602 -7.015 1.00 0.00 H new ATOM 1466 N GLU A 95 13.111 -9.545 -6.857 1.00 0.00 N ATOM 1467 CA GLU A 95 11.978 -8.703 -6.954 1.00 0.00 C ATOM 1468 C GLU A 95 11.795 -7.937 -5.668 1.00 0.00 C ATOM 1469 O GLU A 95 11.775 -8.516 -4.573 1.00 0.00 O ATOM 1470 CB GLU A 95 10.691 -9.440 -7.389 1.00 0.00 C ATOM 1471 CG GLU A 95 10.163 -10.517 -6.438 1.00 0.00 C ATOM 1472 CD GLU A 95 10.951 -11.791 -6.474 1.00 0.00 C ATOM 1473 OE1 GLU A 95 12.005 -11.882 -5.810 1.00 0.00 O ATOM 1474 OE2 GLU A 95 10.517 -12.739 -7.184 1.00 0.00 O ATOM 0 H GLU A 95 13.011 -10.328 -6.211 1.00 0.00 H new ATOM 0 HA GLU A 95 12.171 -7.994 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.906 -8.698 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.874 -9.902 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.168 -10.125 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.125 -10.735 -6.690 1.00 0.00 H new ATOM 1481 N ARG A 96 11.671 -6.659 -5.790 1.00 0.00 N ATOM 1482 CA ARG A 96 11.551 -5.806 -4.655 1.00 0.00 C ATOM 1483 C ARG A 96 10.270 -5.023 -4.809 1.00 0.00 C ATOM 1484 O ARG A 96 9.919 -4.628 -5.916 1.00 0.00 O ATOM 1485 CB ARG A 96 12.757 -4.874 -4.591 1.00 0.00 C ATOM 1486 CG ARG A 96 13.019 -4.258 -3.232 1.00 0.00 C ATOM 1487 CD ARG A 96 13.303 -5.333 -2.185 1.00 0.00 C ATOM 1488 NE ARG A 96 13.765 -4.758 -0.924 1.00 0.00 N ATOM 1489 CZ ARG A 96 13.511 -5.250 0.302 1.00 0.00 C ATOM 1490 NH1 ARG A 96 12.729 -6.311 0.457 1.00 0.00 N ATOM 1491 NH2 ARG A 96 14.049 -4.678 1.371 1.00 0.00 N ATOM 0 H ARG A 96 11.650 -6.172 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 96 11.523 -6.380 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.643 -5.429 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.616 -4.072 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.867 -3.576 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.156 -3.666 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.399 -5.915 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.056 -6.022 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 96 14.329 -3.910 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.314 -6.762 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.543 -6.676 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.655 -3.865 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.856 -5.051 2.300 1.00 0.00 H new ATOM 1505 N THR A 97 9.572 -4.824 -3.741 1.00 0.00 N ATOM 1506 CA THR A 97 8.305 -4.168 -3.794 1.00 0.00 C ATOM 1507 C THR A 97 8.411 -2.726 -3.300 1.00 0.00 C ATOM 1508 O THR A 97 8.614 -2.481 -2.106 1.00 0.00 O ATOM 1509 CB THR A 97 7.290 -4.959 -2.961 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.289 -6.332 -3.399 1.00 0.00 O ATOM 1511 CG2 THR A 97 5.913 -4.398 -3.133 1.00 0.00 C ATOM 0 H THR A 97 9.862 -5.111 -2.806 1.00 0.00 H new ATOM 0 HA THR A 97 7.967 -4.132 -4.830 1.00 0.00 H new ATOM 0 HB THR A 97 7.572 -4.891 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.643 -6.844 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.208 -4.974 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.901 -3.358 -2.808 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.626 -4.453 -4.183 1.00 0.00 H new ATOM 1519 N LEU A 98 8.299 -1.782 -4.216 1.00 0.00 N ATOM 1520 CA LEU A 98 8.379 -0.364 -3.864 1.00 0.00 C ATOM 1521 C LEU A 98 7.048 0.308 -4.199 1.00 0.00 C ATOM 1522 O LEU A 98 6.141 -0.338 -4.712 1.00 0.00 O ATOM 1523 CB LEU A 98 9.500 0.368 -4.647 1.00 0.00 C ATOM 1524 CG LEU A 98 10.909 -0.256 -4.692 1.00 0.00 C ATOM 1525 CD1 LEU A 98 11.884 0.718 -5.325 1.00 0.00 C ATOM 1526 CD2 LEU A 98 11.395 -0.690 -3.317 1.00 0.00 C ATOM 0 H LEU A 98 8.153 -1.964 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 98 8.603 -0.301 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.160 0.487 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.596 1.369 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 98 10.852 -1.157 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 98 12.878 0.271 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.560 0.949 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 98 11.916 1.635 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 98 12.392 -1.123 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.431 0.175 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.711 -1.433 -2.907 1.00 0.00 H new ATOM 1538 N ARG A 99 6.934 1.586 -3.906 1.00 0.00 N ATOM 1539 CA ARG A 99 5.752 2.352 -4.272 1.00 0.00 C ATOM 1540 C ARG A 99 6.057 3.122 -5.546 1.00 0.00 C ATOM 1541 O ARG A 99 7.229 3.283 -5.899 1.00 0.00 O ATOM 1542 CB ARG A 99 5.355 3.339 -3.167 1.00 0.00 C ATOM 1543 CG ARG A 99 4.933 2.702 -1.856 1.00 0.00 C ATOM 1544 CD ARG A 99 4.566 3.762 -0.822 1.00 0.00 C ATOM 1545 NE ARG A 99 3.421 4.604 -1.238 1.00 0.00 N ATOM 1546 CZ ARG A 99 3.252 5.900 -0.888 1.00 0.00 C ATOM 1547 NH1 ARG A 99 4.174 6.512 -0.138 1.00 0.00 N ATOM 1548 NH2 ARG A 99 2.167 6.579 -1.283 1.00 0.00 N ATOM 0 H ARG A 99 7.647 2.123 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 99 4.920 1.664 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.197 4.004 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.536 3.959 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.080 2.045 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.743 2.081 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.326 3.273 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.431 4.399 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 99 2.709 4.177 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.002 6.002 0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.049 7.489 0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.457 6.119 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.050 7.556 -1.013 1.00 0.00 H new ATOM 1562 N ARG A 100 5.025 3.644 -6.211 1.00 0.00 N ATOM 1563 CA ARG A 100 5.207 4.386 -7.482 1.00 0.00 C ATOM 1564 C ARG A 100 6.065 5.638 -7.264 1.00 0.00 C ATOM 1565 O ARG A 100 6.766 6.080 -8.150 1.00 0.00 O ATOM 1566 CB ARG A 100 3.854 4.782 -8.110 1.00 0.00 C ATOM 1567 CG ARG A 100 3.084 5.802 -7.303 1.00 0.00 C ATOM 1568 CD ARG A 100 1.722 6.117 -7.896 1.00 0.00 C ATOM 1569 NE ARG A 100 1.048 7.132 -7.092 1.00 0.00 N ATOM 1570 CZ ARG A 100 0.556 6.936 -5.868 1.00 0.00 C ATOM 1571 NH1 ARG A 100 0.391 5.706 -5.403 1.00 0.00 N ATOM 1572 NH2 ARG A 100 0.168 7.967 -5.134 1.00 0.00 N ATOM 0 H ARG A 100 4.056 3.573 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 100 5.720 3.718 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.030 5.180 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.242 3.887 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.955 5.431 -6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.667 6.721 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.836 6.470 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.116 5.212 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 100 0.945 8.062 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.641 4.904 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.014 5.561 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.245 8.914 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.208 7.814 -4.198 1.00 0.00 H new ATOM 1586 N THR A 101 6.056 6.137 -6.048 1.00 0.00 N ATOM 1587 CA THR A 101 6.779 7.316 -5.653 1.00 0.00 C ATOM 1588 C THR A 101 8.301 7.064 -5.559 1.00 0.00 C ATOM 1589 O THR A 101 9.080 7.951 -5.199 1.00 0.00 O ATOM 1590 CB THR A 101 6.205 7.771 -4.321 1.00 0.00 C ATOM 1591 OG1 THR A 101 5.814 6.586 -3.595 1.00 0.00 O ATOM 1592 CG2 THR A 101 4.985 8.653 -4.538 1.00 0.00 C ATOM 0 H THR A 101 5.526 5.716 -5.285 1.00 0.00 H new ATOM 0 HA THR A 101 6.660 8.094 -6.407 1.00 0.00 H new ATOM 0 HB THR A 101 6.948 8.348 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.440 6.843 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.588 8.969 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 101 5.269 9.531 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.222 8.092 -5.078 1.00 0.00 H new ATOM 1600 N SER A 102 8.706 5.855 -5.868 1.00 0.00 N ATOM 1601 CA SER A 102 10.086 5.503 -5.920 1.00 0.00 C ATOM 1602 C SER A 102 10.368 4.848 -7.282 1.00 0.00 C ATOM 1603 O SER A 102 11.451 4.296 -7.512 1.00 0.00 O ATOM 1604 CB SER A 102 10.420 4.547 -4.753 1.00 0.00 C ATOM 1605 OG SER A 102 11.808 4.255 -4.682 1.00 0.00 O ATOM 0 H SER A 102 8.072 5.088 -6.091 1.00 0.00 H new ATOM 0 HA SER A 102 10.716 6.386 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.096 4.995 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.861 3.619 -4.873 1.00 0.00 H new ATOM 0 HG SER A 102 12.170 4.166 -5.588 1.00 0.00 H new ATOM 1611 N LEU A 103 9.397 4.951 -8.184 1.00 0.00 N ATOM 1612 CA LEU A 103 9.467 4.346 -9.508 1.00 0.00 C ATOM 1613 C LEU A 103 9.314 5.387 -10.597 1.00 0.00 C ATOM 1614 O LEU A 103 8.815 6.482 -10.365 1.00 0.00 O ATOM 1615 CB LEU A 103 8.400 3.245 -9.698 1.00 0.00 C ATOM 1616 CG LEU A 103 8.795 1.787 -9.371 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.260 1.622 -7.944 1.00 0.00 C ATOM 1618 CD2 LEU A 103 7.623 0.865 -9.644 1.00 0.00 C ATOM 0 H LEU A 103 8.531 5.462 -8.014 1.00 0.00 H new ATOM 0 HA LEU A 103 10.453 3.888 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.539 3.504 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.069 3.276 -10.736 1.00 0.00 H new ATOM 0 HG LEU A 103 9.634 1.524 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.525 0.580 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.131 2.253 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.459 1.914 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.906 -0.162 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.777 1.158 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.342 0.935 -10.695 1.00 0.00 H new ATOM 1630 N CYS A 104 9.736 5.026 -11.761 1.00 0.00 N ATOM 1631 CA CYS A 104 9.707 5.857 -12.907 1.00 0.00 C ATOM 1632 C CYS A 104 9.181 4.993 -14.068 1.00 0.00 C ATOM 1633 O CYS A 104 8.334 4.139 -13.856 1.00 0.00 O ATOM 1634 CB CYS A 104 11.147 6.364 -13.162 1.00 0.00 C ATOM 1635 SG CYS A 104 11.314 7.630 -14.451 1.00 0.00 S ATOM 0 H CYS A 104 10.127 4.102 -11.943 1.00 0.00 H new ATOM 0 HA CYS A 104 9.061 6.727 -12.791 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.542 6.766 -12.229 1.00 0.00 H new ATOM 0 HB3 CYS A 104 11.771 5.512 -13.431 1.00 0.00 H new ATOM 0 HG CYS A 104 12.331 8.393 -14.180 1.00 0.00 H new ATOM 1641 N LEU A 105 9.692 5.203 -15.253 1.00 0.00 N ATOM 1642 CA LEU A 105 9.286 4.496 -16.450 1.00 0.00 C ATOM 1643 C LEU A 105 10.529 4.230 -17.270 1.00 0.00 C ATOM 1644 O LEU A 105 11.573 4.851 -17.017 1.00 0.00 O ATOM 1645 CB LEU A 105 8.294 5.337 -17.283 1.00 0.00 C ATOM 1646 CG LEU A 105 6.937 5.676 -16.641 1.00 0.00 C ATOM 1647 CD1 LEU A 105 6.141 6.588 -17.555 1.00 0.00 C ATOM 1648 CD2 LEU A 105 6.139 4.409 -16.352 1.00 0.00 C ATOM 0 H LEU A 105 10.425 5.891 -15.422 1.00 0.00 H new ATOM 0 HA LEU A 105 8.788 3.567 -16.174 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.785 6.274 -17.546 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.102 4.805 -18.215 1.00 0.00 H new ATOM 0 HG LEU A 105 7.126 6.187 -15.697 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.183 6.822 -17.091 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.697 7.510 -17.723 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.970 6.088 -18.509 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.184 4.676 -15.899 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.961 3.871 -17.283 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.701 3.773 -15.667 1.00 0.00 H new ATOM 1660 N LYS A 106 10.432 3.329 -18.228 1.00 0.00 N ATOM 1661 CA LYS A 106 11.553 2.994 -19.090 1.00 0.00 C ATOM 1662 C LYS A 106 11.876 4.207 -19.960 1.00 0.00 C ATOM 1663 O LYS A 106 10.971 4.852 -20.508 1.00 0.00 O ATOM 1664 CB LYS A 106 11.194 1.788 -19.979 1.00 0.00 C ATOM 1665 CG LYS A 106 12.362 0.857 -20.342 1.00 0.00 C ATOM 1666 CD LYS A 106 13.458 1.512 -21.171 1.00 0.00 C ATOM 1667 CE LYS A 106 14.606 0.540 -21.389 1.00 0.00 C ATOM 1668 NZ LYS A 106 15.710 1.117 -22.188 1.00 0.00 N ATOM 0 H LYS A 106 9.578 2.809 -18.432 1.00 0.00 H new ATOM 0 HA LYS A 106 12.420 2.729 -18.485 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.429 1.200 -19.471 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.749 2.160 -20.902 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.801 0.471 -19.422 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.970 0.001 -20.892 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.055 1.831 -22.132 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.821 2.407 -20.665 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.994 0.221 -20.421 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.229 -0.351 -21.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.462 0.408 -22.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.352 1.397 -23.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.092 1.952 -21.700 1.00 0.00 H new ATOM 1682 N GLY A 107 13.135 4.540 -20.031 1.00 0.00 N ATOM 1683 CA GLY A 107 13.567 5.644 -20.835 1.00 0.00 C ATOM 1684 C GLY A 107 14.309 6.632 -19.999 1.00 0.00 C ATOM 1685 O GLY A 107 15.049 7.481 -20.530 1.00 0.00 O ATOM 0 H GLY A 107 13.884 4.056 -19.536 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.207 5.287 -21.642 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.706 6.124 -21.299 1.00 0.00 H new ATOM 1689 N GLU A 108 14.139 6.482 -18.674 1.00 0.00 N ATOM 1690 CA GLU A 108 14.741 7.342 -17.658 1.00 0.00 C ATOM 1691 C GLU A 108 14.175 8.752 -17.773 1.00 0.00 C ATOM 1692 O GLU A 108 14.605 9.558 -18.615 1.00 0.00 O ATOM 1693 CB GLU A 108 16.265 7.347 -17.765 1.00 0.00 C ATOM 1694 CG GLU A 108 16.985 8.164 -16.715 1.00 0.00 C ATOM 1695 CD GLU A 108 18.443 8.285 -17.034 1.00 0.00 C ATOM 1696 OE1 GLU A 108 19.208 7.332 -16.770 1.00 0.00 O ATOM 1697 OE2 GLU A 108 18.849 9.322 -17.607 1.00 0.00 O ATOM 0 H GLU A 108 13.564 5.739 -18.277 1.00 0.00 H new ATOM 0 HA GLU A 108 14.491 6.944 -16.674 1.00 0.00 H new ATOM 0 HB2 GLU A 108 16.620 6.318 -17.707 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.542 7.725 -18.749 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.539 9.157 -16.653 1.00 0.00 H new ATOM 0 HG3 GLU A 108 16.861 7.697 -15.738 1.00 0.00 H new ATOM 1704 N ARG A 109 13.193 9.034 -16.972 1.00 0.00 N ATOM 1705 CA ARG A 109 12.544 10.316 -17.010 1.00 0.00 C ATOM 1706 C ARG A 109 13.003 11.123 -15.826 1.00 0.00 C ATOM 1707 O ARG A 109 13.612 10.574 -14.898 1.00 0.00 O ATOM 1708 CB ARG A 109 11.028 10.156 -16.986 1.00 0.00 C ATOM 1709 CG ARG A 109 10.481 9.241 -18.074 1.00 0.00 C ATOM 1710 CD ARG A 109 8.972 9.286 -18.100 1.00 0.00 C ATOM 1711 NE ARG A 109 8.491 10.625 -18.445 1.00 0.00 N ATOM 1712 CZ ARG A 109 7.577 11.326 -17.769 1.00 0.00 C ATOM 1713 NH1 ARG A 109 7.025 10.823 -16.662 1.00 0.00 N ATOM 1714 NH2 ARG A 109 7.236 12.531 -18.199 1.00 0.00 N ATOM 0 H ARG A 109 12.818 8.389 -16.276 1.00 0.00 H new ATOM 0 HA ARG A 109 12.809 10.829 -17.934 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.730 9.764 -16.013 1.00 0.00 H new ATOM 0 HB3 ARG A 109 10.568 11.139 -17.088 1.00 0.00 H new ATOM 0 HG2 ARG A 109 10.876 9.544 -19.044 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.816 8.219 -17.899 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.596 8.563 -18.824 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.579 8.995 -17.126 1.00 0.00 H new ATOM 0 HE ARG A 109 8.890 11.062 -19.276 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.301 9.899 -16.329 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.327 11.363 -16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.670 12.915 -19.038 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.539 13.076 -17.691 1.00 0.00 H new ATOM 1728 N HIS A 110 12.713 12.398 -15.821 1.00 0.00 N ATOM 1729 CA HIS A 110 13.159 13.241 -14.750 1.00 0.00 C ATOM 1730 C HIS A 110 12.253 13.104 -13.530 1.00 0.00 C ATOM 1731 O HIS A 110 11.338 13.893 -13.309 1.00 0.00 O ATOM 1732 CB HIS A 110 13.331 14.715 -15.182 1.00 0.00 C ATOM 1733 CG HIS A 110 13.895 15.588 -14.099 1.00 0.00 C ATOM 1734 ND1 HIS A 110 13.190 16.602 -13.496 1.00 0.00 N ATOM 1735 CD2 HIS A 110 15.101 15.564 -13.494 1.00 0.00 C ATOM 1736 CE1 HIS A 110 13.939 17.155 -12.568 1.00 0.00 C ATOM 1737 NE2 HIS A 110 15.094 16.539 -12.553 1.00 0.00 N ATOM 0 H HIS A 110 12.172 12.871 -16.545 1.00 0.00 H new ATOM 0 HA HIS A 110 14.153 12.895 -14.466 1.00 0.00 H new ATOM 0 HB2 HIS A 110 13.986 14.758 -16.052 1.00 0.00 H new ATOM 0 HB3 HIS A 110 12.364 15.111 -15.492 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.918 14.894 -13.718 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.651 17.976 -11.928 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.870 16.759 -11.929 1.00 0.00 H new ATOM 1746 N PHE A 111 12.481 12.053 -12.800 1.00 0.00 N ATOM 1747 CA PHE A 111 11.787 11.789 -11.557 1.00 0.00 C ATOM 1748 C PHE A 111 12.815 11.945 -10.427 1.00 0.00 C ATOM 1749 O PHE A 111 12.602 11.567 -9.275 1.00 0.00 O ATOM 1750 CB PHE A 111 11.181 10.370 -11.611 1.00 0.00 C ATOM 1751 CG PHE A 111 10.217 10.036 -10.502 1.00 0.00 C ATOM 1752 CD1 PHE A 111 8.966 10.621 -10.466 1.00 0.00 C ATOM 1753 CD2 PHE A 111 10.563 9.143 -9.503 1.00 0.00 C ATOM 1754 CE1 PHE A 111 8.073 10.323 -9.458 1.00 0.00 C ATOM 1755 CE2 PHE A 111 9.677 8.842 -8.491 1.00 0.00 C ATOM 1756 CZ PHE A 111 8.429 9.432 -8.470 1.00 0.00 C ATOM 0 H PHE A 111 13.164 11.338 -13.048 1.00 0.00 H new ATOM 0 HA PHE A 111 10.963 12.481 -11.385 1.00 0.00 H new ATOM 0 HB2 PHE A 111 10.667 10.249 -12.565 1.00 0.00 H new ATOM 0 HB3 PHE A 111 11.995 9.645 -11.593 1.00 0.00 H new ATOM 0 HD1 PHE A 111 8.683 11.321 -11.238 1.00 0.00 H new ATOM 0 HD2 PHE A 111 11.537 8.677 -9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 111 7.098 10.787 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 111 9.959 8.145 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 111 7.732 9.195 -7.679 1.00 0.00 H new ATOM 1766 N ALA A 112 13.934 12.539 -10.805 1.00 0.00 N ATOM 1767 CA ALA A 112 15.035 12.814 -9.912 1.00 0.00 C ATOM 1768 C ALA A 112 14.742 14.078 -9.101 1.00 0.00 C ATOM 1769 O ALA A 112 13.638 14.638 -9.201 1.00 0.00 O ATOM 1770 CB ALA A 112 16.321 12.967 -10.714 1.00 0.00 C ATOM 0 H ALA A 112 14.101 12.848 -11.763 1.00 0.00 H new ATOM 0 HA ALA A 112 15.159 11.983 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.150 13.174 -10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.521 12.045 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 112 16.214 13.791 -11.419 1.00 0.00 H new ATOM 1776 N GLU A 113 15.746 14.552 -8.368 1.00 0.00 N ATOM 1777 CA GLU A 113 15.613 15.662 -7.432 1.00 0.00 C ATOM 1778 C GLU A 113 14.548 15.399 -6.384 1.00 0.00 C ATOM 1779 O GLU A 113 13.396 15.840 -6.477 1.00 0.00 O ATOM 1780 CB GLU A 113 15.468 17.040 -8.093 1.00 0.00 C ATOM 1781 CG GLU A 113 16.765 17.607 -8.685 1.00 0.00 C ATOM 1782 CD GLU A 113 17.327 16.816 -9.845 1.00 0.00 C ATOM 1783 OE1 GLU A 113 18.065 15.838 -9.622 1.00 0.00 O ATOM 1784 OE2 GLU A 113 17.063 17.188 -11.009 1.00 0.00 O ATOM 0 H GLU A 113 16.690 14.168 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 113 16.571 15.712 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.723 16.971 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.084 17.744 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 113 16.582 18.630 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.517 17.656 -7.898 1.00 0.00 H new ATOM 1791 N SER A 114 14.935 14.596 -5.449 1.00 0.00 N ATOM 1792 CA SER A 114 14.144 14.183 -4.333 1.00 0.00 C ATOM 1793 C SER A 114 15.118 13.753 -3.257 1.00 0.00 C ATOM 1794 O SER A 114 16.342 13.902 -3.465 1.00 0.00 O ATOM 1795 CB SER A 114 13.199 13.034 -4.725 1.00 0.00 C ATOM 1796 OG SER A 114 12.228 13.466 -5.678 1.00 0.00 O ATOM 0 H SER A 114 15.868 14.185 -5.442 1.00 0.00 H new ATOM 0 HA SER A 114 13.507 14.993 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.778 12.209 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 114 12.696 12.654 -3.836 1.00 0.00 H new ATOM 0 HG SER A 114 12.428 14.384 -5.956 1.00 0.00 H new ATOM 1802 N GLU A 115 14.609 13.205 -2.157 1.00 0.00 N ATOM 1803 CA GLU A 115 15.410 12.840 -0.999 1.00 0.00 C ATOM 1804 C GLU A 115 15.917 14.091 -0.313 1.00 0.00 C ATOM 1805 O GLU A 115 16.904 14.715 -0.746 1.00 0.00 O ATOM 1806 CB GLU A 115 16.552 11.827 -1.295 1.00 0.00 C ATOM 1807 CG GLU A 115 16.118 10.366 -1.507 1.00 0.00 C ATOM 1808 CD GLU A 115 15.300 10.095 -2.758 1.00 0.00 C ATOM 1809 OE1 GLU A 115 14.111 10.438 -2.796 1.00 0.00 O ATOM 1810 OE2 GLU A 115 15.809 9.433 -3.695 1.00 0.00 O ATOM 0 H GLU A 115 13.616 13.001 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 115 14.751 12.299 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 115 17.085 12.160 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 115 17.262 11.858 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.011 9.742 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 115 15.538 10.050 -0.640 1.00 0.00 H new ATOM 1817 N THR A 116 15.187 14.473 0.718 1.00 0.00 N ATOM 1818 CA THR A 116 15.402 15.661 1.503 1.00 0.00 C ATOM 1819 C THR A 116 16.870 15.796 1.935 1.00 0.00 C ATOM 1820 O THR A 116 17.495 16.840 1.729 1.00 0.00 O ATOM 1821 CB THR A 116 14.492 15.571 2.723 1.00 0.00 C ATOM 1822 OG1 THR A 116 13.229 15.021 2.285 1.00 0.00 O ATOM 1823 CG2 THR A 116 14.259 16.945 3.312 1.00 0.00 C ATOM 0 H THR A 116 14.387 13.930 1.043 1.00 0.00 H new ATOM 0 HA THR A 116 15.170 16.544 0.908 1.00 0.00 H new ATOM 0 HB THR A 116 14.953 14.944 3.486 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.621 14.949 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.607 16.862 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 116 15.213 17.378 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.789 17.586 2.566 1.00 0.00 H new ATOM 1831 N LEU A 117 17.416 14.743 2.494 1.00 0.00 N ATOM 1832 CA LEU A 117 18.808 14.729 2.850 1.00 0.00 C ATOM 1833 C LEU A 117 19.600 14.212 1.672 1.00 0.00 C ATOM 1834 O LEU A 117 19.606 13.001 1.385 1.00 0.00 O ATOM 1835 CB LEU A 117 19.102 13.894 4.121 1.00 0.00 C ATOM 1836 CG LEU A 117 18.621 14.460 5.477 1.00 0.00 C ATOM 1837 CD1 LEU A 117 17.105 14.463 5.603 1.00 0.00 C ATOM 1838 CD2 LEU A 117 19.255 13.695 6.626 1.00 0.00 C ATOM 0 H LEU A 117 16.912 13.883 2.712 1.00 0.00 H new ATOM 0 HA LEU A 117 19.106 15.749 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 117 18.651 12.911 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 117 20.180 13.745 4.183 1.00 0.00 H new ATOM 0 HG LEU A 117 18.942 15.501 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.821 14.870 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.675 15.078 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.730 13.443 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 117 18.906 14.106 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.975 12.644 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 117 20.340 13.786 6.569 1.00 0.00 H new ATOM 1850 N ASP A 118 20.184 15.119 0.951 1.00 0.00 N ATOM 1851 CA ASP A 118 20.965 14.782 -0.206 1.00 0.00 C ATOM 1852 C ASP A 118 22.408 14.591 0.183 1.00 0.00 C ATOM 1853 O ASP A 118 22.936 13.489 -0.005 1.00 0.00 O ATOM 1854 CB ASP A 118 20.798 15.809 -1.350 1.00 0.00 C ATOM 1855 CG ASP A 118 21.336 17.195 -1.059 1.00 0.00 C ATOM 1856 OD1 ASP A 118 20.719 17.933 -0.255 1.00 0.00 O ATOM 1857 OD2 ASP A 118 22.370 17.591 -1.657 1.00 0.00 O ATOM 1858 OXT ASP A 118 23.005 15.506 0.780 1.00 0.00 O ATOM 0 H ASP A 118 20.134 16.119 1.147 1.00 0.00 H new ATOM 0 HA ASP A 118 20.591 13.838 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 118 21.297 15.423 -2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 118 19.738 15.892 -1.590 1.00 0.00 H new TER 1863 ASP A 118