USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 928 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 30 HIS : no HD1:sc= -0.565 X(o=-1.4,f=-1.4) USER MOD Set 1.2: A 38 CYS SG : rot -90:sc= -0.862 USER MOD Set 2.1: A 29 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 90:sc= -1.01 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0794 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.134 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 8:sc= 1.92 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-5.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0942) USER MOD Single : A 36 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.4!) USER MOD Single : A 42 SER OG : rot -76:sc= 0.177 USER MOD Single : A 51 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.9) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= -0.157 (180deg=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -110:sc= -1.41 (180deg=-4.62!) USER MOD Single : A 65 MET CE :methyl -124:sc= -2.62! (180deg=-7.11!) USER MOD Single : A 70 GLN : amide:sc= -0.0235 X(o=-0.023,f=-0.027) USER MOD Single : A 74 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.027) USER MOD Single : A 75 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-2.6!) USER MOD Single : A 76 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.7!) USER MOD Single : A 84 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-2.7!) USER MOD Single : A 86 SER OG : rot 71:sc= 0.177 USER MOD Single : A 88 MET CE :methyl 149:sc= 0 (180deg=-0.0141) USER MOD Single : A 91 HIS : no HD1:sc= -8.82! C(o=-8.8!,f=-9.1!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -64:sc= -1.45 USER MOD Single : A 97 GLN : amide:sc= -2.59! C(o=-2.6!,f=-7.7!) USER MOD Single : A 99 MET CE :methyl 145:sc= -0.732 (180deg=-0.974) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.854) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.730 19.148 -24.390 1.00 0.00 N ATOM 2 CA GLY A 1 -20.785 18.505 -23.493 1.00 0.00 C ATOM 3 C GLY A 1 -21.509 17.820 -22.333 1.00 0.00 C ATOM 4 O GLY A 1 -22.704 17.541 -22.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.570 18.813 -25.361 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.700 18.913 -24.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.597 20.179 -24.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.197 17.771 -24.044 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.086 19.245 -23.104 1.00 0.00 H new ATOM 8 N SER A 2 -20.755 17.569 -21.273 1.00 0.00 N ATOM 9 CA SER A 2 -21.310 16.921 -20.096 1.00 0.00 C ATOM 10 C SER A 2 -21.076 17.792 -18.860 1.00 0.00 C ATOM 11 O SER A 2 -22.027 18.203 -18.197 1.00 0.00 O ATOM 12 CB SER A 2 -20.698 15.534 -19.891 1.00 0.00 C ATOM 13 OG SER A 2 -21.463 14.741 -18.987 1.00 0.00 O ATOM 0 H SER A 2 -19.764 17.802 -21.204 1.00 0.00 H new ATOM 0 HA SER A 2 -22.382 16.797 -20.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.628 15.023 -20.851 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.682 15.639 -19.511 1.00 0.00 H new ATOM 0 HG SER A 2 -21.041 13.863 -18.884 1.00 0.00 H new ATOM 19 N SER A 3 -19.805 18.048 -18.588 1.00 0.00 N ATOM 20 CA SER A 3 -19.434 18.863 -17.443 1.00 0.00 C ATOM 21 C SER A 3 -19.882 18.181 -16.149 1.00 0.00 C ATOM 22 O SER A 3 -20.646 17.218 -16.182 1.00 0.00 O ATOM 23 CB SER A 3 -20.043 20.263 -17.543 1.00 0.00 C ATOM 24 OG SER A 3 -19.225 21.148 -18.304 1.00 0.00 O ATOM 0 H SER A 3 -19.019 17.706 -19.141 1.00 0.00 H new ATOM 0 HA SER A 3 -18.349 18.968 -17.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.030 20.197 -18.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.183 20.670 -16.542 1.00 0.00 H new ATOM 0 HG SER A 3 -19.649 22.031 -18.346 1.00 0.00 H new ATOM 30 N GLY A 4 -19.385 18.707 -15.038 1.00 0.00 N ATOM 31 CA GLY A 4 -19.724 18.161 -13.735 1.00 0.00 C ATOM 32 C GLY A 4 -18.870 18.796 -12.636 1.00 0.00 C ATOM 33 O GLY A 4 -17.958 19.570 -12.922 1.00 0.00 O ATOM 0 H GLY A 4 -18.750 19.505 -15.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.780 18.336 -13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.574 17.081 -13.739 1.00 0.00 H new ATOM 37 N SER A 5 -19.196 18.445 -11.400 1.00 0.00 N ATOM 38 CA SER A 5 -18.470 18.970 -10.257 1.00 0.00 C ATOM 39 C SER A 5 -18.494 17.957 -9.111 1.00 0.00 C ATOM 40 O SER A 5 -19.559 17.619 -8.598 1.00 0.00 O ATOM 41 CB SER A 5 -19.060 20.305 -9.796 1.00 0.00 C ATOM 42 OG SER A 5 -20.474 20.238 -9.639 1.00 0.00 O ATOM 0 H SER A 5 -19.953 17.803 -11.166 1.00 0.00 H new ATOM 0 HA SER A 5 -17.437 19.144 -10.559 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.604 20.596 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.812 21.080 -10.521 1.00 0.00 H new ATOM 0 HG SER A 5 -20.719 19.374 -9.248 1.00 0.00 H new ATOM 48 N SER A 6 -17.306 17.499 -8.744 1.00 0.00 N ATOM 49 CA SER A 6 -17.177 16.530 -7.669 1.00 0.00 C ATOM 50 C SER A 6 -15.850 16.736 -6.936 1.00 0.00 C ATOM 51 O SER A 6 -14.798 16.841 -7.565 1.00 0.00 O ATOM 52 CB SER A 6 -17.272 15.099 -8.202 1.00 0.00 C ATOM 53 OG SER A 6 -17.813 14.204 -7.234 1.00 0.00 O ATOM 0 H SER A 6 -16.424 17.781 -9.172 1.00 0.00 H new ATOM 0 HA SER A 6 -17.999 16.683 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.895 15.086 -9.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.281 14.756 -8.499 1.00 0.00 H new ATOM 0 HG SER A 6 -17.859 13.301 -7.613 1.00 0.00 H new ATOM 59 N GLY A 7 -15.942 16.788 -5.615 1.00 0.00 N ATOM 60 CA GLY A 7 -14.761 16.980 -4.789 1.00 0.00 C ATOM 61 C GLY A 7 -14.720 15.962 -3.648 1.00 0.00 C ATOM 62 O GLY A 7 -15.664 15.197 -3.459 1.00 0.00 O ATOM 0 H GLY A 7 -16.816 16.701 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.865 16.882 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.759 17.990 -4.380 1.00 0.00 H new ATOM 66 N VAL A 8 -13.615 15.985 -2.917 1.00 0.00 N ATOM 67 CA VAL A 8 -13.437 15.074 -1.799 1.00 0.00 C ATOM 68 C VAL A 8 -12.415 15.662 -0.825 1.00 0.00 C ATOM 69 O VAL A 8 -11.230 15.754 -1.144 1.00 0.00 O ATOM 70 CB VAL A 8 -13.046 13.687 -2.312 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.559 12.796 -1.167 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.208 13.031 -3.061 1.00 0.00 C ATOM 0 H VAL A 8 -12.834 16.621 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.372 14.952 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.222 13.810 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.287 11.816 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.688 13.252 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.354 12.684 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.903 12.046 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.061 12.927 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.489 13.651 -3.912 1.00 0.00 H new ATOM 82 N ILE A 9 -12.909 16.043 0.343 1.00 0.00 N ATOM 83 CA ILE A 9 -12.053 16.620 1.366 1.00 0.00 C ATOM 84 C ILE A 9 -12.095 15.738 2.616 1.00 0.00 C ATOM 85 O ILE A 9 -13.138 15.180 2.952 1.00 0.00 O ATOM 86 CB ILE A 9 -12.437 18.077 1.628 1.00 0.00 C ATOM 87 CG1 ILE A 9 -12.432 18.888 0.331 1.00 0.00 C ATOM 88 CG2 ILE A 9 -11.535 18.699 2.696 1.00 0.00 C ATOM 89 CD1 ILE A 9 -11.006 19.271 -0.070 1.00 0.00 C ATOM 0 H ILE A 9 -13.892 15.964 0.604 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.017 16.645 1.027 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.456 18.096 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.895 18.307 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.032 19.789 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.830 19.735 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.633 18.139 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.498 18.666 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.030 19.847 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.555 19.872 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.415 18.367 -0.221 1.00 0.00 H new ATOM 101 N GLU A 10 -10.947 15.640 3.271 1.00 0.00 N ATOM 102 CA GLU A 10 -10.840 14.837 4.477 1.00 0.00 C ATOM 103 C GLU A 10 -9.593 15.233 5.270 1.00 0.00 C ATOM 104 O GLU A 10 -9.689 15.941 6.271 1.00 0.00 O ATOM 105 CB GLU A 10 -10.824 13.344 4.141 1.00 0.00 C ATOM 106 CG GLU A 10 -12.202 12.718 4.361 1.00 0.00 C ATOM 107 CD GLU A 10 -12.078 11.247 4.764 1.00 0.00 C ATOM 108 OE1 GLU A 10 -11.754 10.438 3.867 1.00 0.00 O ATOM 109 OE2 GLU A 10 -12.311 10.964 5.959 1.00 0.00 O ATOM 0 H GLU A 10 -10.083 16.103 2.989 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.716 15.028 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.518 13.204 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.086 12.836 4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.735 13.268 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.793 12.800 3.449 1.00 0.00 H new ATOM 116 N SER A 11 -8.451 14.760 4.792 1.00 0.00 N ATOM 117 CA SER A 11 -7.187 15.056 5.444 1.00 0.00 C ATOM 118 C SER A 11 -7.242 14.626 6.912 1.00 0.00 C ATOM 119 O SER A 11 -7.681 15.390 7.770 1.00 0.00 O ATOM 120 CB SER A 11 -6.849 16.545 5.340 1.00 0.00 C ATOM 121 OG SER A 11 -7.686 17.342 6.173 1.00 0.00 O ATOM 0 H SER A 11 -8.375 14.174 3.961 1.00 0.00 H new ATOM 0 HA SER A 11 -6.401 14.496 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.807 16.700 5.619 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.954 16.869 4.305 1.00 0.00 H new ATOM 0 HG SER A 11 -8.233 16.759 6.740 1.00 0.00 H new ATOM 127 N GLU A 12 -6.789 13.405 7.155 1.00 0.00 N ATOM 128 CA GLU A 12 -6.781 12.865 8.504 1.00 0.00 C ATOM 129 C GLU A 12 -6.078 11.506 8.527 1.00 0.00 C ATOM 130 O GLU A 12 -6.518 10.587 9.217 1.00 0.00 O ATOM 131 CB GLU A 12 -8.202 12.756 9.060 1.00 0.00 C ATOM 132 CG GLU A 12 -8.298 13.393 10.447 1.00 0.00 C ATOM 133 CD GLU A 12 -9.710 13.252 11.019 1.00 0.00 C ATOM 134 OE1 GLU A 12 -10.604 13.959 10.505 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.864 12.440 11.957 1.00 0.00 O ATOM 0 H GLU A 12 -6.425 12.774 6.441 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.227 13.550 9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.900 13.246 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.495 11.708 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.581 12.921 11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.030 14.448 10.386 1.00 0.00 H new ATOM 142 N THR A 13 -4.998 11.421 7.764 1.00 0.00 N ATOM 143 CA THR A 13 -4.231 10.189 7.688 1.00 0.00 C ATOM 144 C THR A 13 -2.783 10.437 8.116 1.00 0.00 C ATOM 145 O THR A 13 -2.199 11.465 7.777 1.00 0.00 O ATOM 146 CB THR A 13 -4.359 9.639 6.266 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.720 9.226 6.175 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.563 8.348 6.064 1.00 0.00 C ATOM 0 H THR A 13 -4.636 12.185 7.193 1.00 0.00 H new ATOM 0 HA THR A 13 -4.617 9.438 8.377 1.00 0.00 H new ATOM 0 HB THR A 13 -4.018 10.391 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.891 8.858 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.688 8.000 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.507 8.538 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.926 7.585 6.753 1.00 0.00 H new ATOM 156 N LEU A 14 -2.245 9.476 8.853 1.00 0.00 N ATOM 157 CA LEU A 14 -0.876 9.577 9.331 1.00 0.00 C ATOM 158 C LEU A 14 -0.029 8.488 8.670 1.00 0.00 C ATOM 159 O LEU A 14 -0.537 7.419 8.335 1.00 0.00 O ATOM 160 CB LEU A 14 -0.838 9.542 10.860 1.00 0.00 C ATOM 161 CG LEU A 14 -1.706 10.579 11.576 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.240 10.027 12.900 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.945 11.892 11.768 1.00 0.00 C ATOM 0 H LEU A 14 -2.732 8.624 9.131 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.443 10.536 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.147 8.550 11.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.195 9.677 11.181 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.569 10.796 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.854 10.784 13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.843 9.140 12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.404 9.764 13.548 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.584 12.612 12.279 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.052 11.711 12.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.656 12.290 10.796 1.00 0.00 H new ATOM 175 N ILE A 15 1.248 8.797 8.501 1.00 0.00 N ATOM 176 CA ILE A 15 2.171 7.859 7.886 1.00 0.00 C ATOM 177 C ILE A 15 2.203 6.569 8.708 1.00 0.00 C ATOM 178 O ILE A 15 2.212 5.473 8.150 1.00 0.00 O ATOM 179 CB ILE A 15 3.546 8.503 7.699 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.473 7.593 6.892 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.156 8.893 9.047 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.799 8.292 6.587 1.00 0.00 C ATOM 0 H ILE A 15 1.666 9.685 8.780 1.00 0.00 H new ATOM 0 HA ILE A 15 1.832 7.592 6.885 1.00 0.00 H new ATOM 0 HB ILE A 15 3.418 9.421 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.662 6.675 7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.986 7.307 5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.133 9.349 8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.502 9.605 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.268 8.003 9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.439 7.623 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.609 9.197 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.295 8.555 7.521 1.00 0.00 H new ATOM 194 N GLU A 16 2.220 6.742 10.022 1.00 0.00 N ATOM 195 CA GLU A 16 2.251 5.606 10.926 1.00 0.00 C ATOM 196 C GLU A 16 0.890 4.907 10.948 1.00 0.00 C ATOM 197 O GLU A 16 0.742 3.847 11.554 1.00 0.00 O ATOM 198 CB GLU A 16 2.669 6.036 12.334 1.00 0.00 C ATOM 199 CG GLU A 16 4.168 6.335 12.394 1.00 0.00 C ATOM 200 CD GLU A 16 4.902 5.290 13.238 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.448 5.062 14.380 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.900 4.743 12.721 1.00 0.00 O ATOM 0 H GLU A 16 2.213 7.653 10.482 1.00 0.00 H new ATOM 0 HA GLU A 16 2.995 4.898 10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.106 6.921 12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.423 5.249 13.047 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.581 6.348 11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.328 7.327 12.817 1.00 0.00 H new ATOM 209 N ASP A 17 -0.070 5.530 10.279 1.00 0.00 N ATOM 210 CA ASP A 17 -1.413 4.981 10.214 1.00 0.00 C ATOM 211 C ASP A 17 -1.552 4.130 8.950 1.00 0.00 C ATOM 212 O ASP A 17 -2.328 3.176 8.921 1.00 0.00 O ATOM 213 CB ASP A 17 -2.461 6.095 10.151 1.00 0.00 C ATOM 214 CG ASP A 17 -3.355 6.212 11.387 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.813 6.031 12.499 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.560 6.480 11.192 1.00 0.00 O ATOM 0 H ASP A 17 0.056 6.409 9.778 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.576 4.382 11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.950 7.046 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.093 5.930 9.278 1.00 0.00 H new ATOM 221 N VAL A 18 -0.787 4.506 7.935 1.00 0.00 N ATOM 222 CA VAL A 18 -0.814 3.790 6.672 1.00 0.00 C ATOM 223 C VAL A 18 0.290 2.731 6.667 1.00 0.00 C ATOM 224 O VAL A 18 0.233 1.774 5.896 1.00 0.00 O ATOM 225 CB VAL A 18 -0.701 4.777 5.508 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.821 4.056 4.164 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.744 5.889 5.629 1.00 0.00 C ATOM 0 H VAL A 18 -0.145 5.298 7.963 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.764 3.270 6.548 1.00 0.00 H new ATOM 0 HB VAL A 18 0.286 5.237 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.737 4.780 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.024 3.318 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.787 3.555 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.642 6.577 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.743 5.453 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.591 6.431 6.562 1.00 0.00 H new ATOM 237 N LEU A 19 1.268 2.938 7.536 1.00 0.00 N ATOM 238 CA LEU A 19 2.384 2.013 7.641 1.00 0.00 C ATOM 239 C LEU A 19 2.076 0.970 8.717 1.00 0.00 C ATOM 240 O LEU A 19 2.467 -0.190 8.593 1.00 0.00 O ATOM 241 CB LEU A 19 3.690 2.773 7.878 1.00 0.00 C ATOM 242 CG LEU A 19 4.354 3.369 6.635 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.334 2.376 6.008 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.305 3.852 5.632 1.00 0.00 C ATOM 0 H LEU A 19 1.311 3.733 8.174 1.00 0.00 H new ATOM 0 HA LEU A 19 2.522 1.474 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.494 3.580 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.399 2.097 8.356 1.00 0.00 H new ATOM 0 HG LEU A 19 4.932 4.241 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.792 2.824 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.109 2.124 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.800 1.471 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.803 4.271 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.681 3.013 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.683 4.617 6.096 1.00 0.00 H new ATOM 256 N ARG A 20 1.377 1.419 9.749 1.00 0.00 N ATOM 257 CA ARG A 20 1.011 0.539 10.846 1.00 0.00 C ATOM 258 C ARG A 20 0.493 -0.795 10.306 1.00 0.00 C ATOM 259 O ARG A 20 0.951 -1.858 10.723 1.00 0.00 O ATOM 260 CB ARG A 20 -0.064 1.177 11.729 1.00 0.00 C ATOM 261 CG ARG A 20 0.512 1.584 13.086 1.00 0.00 C ATOM 262 CD ARG A 20 0.860 0.354 13.926 1.00 0.00 C ATOM 263 NE ARG A 20 1.081 0.749 15.336 1.00 0.00 N ATOM 264 CZ ARG A 20 1.759 0.011 16.225 1.00 0.00 C ATOM 265 NH1 ARG A 20 2.287 -1.164 15.857 1.00 0.00 N ATOM 266 NH2 ARG A 20 1.910 0.449 17.483 1.00 0.00 N ATOM 0 H ARG A 20 1.054 2.381 9.849 1.00 0.00 H new ATOM 0 HA ARG A 20 1.904 0.369 11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.478 2.052 11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.885 0.474 11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.404 2.192 12.938 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.210 2.201 13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.054 -0.377 13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.755 -0.126 13.530 1.00 0.00 H new ATOM 0 HE ARG A 20 0.693 1.638 15.650 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.173 -1.497 14.900 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.803 -1.726 16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.509 1.344 17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.426 -0.113 18.160 1.00 0.00 H new ATOM 280 N PRO A 21 -0.481 -0.694 9.362 1.00 0.00 N ATOM 281 CA PRO A 21 -1.066 -1.880 8.761 1.00 0.00 C ATOM 282 C PRO A 21 -0.106 -2.514 7.752 1.00 0.00 C ATOM 283 O PRO A 21 0.180 -3.708 7.828 1.00 0.00 O ATOM 284 CB PRO A 21 -2.362 -1.401 8.127 1.00 0.00 C ATOM 285 CG PRO A 21 -2.228 0.107 7.993 1.00 0.00 C ATOM 286 CD PRO A 21 -1.048 0.548 8.844 1.00 0.00 C ATOM 0 HA PRO A 21 -1.261 -2.668 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.516 -1.867 7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.220 -1.663 8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.072 0.385 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.142 0.602 8.322 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.318 1.101 8.253 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.367 1.206 9.653 1.00 0.00 H new ATOM 294 N LEU A 22 0.365 -1.687 6.831 1.00 0.00 N ATOM 295 CA LEU A 22 1.287 -2.152 5.809 1.00 0.00 C ATOM 296 C LEU A 22 2.375 -3.008 6.461 1.00 0.00 C ATOM 297 O LEU A 22 2.802 -4.013 5.894 1.00 0.00 O ATOM 298 CB LEU A 22 1.834 -0.972 5.003 1.00 0.00 C ATOM 299 CG LEU A 22 1.020 -0.565 3.773 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.458 0.806 3.255 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.096 -1.639 2.686 1.00 0.00 C ATOM 0 H LEU A 22 0.125 -0.697 6.771 1.00 0.00 H new ATOM 0 HA LEU A 22 0.769 -2.787 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.910 -0.110 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.846 -1.216 4.680 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.026 -0.479 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.864 1.071 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.311 1.554 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.512 0.771 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.509 -1.325 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.134 -1.781 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.699 -2.577 3.073 1.00 0.00 H new ATOM 313 N GLU A 23 2.792 -2.579 7.643 1.00 0.00 N ATOM 314 CA GLU A 23 3.822 -3.294 8.377 1.00 0.00 C ATOM 315 C GLU A 23 3.271 -4.617 8.911 1.00 0.00 C ATOM 316 O GLU A 23 3.885 -5.668 8.730 1.00 0.00 O ATOM 317 CB GLU A 23 4.381 -2.435 9.513 1.00 0.00 C ATOM 318 CG GLU A 23 5.461 -1.481 8.999 1.00 0.00 C ATOM 319 CD GLU A 23 6.179 -0.787 10.159 1.00 0.00 C ATOM 320 OE1 GLU A 23 5.467 -0.155 10.969 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.422 -0.905 10.209 1.00 0.00 O ATOM 0 H GLU A 23 2.435 -1.746 8.111 1.00 0.00 H new ATOM 0 HA GLU A 23 4.642 -3.514 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.574 -1.863 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.798 -3.078 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.183 -2.034 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.010 -0.733 8.347 1.00 0.00 H new ATOM 328 N GLN A 24 2.119 -4.524 9.559 1.00 0.00 N ATOM 329 CA GLN A 24 1.479 -5.701 10.121 1.00 0.00 C ATOM 330 C GLN A 24 1.473 -6.840 9.099 1.00 0.00 C ATOM 331 O GLN A 24 1.767 -7.985 9.440 1.00 0.00 O ATOM 332 CB GLN A 24 0.059 -5.381 10.592 1.00 0.00 C ATOM 333 CG GLN A 24 0.081 -4.624 11.922 1.00 0.00 C ATOM 334 CD GLN A 24 -1.084 -5.054 12.816 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.961 -5.924 13.663 1.00 0.00 O ATOM 336 NE2 GLN A 24 -2.217 -4.399 12.582 1.00 0.00 N ATOM 0 H GLN A 24 1.612 -3.651 9.707 1.00 0.00 H new ATOM 0 HA GLN A 24 2.052 -6.021 10.991 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.452 -4.783 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.508 -6.305 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.025 -4.809 12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.024 -3.552 11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.251 -3.682 11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.052 -4.614 13.127 1.00 0.00 H new ATOM 345 N ALA A 25 1.136 -6.487 7.868 1.00 0.00 N ATOM 346 CA ALA A 25 1.089 -7.465 6.795 1.00 0.00 C ATOM 347 C ALA A 25 2.495 -8.015 6.549 1.00 0.00 C ATOM 348 O ALA A 25 2.684 -9.226 6.450 1.00 0.00 O ATOM 349 CB ALA A 25 0.487 -6.822 5.543 1.00 0.00 C ATOM 0 H ALA A 25 0.893 -5.536 7.589 1.00 0.00 H new ATOM 0 HA ALA A 25 0.450 -8.304 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.452 -7.556 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.523 -6.475 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.103 -5.976 5.236 1.00 0.00 H new ATOM 355 N LEU A 26 3.447 -7.097 6.457 1.00 0.00 N ATOM 356 CA LEU A 26 4.831 -7.475 6.225 1.00 0.00 C ATOM 357 C LEU A 26 5.232 -8.563 7.222 1.00 0.00 C ATOM 358 O LEU A 26 5.447 -9.713 6.839 1.00 0.00 O ATOM 359 CB LEU A 26 5.736 -6.242 6.262 1.00 0.00 C ATOM 360 CG LEU A 26 7.178 -6.455 5.797 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.225 -6.854 4.321 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.035 -5.220 6.085 1.00 0.00 C ATOM 0 H LEU A 26 3.287 -6.093 6.539 1.00 0.00 H new ATOM 0 HA LEU A 26 4.949 -7.898 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.286 -5.467 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.757 -5.861 7.283 1.00 0.00 H new ATOM 0 HG LEU A 26 7.602 -7.281 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.261 -6.999 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.671 -7.782 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.776 -6.066 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.055 -5.398 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.622 -4.360 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.039 -5.022 7.157 1.00 0.00 H new ATOM 374 N GLU A 27 5.321 -8.163 8.482 1.00 0.00 N ATOM 375 CA GLU A 27 5.693 -9.090 9.537 1.00 0.00 C ATOM 376 C GLU A 27 4.882 -10.382 9.420 1.00 0.00 C ATOM 377 O GLU A 27 5.441 -11.476 9.457 1.00 0.00 O ATOM 378 CB GLU A 27 5.512 -8.452 10.916 1.00 0.00 C ATOM 379 CG GLU A 27 4.101 -7.884 11.076 1.00 0.00 C ATOM 380 CD GLU A 27 4.058 -6.827 12.182 1.00 0.00 C ATOM 381 OE1 GLU A 27 4.824 -5.847 12.060 1.00 0.00 O ATOM 382 OE2 GLU A 27 3.260 -7.023 13.123 1.00 0.00 O ATOM 0 H GLU A 27 5.142 -7.209 8.796 1.00 0.00 H new ATOM 0 HA GLU A 27 6.749 -9.336 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.699 -9.195 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.245 -7.657 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.773 -7.444 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.405 -8.690 11.310 1.00 0.00 H new ATOM 389 N ASP A 28 3.575 -10.211 9.280 1.00 0.00 N ATOM 390 CA ASP A 28 2.681 -11.350 9.157 1.00 0.00 C ATOM 391 C ASP A 28 3.072 -12.169 7.926 1.00 0.00 C ATOM 392 O ASP A 28 2.832 -13.374 7.876 1.00 0.00 O ATOM 393 CB ASP A 28 1.231 -10.894 8.981 1.00 0.00 C ATOM 394 CG ASP A 28 0.411 -10.832 10.272 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.145 -11.888 10.643 1.00 0.00 O ATOM 396 OD2 ASP A 28 0.360 -9.730 10.858 1.00 0.00 O ATOM 0 H ASP A 28 3.114 -9.301 9.249 1.00 0.00 H new ATOM 0 HA ASP A 28 2.765 -11.945 10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.230 -9.906 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.735 -11.571 8.285 1.00 0.00 H new ATOM 401 N CYS A 29 3.667 -11.482 6.962 1.00 0.00 N ATOM 402 CA CYS A 29 4.094 -12.131 5.734 1.00 0.00 C ATOM 403 C CYS A 29 5.438 -12.815 5.994 1.00 0.00 C ATOM 404 O CYS A 29 5.656 -13.946 5.562 1.00 0.00 O ATOM 405 CB CYS A 29 4.173 -11.142 4.569 1.00 0.00 C ATOM 406 SG CYS A 29 2.604 -11.157 3.628 1.00 0.00 S ATOM 0 H CYS A 29 3.864 -10.482 7.006 1.00 0.00 H new ATOM 0 HA CYS A 29 3.358 -12.879 5.440 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.371 -10.139 4.946 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.003 -11.406 3.913 1.00 0.00 H new ATOM 0 HG CYS A 29 2.681 -10.313 2.643 1.00 0.00 H new ATOM 412 N HIS A 30 6.303 -12.101 6.699 1.00 0.00 N ATOM 413 CA HIS A 30 7.619 -12.625 7.021 1.00 0.00 C ATOM 414 C HIS A 30 7.492 -14.071 7.502 1.00 0.00 C ATOM 415 O HIS A 30 8.285 -14.929 7.118 1.00 0.00 O ATOM 416 CB HIS A 30 8.330 -11.724 8.033 1.00 0.00 C ATOM 417 CG HIS A 30 9.491 -10.949 7.457 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.567 -11.561 6.838 1.00 0.00 N ATOM 419 CD2 HIS A 30 9.733 -9.608 7.412 1.00 0.00 C ATOM 420 CE1 HIS A 30 11.412 -10.621 6.443 1.00 0.00 C ATOM 421 NE2 HIS A 30 10.894 -9.411 6.800 1.00 0.00 N ATOM 0 H HIS A 30 6.118 -11.164 7.056 1.00 0.00 H new ATOM 0 HA HIS A 30 8.241 -12.630 6.126 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.608 -11.021 8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 30 8.690 -12.337 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 30 9.089 -8.837 7.807 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.347 -10.784 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.327 -8.504 6.625 1.00 0.00 H new ATOM 429 N GLY A 31 6.487 -14.298 8.336 1.00 0.00 N ATOM 430 CA GLY A 31 6.245 -15.626 8.873 1.00 0.00 C ATOM 431 C GLY A 31 5.720 -16.569 7.789 1.00 0.00 C ATOM 432 O GLY A 31 6.172 -17.708 7.680 1.00 0.00 O ATOM 0 H GLY A 31 5.831 -13.584 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.168 -16.026 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.524 -15.567 9.688 1.00 0.00 H new ATOM 436 N HIS A 32 4.774 -16.060 7.014 1.00 0.00 N ATOM 437 CA HIS A 32 4.183 -16.843 5.942 1.00 0.00 C ATOM 438 C HIS A 32 5.017 -16.683 4.670 1.00 0.00 C ATOM 439 O HIS A 32 5.903 -17.492 4.398 1.00 0.00 O ATOM 440 CB HIS A 32 2.714 -16.464 5.739 1.00 0.00 C ATOM 441 CG HIS A 32 1.780 -17.058 6.766 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.130 -18.266 6.579 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.393 -16.599 7.991 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.388 -18.512 7.649 1.00 0.00 C ATOM 445 NE2 HIS A 32 0.553 -17.478 8.523 1.00 0.00 N ATOM 0 H HIS A 32 4.402 -15.115 7.107 1.00 0.00 H new ATOM 0 HA HIS A 32 4.192 -17.899 6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.623 -15.378 5.764 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.400 -16.787 4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.716 -15.676 8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.238 -19.379 7.802 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.105 -17.394 9.435 1.00 0.00 H new ATOM 453 N THR A 33 4.705 -15.634 3.923 1.00 0.00 N ATOM 454 CA THR A 33 5.414 -15.357 2.686 1.00 0.00 C ATOM 455 C THR A 33 6.909 -15.634 2.856 1.00 0.00 C ATOM 456 O THR A 33 7.484 -15.338 3.902 1.00 0.00 O ATOM 457 CB THR A 33 5.106 -13.916 2.276 1.00 0.00 C ATOM 458 OG1 THR A 33 3.771 -13.974 1.781 1.00 0.00 O ATOM 459 CG2 THR A 33 5.931 -13.461 1.070 1.00 0.00 C ATOM 0 H THR A 33 3.970 -14.965 4.151 1.00 0.00 H new ATOM 0 HA THR A 33 5.082 -16.016 1.884 1.00 0.00 H new ATOM 0 HB THR A 33 5.297 -13.251 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.142 -13.816 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.674 -12.432 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.992 -13.521 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.716 -14.105 0.218 1.00 0.00 H new ATOM 467 N LYS A 34 7.496 -16.199 1.811 1.00 0.00 N ATOM 468 CA LYS A 34 8.914 -16.519 1.831 1.00 0.00 C ATOM 469 C LYS A 34 9.698 -15.309 2.342 1.00 0.00 C ATOM 470 O LYS A 34 9.132 -14.234 2.534 1.00 0.00 O ATOM 471 CB LYS A 34 9.371 -17.013 0.457 1.00 0.00 C ATOM 472 CG LYS A 34 8.627 -18.289 0.057 1.00 0.00 C ATOM 473 CD LYS A 34 9.602 -19.452 -0.143 1.00 0.00 C ATOM 474 CE LYS A 34 10.433 -19.258 -1.413 1.00 0.00 C ATOM 475 NZ LYS A 34 9.959 -20.161 -2.485 1.00 0.00 N ATOM 0 H LYS A 34 7.016 -16.443 0.945 1.00 0.00 H new ATOM 0 HA LYS A 34 9.110 -17.340 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.197 -16.237 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.444 -17.204 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.900 -18.547 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.069 -18.116 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.263 -19.530 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.048 -20.389 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.364 -18.222 -1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.484 -19.456 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.534 -20.017 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.047 -21.149 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.963 -19.953 -2.698 1.00 0.00 H new ATOM 489 N LYS A 35 10.989 -15.525 2.547 1.00 0.00 N ATOM 490 CA LYS A 35 11.857 -14.465 3.032 1.00 0.00 C ATOM 491 C LYS A 35 12.260 -13.566 1.861 1.00 0.00 C ATOM 492 O LYS A 35 12.072 -12.352 1.913 1.00 0.00 O ATOM 493 CB LYS A 35 13.046 -15.053 3.794 1.00 0.00 C ATOM 494 CG LYS A 35 13.935 -13.945 4.363 1.00 0.00 C ATOM 495 CD LYS A 35 13.469 -13.532 5.761 1.00 0.00 C ATOM 496 CE LYS A 35 14.608 -12.882 6.549 1.00 0.00 C ATOM 497 NZ LYS A 35 15.108 -11.682 5.842 1.00 0.00 N ATOM 0 H LYS A 35 11.455 -16.418 2.386 1.00 0.00 H new ATOM 0 HA LYS A 35 11.328 -13.837 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.686 -15.687 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.631 -15.688 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.968 -14.289 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.915 -13.081 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.635 -12.835 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.102 -14.406 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.259 -12.606 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.420 -13.597 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.731 -11.141 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.640 -11.973 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.304 -11.087 5.556 1.00 0.00 H new ATOM 511 N GLN A 36 12.807 -14.198 0.833 1.00 0.00 N ATOM 512 CA GLN A 36 13.239 -13.470 -0.348 1.00 0.00 C ATOM 513 C GLN A 36 12.134 -12.523 -0.821 1.00 0.00 C ATOM 514 O GLN A 36 12.407 -11.383 -1.195 1.00 0.00 O ATOM 515 CB GLN A 36 13.651 -14.432 -1.465 1.00 0.00 C ATOM 516 CG GLN A 36 12.532 -15.432 -1.768 1.00 0.00 C ATOM 517 CD GLN A 36 13.093 -16.705 -2.404 1.00 0.00 C ATOM 518 OE1 GLN A 36 14.269 -17.014 -2.304 1.00 0.00 O ATOM 519 NE2 GLN A 36 12.188 -17.424 -3.063 1.00 0.00 N ATOM 0 H GLN A 36 12.961 -15.206 0.793 1.00 0.00 H new ATOM 0 HA GLN A 36 14.113 -12.875 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.893 -13.867 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.554 -14.968 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.004 -15.683 -0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.804 -14.976 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.219 -17.108 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.463 -18.292 -3.523 1.00 0.00 H new ATOM 528 N VAL A 37 10.910 -13.029 -0.789 1.00 0.00 N ATOM 529 CA VAL A 37 9.764 -12.242 -1.209 1.00 0.00 C ATOM 530 C VAL A 37 9.552 -11.091 -0.224 1.00 0.00 C ATOM 531 O VAL A 37 9.548 -9.925 -0.618 1.00 0.00 O ATOM 532 CB VAL A 37 8.534 -13.142 -1.350 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.281 -12.316 -1.648 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.756 -14.210 -2.423 1.00 0.00 C ATOM 0 H VAL A 37 10.687 -13.975 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 37 9.943 -11.802 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 37 8.380 -13.651 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.422 -12.980 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.107 -11.612 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.420 -11.767 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.867 -14.836 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.948 -13.728 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.611 -14.828 -2.150 1.00 0.00 H new ATOM 544 N CYS A 38 9.382 -11.457 1.037 1.00 0.00 N ATOM 545 CA CYS A 38 9.170 -10.469 2.082 1.00 0.00 C ATOM 546 C CYS A 38 10.278 -9.419 1.981 1.00 0.00 C ATOM 547 O CYS A 38 10.001 -8.223 1.915 1.00 0.00 O ATOM 548 CB CYS A 38 9.119 -11.114 3.468 1.00 0.00 C ATOM 549 SG CYS A 38 7.731 -10.413 4.433 1.00 0.00 S ATOM 0 H CYS A 38 9.387 -12.425 1.360 1.00 0.00 H new ATOM 0 HA CYS A 38 8.202 -9.989 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.998 -12.193 3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.060 -10.944 3.992 1.00 0.00 H new ATOM 0 HG CYS A 38 8.145 -9.375 5.097 1.00 0.00 H new ATOM 555 N ASP A 39 11.511 -9.905 1.972 1.00 0.00 N ATOM 556 CA ASP A 39 12.662 -9.023 1.881 1.00 0.00 C ATOM 557 C ASP A 39 12.442 -8.020 0.747 1.00 0.00 C ATOM 558 O ASP A 39 12.779 -6.844 0.880 1.00 0.00 O ATOM 559 CB ASP A 39 13.937 -9.811 1.573 1.00 0.00 C ATOM 560 CG ASP A 39 15.232 -9.000 1.643 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.176 -7.808 1.271 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.249 -9.590 2.067 1.00 0.00 O ATOM 0 H ASP A 39 11.738 -10.898 2.026 1.00 0.00 H new ATOM 0 HA ASP A 39 12.774 -8.515 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.009 -10.644 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.848 -10.240 0.575 1.00 0.00 H new ATOM 567 N ASP A 40 11.877 -8.520 -0.342 1.00 0.00 N ATOM 568 CA ASP A 40 11.608 -7.682 -1.498 1.00 0.00 C ATOM 569 C ASP A 40 10.516 -6.670 -1.145 1.00 0.00 C ATOM 570 O ASP A 40 10.691 -5.469 -1.342 1.00 0.00 O ATOM 571 CB ASP A 40 11.114 -8.518 -2.681 1.00 0.00 C ATOM 572 CG ASP A 40 11.278 -7.858 -4.051 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.439 -7.551 -4.398 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.238 -7.676 -4.721 1.00 0.00 O ATOM 0 H ASP A 40 11.598 -9.495 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 40 12.535 -7.179 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.650 -9.467 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.059 -8.748 -2.529 1.00 0.00 H new ATOM 579 N ILE A 41 9.413 -7.193 -0.631 1.00 0.00 N ATOM 580 CA ILE A 41 8.292 -6.350 -0.249 1.00 0.00 C ATOM 581 C ILE A 41 8.776 -5.280 0.732 1.00 0.00 C ATOM 582 O ILE A 41 8.646 -4.086 0.466 1.00 0.00 O ATOM 583 CB ILE A 41 7.140 -7.202 0.288 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.595 -8.133 -0.796 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.044 -6.322 0.892 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.524 -9.068 -0.229 1.00 0.00 C ATOM 0 H ILE A 41 9.271 -8.190 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 41 7.893 -5.828 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 41 7.525 -7.833 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.173 -7.542 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.410 -8.721 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.237 -6.952 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.458 -5.737 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.655 -5.650 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.153 -9.719 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.955 -9.674 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.700 -8.477 0.170 1.00 0.00 H new ATOM 598 N SER A 42 9.322 -5.747 1.845 1.00 0.00 N ATOM 599 CA SER A 42 9.826 -4.845 2.866 1.00 0.00 C ATOM 600 C SER A 42 10.719 -3.778 2.229 1.00 0.00 C ATOM 601 O SER A 42 10.656 -2.608 2.602 1.00 0.00 O ATOM 602 CB SER A 42 10.598 -5.609 3.944 1.00 0.00 C ATOM 603 OG SER A 42 11.212 -6.786 3.427 1.00 0.00 O ATOM 0 H SER A 42 9.426 -6.738 2.062 1.00 0.00 H new ATOM 0 HA SER A 42 8.975 -4.359 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.362 -4.960 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.919 -5.879 4.753 1.00 0.00 H new ATOM 0 HG SER A 42 10.533 -7.481 3.302 1.00 0.00 H new ATOM 609 N ARG A 43 11.529 -4.221 1.279 1.00 0.00 N ATOM 610 CA ARG A 43 12.434 -3.319 0.587 1.00 0.00 C ATOM 611 C ARG A 43 11.653 -2.159 -0.035 1.00 0.00 C ATOM 612 O ARG A 43 12.142 -1.031 -0.081 1.00 0.00 O ATOM 613 CB ARG A 43 13.207 -4.051 -0.512 1.00 0.00 C ATOM 614 CG ARG A 43 14.700 -4.114 -0.182 1.00 0.00 C ATOM 615 CD ARG A 43 15.547 -4.003 -1.451 1.00 0.00 C ATOM 616 NE ARG A 43 16.009 -2.609 -1.631 1.00 0.00 N ATOM 617 CZ ARG A 43 17.060 -2.077 -0.992 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.763 -2.820 -0.126 1.00 0.00 N ATOM 619 NH2 ARG A 43 17.406 -0.802 -1.217 1.00 0.00 N ATOM 0 H ARG A 43 11.578 -5.193 0.972 1.00 0.00 H new ATOM 0 HA ARG A 43 13.143 -2.934 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.813 -5.061 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.062 -3.541 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.959 -3.307 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.924 -5.051 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.404 -4.673 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.963 -4.316 -2.316 1.00 0.00 H new ATOM 0 HE ARG A 43 15.495 -2.016 -2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.498 -3.790 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.563 -2.416 0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.869 -0.236 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.206 -0.397 -0.731 1.00 0.00 H new ATOM 633 N ARG A 44 10.453 -2.476 -0.498 1.00 0.00 N ATOM 634 CA ARG A 44 9.601 -1.474 -1.115 1.00 0.00 C ATOM 635 C ARG A 44 9.030 -0.534 -0.051 1.00 0.00 C ATOM 636 O ARG A 44 9.067 0.685 -0.211 1.00 0.00 O ATOM 637 CB ARG A 44 8.447 -2.128 -1.880 1.00 0.00 C ATOM 638 CG ARG A 44 8.959 -3.239 -2.799 1.00 0.00 C ATOM 639 CD ARG A 44 9.301 -2.690 -4.185 1.00 0.00 C ATOM 640 NE ARG A 44 10.161 -3.651 -4.912 1.00 0.00 N ATOM 641 CZ ARG A 44 11.456 -3.859 -4.635 1.00 0.00 C ATOM 642 NH1 ARG A 44 12.048 -3.175 -3.647 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.158 -4.751 -5.347 1.00 0.00 N ATOM 0 H ARG A 44 10.051 -3.412 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 44 10.212 -0.906 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.725 -2.539 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.924 -1.375 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.843 -3.701 -2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.203 -4.019 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.386 -2.509 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.812 -1.732 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 44 9.742 -4.188 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.513 -2.496 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.033 -3.333 -3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.707 -5.271 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.143 -4.910 -5.137 1.00 0.00 H new ATOM 657 N LEU A 45 8.516 -1.137 1.011 1.00 0.00 N ATOM 658 CA LEU A 45 7.939 -0.369 2.101 1.00 0.00 C ATOM 659 C LEU A 45 8.886 0.774 2.471 1.00 0.00 C ATOM 660 O LEU A 45 8.474 1.931 2.531 1.00 0.00 O ATOM 661 CB LEU A 45 7.592 -1.285 3.276 1.00 0.00 C ATOM 662 CG LEU A 45 6.729 -2.504 2.944 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.161 -3.137 4.216 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.629 -2.142 1.944 1.00 0.00 C ATOM 0 H LEU A 45 8.487 -2.148 1.140 1.00 0.00 H new ATOM 0 HA LEU A 45 6.997 0.085 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.522 -1.634 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.075 -0.694 4.032 1.00 0.00 H new ATOM 0 HG LEU A 45 7.364 -3.251 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.552 -4.001 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.980 -3.454 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.546 -2.407 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.031 -3.026 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.991 -1.368 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.081 -1.773 1.023 1.00 0.00 H new ATOM 676 N ALA A 46 10.137 0.410 2.710 1.00 0.00 N ATOM 677 CA ALA A 46 11.146 1.390 3.072 1.00 0.00 C ATOM 678 C ALA A 46 11.003 2.620 2.173 1.00 0.00 C ATOM 679 O ALA A 46 11.040 3.752 2.652 1.00 0.00 O ATOM 680 CB ALA A 46 12.534 0.755 2.974 1.00 0.00 C ATOM 0 H ALA A 46 10.475 -0.551 2.660 1.00 0.00 H new ATOM 0 HA ALA A 46 11.009 1.717 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.291 1.491 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.594 -0.095 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.708 0.416 1.953 1.00 0.00 H new ATOM 686 N LEU A 47 10.841 2.355 0.885 1.00 0.00 N ATOM 687 CA LEU A 47 10.692 3.426 -0.086 1.00 0.00 C ATOM 688 C LEU A 47 9.343 4.117 0.126 1.00 0.00 C ATOM 689 O LEU A 47 9.277 5.341 0.220 1.00 0.00 O ATOM 690 CB LEU A 47 10.894 2.893 -1.506 1.00 0.00 C ATOM 691 CG LEU A 47 11.344 3.918 -2.549 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.598 3.249 -3.902 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.340 5.067 -2.658 1.00 0.00 C ATOM 0 H LEU A 47 10.810 1.415 0.491 1.00 0.00 H new ATOM 0 HA LEU A 47 11.464 4.182 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.632 2.092 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.957 2.449 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 47 12.290 4.347 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.917 4.000 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.378 2.495 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.681 2.775 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.684 5.781 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.367 4.673 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.252 5.566 -1.693 1.00 0.00 H new ATOM 705 N LEU A 48 8.301 3.301 0.195 1.00 0.00 N ATOM 706 CA LEU A 48 6.958 3.818 0.394 1.00 0.00 C ATOM 707 C LEU A 48 6.970 4.824 1.547 1.00 0.00 C ATOM 708 O LEU A 48 6.456 5.934 1.412 1.00 0.00 O ATOM 709 CB LEU A 48 5.966 2.671 0.589 1.00 0.00 C ATOM 710 CG LEU A 48 4.619 3.047 1.210 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.955 4.185 0.431 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.707 1.824 1.325 1.00 0.00 C ATOM 0 H LEU A 48 8.360 2.286 0.117 1.00 0.00 H new ATOM 0 HA LEU A 48 6.620 4.353 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.780 2.209 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.435 1.914 1.218 1.00 0.00 H new ATOM 0 HG LEU A 48 4.799 3.410 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.999 4.433 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.603 5.062 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.789 3.872 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.757 2.119 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.530 1.408 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.184 1.072 1.954 1.00 0.00 H new ATOM 724 N ARG A 49 7.561 4.401 2.654 1.00 0.00 N ATOM 725 CA ARG A 49 7.646 5.251 3.829 1.00 0.00 C ATOM 726 C ARG A 49 8.469 6.504 3.520 1.00 0.00 C ATOM 727 O ARG A 49 7.952 7.618 3.573 1.00 0.00 O ATOM 728 CB ARG A 49 8.286 4.506 5.003 1.00 0.00 C ATOM 729 CG ARG A 49 8.390 5.408 6.234 1.00 0.00 C ATOM 730 CD ARG A 49 9.187 4.726 7.348 1.00 0.00 C ATOM 731 NE ARG A 49 10.456 5.451 7.579 1.00 0.00 N ATOM 732 CZ ARG A 49 11.467 4.979 8.322 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.362 3.779 8.909 1.00 0.00 N ATOM 734 NH2 ARG A 49 12.581 5.706 8.477 1.00 0.00 N ATOM 0 H ARG A 49 7.986 3.480 2.762 1.00 0.00 H new ATOM 0 HA ARG A 49 6.631 5.537 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.694 3.623 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.279 4.157 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.870 6.348 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.391 5.654 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.599 4.704 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.394 3.691 7.077 1.00 0.00 H new ATOM 0 HE ARG A 49 10.569 6.367 7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.513 3.226 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.131 3.419 9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.660 6.619 8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.350 5.347 9.042 1.00 0.00 H new ATOM 748 N GLU A 50 9.735 6.278 3.204 1.00 0.00 N ATOM 749 CA GLU A 50 10.634 7.375 2.886 1.00 0.00 C ATOM 750 C GLU A 50 9.913 8.423 2.036 1.00 0.00 C ATOM 751 O GLU A 50 9.867 9.597 2.399 1.00 0.00 O ATOM 752 CB GLU A 50 11.891 6.866 2.178 1.00 0.00 C ATOM 753 CG GLU A 50 12.848 6.201 3.171 1.00 0.00 C ATOM 754 CD GLU A 50 14.305 6.478 2.796 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.704 7.658 2.900 1.00 0.00 O ATOM 756 OE2 GLU A 50 14.988 5.503 2.414 1.00 0.00 O ATOM 0 H GLU A 50 10.160 5.352 3.161 1.00 0.00 H new ATOM 0 HA GLU A 50 10.947 7.844 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.612 6.153 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.395 7.696 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.650 6.572 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.671 5.126 3.188 1.00 0.00 H new ATOM 763 N GLN A 51 9.367 7.960 0.921 1.00 0.00 N ATOM 764 CA GLN A 51 8.650 8.843 0.016 1.00 0.00 C ATOM 765 C GLN A 51 7.490 9.523 0.747 1.00 0.00 C ATOM 766 O GLN A 51 7.196 10.692 0.499 1.00 0.00 O ATOM 767 CB GLN A 51 8.152 8.081 -1.213 1.00 0.00 C ATOM 768 CG GLN A 51 8.959 8.459 -2.457 1.00 0.00 C ATOM 769 CD GLN A 51 8.072 8.470 -3.704 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.292 9.380 -3.934 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.234 7.412 -4.492 1.00 0.00 N ATOM 0 H GLN A 51 9.407 6.985 0.624 1.00 0.00 H new ATOM 0 HA GLN A 51 9.338 9.614 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.230 7.008 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.097 8.301 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.409 9.442 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.776 7.751 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.905 6.686 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.688 7.326 -5.349 1.00 0.00 H new ATOM 780 N TRP A 52 6.863 8.763 1.632 1.00 0.00 N ATOM 781 CA TRP A 52 5.742 9.278 2.400 1.00 0.00 C ATOM 782 C TRP A 52 6.263 10.396 3.305 1.00 0.00 C ATOM 783 O TRP A 52 5.879 11.554 3.151 1.00 0.00 O ATOM 784 CB TRP A 52 5.047 8.157 3.175 1.00 0.00 C ATOM 785 CG TRP A 52 3.698 8.558 3.774 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.436 9.571 4.611 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.429 7.909 3.547 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.096 9.623 4.939 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.464 8.580 4.272 1.00 0.00 C ATOM 790 CE3 TRP A 52 2.107 6.792 2.756 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.114 8.210 4.277 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.753 6.435 2.773 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.230 7.100 3.496 1.00 0.00 C ATOM 0 H TRP A 52 7.110 7.794 1.835 1.00 0.00 H new ATOM 0 HA TRP A 52 4.980 9.691 1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.899 7.307 2.509 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.704 7.823 3.978 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.180 10.260 4.982 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.652 10.302 5.557 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.845 6.252 2.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.622 8.751 4.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.451 5.583 2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.255 6.762 3.456 1.00 0.00 H new ATOM 804 N ALA A 53 7.130 10.010 4.230 1.00 0.00 N ATOM 805 CA ALA A 53 7.707 10.965 5.160 1.00 0.00 C ATOM 806 C ALA A 53 8.346 12.112 4.375 1.00 0.00 C ATOM 807 O ALA A 53 7.958 13.269 4.534 1.00 0.00 O ATOM 808 CB ALA A 53 8.711 10.251 6.068 1.00 0.00 C ATOM 0 H ALA A 53 7.447 9.048 4.355 1.00 0.00 H new ATOM 0 HA ALA A 53 6.935 11.392 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.144 10.968 6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.202 9.464 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.503 9.812 5.461 1.00 0.00 H new ATOM 814 N GLY A 54 9.313 11.753 3.545 1.00 0.00 N ATOM 815 CA GLY A 54 10.009 12.738 2.735 1.00 0.00 C ATOM 816 C GLY A 54 9.045 13.816 2.235 1.00 0.00 C ATOM 817 O GLY A 54 9.435 14.970 2.062 1.00 0.00 O ATOM 0 H GLY A 54 9.632 10.793 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.804 13.199 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.483 12.246 1.885 1.00 0.00 H new ATOM 821 N GLY A 55 7.806 13.402 2.017 1.00 0.00 N ATOM 822 CA GLY A 55 6.783 14.318 1.541 1.00 0.00 C ATOM 823 C GLY A 55 6.749 14.354 0.012 1.00 0.00 C ATOM 824 O GLY A 55 6.404 15.375 -0.581 1.00 0.00 O ATOM 0 H GLY A 55 7.487 12.444 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.809 14.012 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.977 15.318 1.928 1.00 0.00 H new ATOM 828 N LYS A 56 7.113 13.227 -0.583 1.00 0.00 N ATOM 829 CA LYS A 56 7.128 13.117 -2.032 1.00 0.00 C ATOM 830 C LYS A 56 5.767 12.614 -2.516 1.00 0.00 C ATOM 831 O LYS A 56 5.406 12.806 -3.676 1.00 0.00 O ATOM 832 CB LYS A 56 8.303 12.251 -2.491 1.00 0.00 C ATOM 833 CG LYS A 56 9.551 13.102 -2.729 1.00 0.00 C ATOM 834 CD LYS A 56 9.856 13.223 -4.224 1.00 0.00 C ATOM 835 CE LYS A 56 10.389 14.616 -4.564 1.00 0.00 C ATOM 836 NZ LYS A 56 10.788 14.686 -5.987 1.00 0.00 N ATOM 0 H LYS A 56 7.400 12.382 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 56 7.286 14.095 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.515 11.491 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.036 11.726 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.405 14.094 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.403 12.656 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.589 12.469 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.952 13.025 -4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.624 15.365 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.243 14.850 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.147 15.638 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.533 13.985 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.964 14.484 -6.589 1.00 0.00 H new ATOM 850 N LEU A 57 5.048 11.978 -1.602 1.00 0.00 N ATOM 851 CA LEU A 57 3.734 11.446 -1.920 1.00 0.00 C ATOM 852 C LEU A 57 2.714 12.586 -1.928 1.00 0.00 C ATOM 853 O LEU A 57 2.835 13.537 -1.158 1.00 0.00 O ATOM 854 CB LEU A 57 3.373 10.305 -0.967 1.00 0.00 C ATOM 855 CG LEU A 57 4.355 9.133 -0.922 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.948 8.117 0.148 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.502 8.486 -2.300 1.00 0.00 C ATOM 0 H LEU A 57 5.351 11.819 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 57 3.732 11.010 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.280 10.714 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.392 9.921 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 57 5.335 9.520 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.663 7.294 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.937 8.601 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.954 7.731 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.206 7.656 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.532 8.116 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.873 9.224 -3.011 1.00 0.00 H new ATOM 869 N SER A 58 1.732 12.453 -2.808 1.00 0.00 N ATOM 870 CA SER A 58 0.692 13.461 -2.927 1.00 0.00 C ATOM 871 C SER A 58 -0.342 13.279 -1.814 1.00 0.00 C ATOM 872 O SER A 58 -0.510 12.178 -1.292 1.00 0.00 O ATOM 873 CB SER A 58 0.015 13.395 -4.297 1.00 0.00 C ATOM 874 OG SER A 58 0.917 12.979 -5.319 1.00 0.00 O ATOM 0 H SER A 58 1.635 11.663 -3.445 1.00 0.00 H new ATOM 0 HA SER A 58 1.154 14.443 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.826 12.703 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.391 14.375 -4.548 1.00 0.00 H new ATOM 0 HG SER A 58 0.446 12.948 -6.178 1.00 0.00 H new ATOM 880 N ILE A 59 -1.007 14.376 -1.483 1.00 0.00 N ATOM 881 CA ILE A 59 -2.020 14.351 -0.442 1.00 0.00 C ATOM 882 C ILE A 59 -3.113 13.350 -0.822 1.00 0.00 C ATOM 883 O ILE A 59 -3.548 12.555 0.009 1.00 0.00 O ATOM 884 CB ILE A 59 -2.547 15.762 -0.173 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.529 16.585 0.620 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.910 15.716 0.519 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.338 17.969 -0.003 1.00 0.00 C ATOM 0 H ILE A 59 -0.864 15.288 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.589 14.011 0.499 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.690 16.262 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.865 16.690 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.574 16.060 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.261 16.732 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.624 15.192 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.818 15.191 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.610 18.533 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.978 17.861 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.290 18.501 -0.007 1.00 0.00 H new ATOM 899 N PRO A 60 -3.535 13.423 -2.113 1.00 0.00 N ATOM 900 CA PRO A 60 -4.568 12.533 -2.614 1.00 0.00 C ATOM 901 C PRO A 60 -4.016 11.124 -2.839 1.00 0.00 C ATOM 902 O PRO A 60 -4.761 10.209 -3.186 1.00 0.00 O ATOM 903 CB PRO A 60 -5.065 13.187 -3.893 1.00 0.00 C ATOM 904 CG PRO A 60 -3.981 14.169 -4.307 1.00 0.00 C ATOM 905 CD PRO A 60 -3.042 14.352 -3.126 1.00 0.00 C ATOM 0 HA PRO A 60 -5.387 12.399 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.236 12.443 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.013 13.699 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.436 13.793 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.421 15.123 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.011 14.128 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.058 15.379 -2.763 1.00 0.00 H new ATOM 913 N VAL A 61 -2.714 10.993 -2.631 1.00 0.00 N ATOM 914 CA VAL A 61 -2.053 9.710 -2.806 1.00 0.00 C ATOM 915 C VAL A 61 -2.056 8.954 -1.476 1.00 0.00 C ATOM 916 O VAL A 61 -2.042 7.724 -1.457 1.00 0.00 O ATOM 917 CB VAL A 61 -0.647 9.919 -3.372 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.302 8.815 -2.903 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.678 10.004 -4.899 1.00 0.00 C ATOM 0 H VAL A 61 -2.099 11.754 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.592 9.098 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.270 10.868 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.294 8.987 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.359 8.822 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.070 7.848 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.334 10.153 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.085 9.079 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.305 10.841 -5.204 1.00 0.00 H new ATOM 929 N LYS A 62 -2.074 9.721 -0.396 1.00 0.00 N ATOM 930 CA LYS A 62 -2.079 9.139 0.936 1.00 0.00 C ATOM 931 C LYS A 62 -3.516 8.794 1.332 1.00 0.00 C ATOM 932 O LYS A 62 -3.764 7.752 1.935 1.00 0.00 O ATOM 933 CB LYS A 62 -1.373 10.065 1.928 1.00 0.00 C ATOM 934 CG LYS A 62 -0.061 10.595 1.346 1.00 0.00 C ATOM 935 CD LYS A 62 0.351 11.903 2.023 1.00 0.00 C ATOM 936 CE LYS A 62 1.508 12.568 1.274 1.00 0.00 C ATOM 937 NZ LYS A 62 1.189 13.982 0.977 1.00 0.00 N ATOM 0 H LYS A 62 -2.085 10.741 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.513 8.208 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.027 10.900 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.173 9.526 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.725 9.851 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.174 10.756 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.501 12.582 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.646 11.706 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.417 12.512 1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.705 12.031 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.401 14.183 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.180 14.156 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.762 14.602 1.584 1.00 0.00 H new ATOM 951 N LYS A 63 -4.425 9.690 0.976 1.00 0.00 N ATOM 952 CA LYS A 63 -5.831 9.494 1.287 1.00 0.00 C ATOM 953 C LYS A 63 -6.358 8.288 0.506 1.00 0.00 C ATOM 954 O LYS A 63 -7.162 7.513 1.021 1.00 0.00 O ATOM 955 CB LYS A 63 -6.619 10.781 1.037 1.00 0.00 C ATOM 956 CG LYS A 63 -6.846 11.547 2.342 1.00 0.00 C ATOM 957 CD LYS A 63 -5.916 12.758 2.435 1.00 0.00 C ATOM 958 CE LYS A 63 -4.495 12.332 2.808 1.00 0.00 C ATOM 959 NZ LYS A 63 -3.659 13.518 3.103 1.00 0.00 N ATOM 0 H LYS A 63 -4.215 10.553 0.475 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.960 9.270 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.079 11.411 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.579 10.541 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.884 11.876 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.674 10.885 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.903 13.285 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.297 13.457 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.522 11.674 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.053 11.763 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.955 13.643 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.262 14.363 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.172 13.382 4.012 1.00 0.00 H new ATOM 973 N ARG A 64 -5.883 8.168 -0.725 1.00 0.00 N ATOM 974 CA ARG A 64 -6.296 7.069 -1.583 1.00 0.00 C ATOM 975 C ARG A 64 -5.711 5.750 -1.075 1.00 0.00 C ATOM 976 O ARG A 64 -6.363 4.710 -1.145 1.00 0.00 O ATOM 977 CB ARG A 64 -5.844 7.298 -3.026 1.00 0.00 C ATOM 978 CG ARG A 64 -7.010 7.768 -3.898 1.00 0.00 C ATOM 979 CD ARG A 64 -6.763 7.435 -5.371 1.00 0.00 C ATOM 980 NE ARG A 64 -7.986 7.698 -6.162 1.00 0.00 N ATOM 981 CZ ARG A 64 -9.078 6.923 -6.135 1.00 0.00 C ATOM 982 NH1 ARG A 64 -9.107 5.832 -5.357 1.00 0.00 N ATOM 983 NH2 ARG A 64 -10.142 7.238 -6.886 1.00 0.00 N ATOM 0 H ARG A 64 -5.216 8.813 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.385 7.020 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.047 8.041 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.431 6.375 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.933 7.293 -3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.145 8.843 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.937 8.034 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.473 6.389 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.998 8.521 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.297 5.592 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.939 5.242 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.120 8.068 -7.478 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.974 6.648 -6.865 1.00 0.00 H new ATOM 997 N MET A 65 -4.487 5.836 -0.575 1.00 0.00 N ATOM 998 CA MET A 65 -3.806 4.662 -0.056 1.00 0.00 C ATOM 999 C MET A 65 -4.545 4.091 1.156 1.00 0.00 C ATOM 1000 O MET A 65 -4.943 2.928 1.153 1.00 0.00 O ATOM 1001 CB MET A 65 -2.378 5.036 0.346 1.00 0.00 C ATOM 1002 CG MET A 65 -1.356 4.374 -0.580 1.00 0.00 C ATOM 1003 SD MET A 65 0.021 3.755 0.373 1.00 0.00 S ATOM 1004 CE MET A 65 -0.673 2.218 0.958 1.00 0.00 C ATOM 0 H MET A 65 -3.949 6.701 -0.518 1.00 0.00 H new ATOM 0 HA MET A 65 -3.786 3.902 -0.837 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.258 6.119 0.310 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.194 4.729 1.375 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.825 3.557 -1.129 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.003 5.093 -1.319 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.624 2.188 2.047 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.713 2.143 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.106 1.383 0.546 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.706 4.937 2.164 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.390 4.531 3.380 1.00 0.00 C ATOM 1016 C ALA A 66 -6.589 3.653 3.016 1.00 0.00 C ATOM 1017 O ALA A 66 -6.862 2.661 3.689 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.797 5.773 4.175 1.00 0.00 C ATOM 0 H ALA A 66 -4.374 5.902 2.163 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.729 3.940 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.310 5.469 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.907 6.347 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.464 6.389 3.572 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.272 4.050 1.953 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.435 3.311 1.492 1.00 0.00 C ATOM 1026 C LEU A 67 -8.056 1.842 1.295 1.00 0.00 C ATOM 1027 O LEU A 67 -8.568 0.966 1.990 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.025 3.967 0.242 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.406 5.442 0.375 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.507 5.816 -0.620 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.796 5.781 1.815 1.00 0.00 C ATOM 0 H LEU A 67 -7.042 4.874 1.397 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.226 3.338 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.304 3.870 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.913 3.408 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.531 6.044 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.759 6.870 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.156 5.636 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.392 5.208 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.062 6.836 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.649 5.172 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.955 5.577 2.477 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.160 1.617 0.344 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.706 0.269 0.047 1.00 0.00 C ATOM 1045 C LEU A 68 -6.324 -0.434 1.351 1.00 0.00 C ATOM 1046 O LEU A 68 -6.665 -1.598 1.556 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.581 0.299 -0.989 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.521 -0.797 -0.859 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.887 -1.109 -2.216 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.473 -0.425 0.191 1.00 0.00 C ATOM 0 H LEU A 68 -6.737 2.346 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.509 -0.313 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.026 0.231 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.084 1.267 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.011 -1.708 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.137 -1.891 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.658 -1.448 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.414 -0.210 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.732 -1.221 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.981 0.504 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.958 -0.292 1.158 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.620 0.302 2.199 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.188 -0.237 3.477 1.00 0.00 C ATOM 1064 C VAL A 69 -6.413 -0.674 4.283 1.00 0.00 C ATOM 1065 O VAL A 69 -6.554 -1.849 4.616 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.324 0.790 4.212 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.109 0.382 5.671 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.987 0.993 3.497 1.00 0.00 C ATOM 0 H VAL A 69 -5.338 1.267 2.026 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.566 -1.120 3.328 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.856 1.741 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.492 1.129 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.073 0.312 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.609 -0.586 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.392 1.728 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.448 0.047 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.167 1.350 2.483 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.268 0.297 4.572 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.476 0.027 5.332 1.00 0.00 C ATOM 1080 C GLN A 70 -9.120 -1.279 4.861 1.00 0.00 C ATOM 1081 O GLN A 70 -9.604 -2.065 5.673 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.462 1.193 5.227 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.967 2.402 6.024 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.316 2.261 7.507 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.471 2.242 7.901 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.257 2.162 8.305 1.00 0.00 N ATOM 0 H GLN A 70 -7.148 1.271 4.293 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.204 -0.083 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.592 1.471 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.439 0.883 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.888 2.501 5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.415 3.313 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.317 2.185 7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.385 2.063 9.312 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.104 -1.469 3.550 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.679 -2.666 2.961 1.00 0.00 C ATOM 1097 C GLU A 71 -8.861 -3.898 3.353 1.00 0.00 C ATOM 1098 O GLU A 71 -9.408 -4.874 3.865 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.778 -2.536 1.439 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.492 -1.241 1.045 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.009 -1.435 1.031 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.488 -2.231 1.867 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.657 -0.782 0.184 1.00 0.00 O ATOM 0 H GLU A 71 -8.702 -0.814 2.879 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.690 -2.787 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.779 -2.552 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.317 -3.391 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.229 -0.449 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.154 -0.920 0.060 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.564 -3.812 3.099 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.664 -4.908 3.420 1.00 0.00 C ATOM 1112 C LEU A 72 -6.848 -5.300 4.888 1.00 0.00 C ATOM 1113 O LEU A 72 -6.586 -6.440 5.267 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.224 -4.542 3.057 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.272 -5.718 2.823 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.313 -5.425 1.668 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.527 -6.083 4.109 1.00 0.00 C ATOM 0 H LEU A 72 -7.114 -3.001 2.675 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.905 -5.787 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.242 -3.930 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.815 -3.922 3.855 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.865 -6.587 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.648 -6.276 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.884 -5.251 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.723 -4.539 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.857 -6.921 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.947 -5.225 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.246 -6.363 4.879 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.297 -4.332 5.673 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.519 -4.561 7.091 1.00 0.00 C ATOM 1131 C LEU A 73 -8.753 -5.447 7.273 1.00 0.00 C ATOM 1132 O LEU A 73 -8.758 -6.346 8.112 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.600 -3.231 7.843 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.331 -2.377 7.833 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.607 -0.979 8.390 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.193 -3.076 8.579 1.00 0.00 C ATOM 0 H LEU A 73 -7.513 -3.387 5.354 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.675 -5.096 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.413 -2.644 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.867 -3.438 8.879 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.010 -2.255 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.689 -0.392 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.364 -0.487 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.965 -1.060 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.303 -2.447 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.489 -3.250 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.975 -4.030 8.099 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.770 -5.162 6.473 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.007 -5.922 6.535 1.00 0.00 C ATOM 1150 C HIS A 74 -10.886 -7.172 5.661 1.00 0.00 C ATOM 1151 O HIS A 74 -11.810 -7.981 5.598 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.202 -5.046 6.155 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.971 -4.509 7.338 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.295 -4.114 7.256 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.589 -4.307 8.632 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.682 -3.695 8.451 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.623 -3.815 9.303 1.00 0.00 N ATOM 0 H HIS A 74 -9.763 -4.415 5.778 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.184 -6.253 7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.849 -4.208 5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.879 -5.625 5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.611 -4.513 9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.663 -3.324 8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.626 -3.567 10.292 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.739 -7.290 5.008 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.485 -8.427 4.140 1.00 0.00 C ATOM 1167 C HIS A 75 -10.023 -8.133 2.738 1.00 0.00 C ATOM 1168 O HIS A 75 -9.891 -8.956 1.834 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.066 -9.709 4.741 1.00 0.00 C ATOM 1170 CG HIS A 75 -9.928 -9.802 6.242 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -10.932 -10.291 7.059 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -8.892 -9.464 7.063 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.510 -10.244 8.314 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.246 -9.731 8.315 1.00 0.00 N ATOM 0 H HIS A 75 -8.975 -6.616 5.063 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.411 -8.590 4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.122 -9.775 4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.571 -10.568 4.287 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.945 -9.050 6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.069 -10.557 9.184 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.668 -9.578 9.141 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.616 -6.956 2.602 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.174 -6.543 1.325 1.00 0.00 C ATOM 1184 C GLN A 76 -10.056 -6.330 0.302 1.00 0.00 C ATOM 1185 O GLN A 76 -9.773 -5.198 -0.087 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.023 -5.280 1.481 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.372 -5.602 2.126 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.417 -5.952 1.065 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.203 -6.781 0.195 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.557 -5.277 1.185 1.00 0.00 N ATOM 0 H GLN A 76 -10.722 -6.276 3.354 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.826 -7.337 0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.489 -4.552 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.183 -4.822 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.258 -6.436 2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.713 -4.747 2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.670 -4.597 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.318 -5.440 0.525 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.451 -7.436 -0.105 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.371 -7.384 -1.075 1.00 0.00 C ATOM 1201 C TRP A 77 -8.941 -6.848 -2.390 1.00 0.00 C ATOM 1202 O TRP A 77 -8.325 -6.004 -3.039 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.705 -8.753 -1.228 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.883 -9.671 -0.016 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.772 -10.661 0.145 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.114 -9.642 1.205 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.632 -11.270 1.375 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.592 -10.631 2.040 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.050 -8.808 1.590 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.066 -10.879 3.314 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.536 -9.068 2.866 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.006 -10.060 3.719 1.00 0.00 C ATOM 0 H TRP A 77 -9.688 -8.373 0.219 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.582 -6.712 -0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.114 -9.248 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.640 -8.609 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.505 -10.946 -0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.189 -12.047 1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.660 -8.029 0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.457 -11.660 3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.717 -8.455 3.212 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.555 -10.198 4.690 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.112 -7.359 -2.742 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.772 -6.941 -3.967 1.00 0.00 C ATOM 1225 C ASP A 78 -10.810 -5.413 -4.026 1.00 0.00 C ATOM 1226 O ASP A 78 -10.647 -4.825 -5.094 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.214 -7.452 -4.018 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.432 -8.687 -4.894 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.813 -9.725 -4.575 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.213 -8.565 -5.862 1.00 0.00 O ATOM 0 H ASP A 78 -10.620 -8.058 -2.201 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.213 -7.352 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.538 -7.683 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.855 -6.649 -4.382 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.026 -4.813 -2.864 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.087 -3.364 -2.770 1.00 0.00 C ATOM 1237 C ALA A 79 -9.670 -2.792 -2.852 1.00 0.00 C ATOM 1238 O ALA A 79 -9.410 -1.881 -3.636 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.802 -2.966 -1.478 1.00 0.00 C ATOM 0 H ALA A 79 -11.161 -5.304 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.659 -2.949 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.848 -1.879 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.813 -3.372 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.255 -3.362 -0.623 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.792 -3.350 -2.032 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.409 -2.907 -2.003 1.00 0.00 C ATOM 1247 C ALA A 80 -6.916 -2.690 -3.435 1.00 0.00 C ATOM 1248 O ALA A 80 -6.422 -1.614 -3.769 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.561 -3.930 -1.244 1.00 0.00 C ATOM 0 H ALA A 80 -9.012 -4.105 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.322 -1.956 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.523 -3.598 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.933 -4.026 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.622 -4.896 -1.745 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.068 -3.729 -4.243 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.645 -3.665 -5.632 1.00 0.00 C ATOM 1257 C ASP A 81 -7.366 -2.508 -6.327 1.00 0.00 C ATOM 1258 O ASP A 81 -6.727 -1.646 -6.927 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.997 -4.956 -6.374 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.345 -5.108 -7.750 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.099 -5.024 -7.800 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -7.107 -5.305 -8.721 1.00 0.00 O ATOM 0 H ASP A 81 -7.478 -4.620 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.565 -3.522 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.706 -5.804 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.079 -5.005 -6.494 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.686 -2.527 -6.223 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.500 -1.491 -6.834 1.00 0.00 C ATOM 1269 C ASP A 82 -8.820 -0.134 -6.642 1.00 0.00 C ATOM 1270 O ASP A 82 -8.506 0.551 -7.614 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.884 -1.422 -6.185 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.039 -1.151 -7.151 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.023 -0.062 -7.762 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.912 -2.040 -7.255 1.00 0.00 O ATOM 0 H ASP A 82 -9.213 -3.244 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.610 -1.729 -7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.074 -2.364 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.874 -0.640 -5.426 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.612 0.214 -5.380 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.974 1.477 -5.048 1.00 0.00 C ATOM 1281 C ILE A 83 -6.547 1.483 -5.600 1.00 0.00 C ATOM 1282 O ILE A 83 -6.154 2.412 -6.304 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.052 1.736 -3.542 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.507 1.808 -3.073 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.265 2.991 -3.160 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.697 1.049 -1.758 1.00 0.00 C ATOM 0 H ILE A 83 -8.874 -0.356 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.502 2.306 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.588 0.895 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.799 2.850 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.161 1.388 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.337 3.152 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.219 2.863 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.678 3.853 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.739 1.116 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.427 0.003 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.060 1.487 -0.990 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.810 0.436 -5.259 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.435 0.310 -5.711 1.00 0.00 C ATOM 1300 C HIS A 84 -4.343 0.700 -7.188 1.00 0.00 C ATOM 1301 O HIS A 84 -3.496 1.507 -7.569 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.899 -1.096 -5.435 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.135 -1.700 -6.588 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.238 -3.034 -6.940 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.255 -1.137 -7.467 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.451 -3.254 -7.983 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.843 -2.078 -8.308 1.00 0.00 N ATOM 0 H HIS A 84 -6.139 -0.333 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.800 0.995 -5.149 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.249 -1.061 -4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.735 -1.749 -5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.946 -0.102 -7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.315 -4.199 -8.487 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.180 -1.943 -9.072 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.226 0.109 -7.979 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.255 0.384 -9.405 1.00 0.00 C ATOM 1317 C ARG A 85 -5.459 1.880 -9.653 1.00 0.00 C ATOM 1318 O ARG A 85 -4.671 2.510 -10.358 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.375 -0.397 -10.095 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.113 -1.903 -10.032 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.183 -2.345 -11.164 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.851 -3.780 -11.015 1.00 0.00 N ATOM 1323 CZ ARG A 85 -4.304 -4.528 -11.982 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -4.024 -3.983 -13.174 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -4.037 -5.822 -11.758 1.00 0.00 N ATOM 0 H ARG A 85 -5.927 -0.559 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.298 0.070 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.329 -0.170 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.456 -0.082 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.668 -2.159 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.057 -2.443 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.662 -2.172 -12.128 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.271 -1.749 -11.150 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.051 -4.227 -10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.227 -2.998 -13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.607 -4.553 -13.910 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.250 -6.237 -10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.620 -6.392 -12.494 1.00 0.00 H new ATOM 1339 N SER A 86 -6.520 2.407 -9.060 1.00 0.00 N ATOM 1340 CA SER A 86 -6.837 3.817 -9.207 1.00 0.00 C ATOM 1341 C SER A 86 -5.623 4.669 -8.830 1.00 0.00 C ATOM 1342 O SER A 86 -5.475 5.791 -9.311 1.00 0.00 O ATOM 1343 CB SER A 86 -8.043 4.203 -8.349 1.00 0.00 C ATOM 1344 OG SER A 86 -9.197 3.432 -8.672 1.00 0.00 O ATOM 0 H SER A 86 -7.171 1.882 -8.476 1.00 0.00 H new ATOM 0 HA SER A 86 -7.093 4.002 -10.250 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.798 4.065 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.263 5.261 -8.489 1.00 0.00 H new ATOM 0 HG SER A 86 -9.073 2.511 -8.361 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.786 4.102 -7.974 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.590 4.796 -7.527 1.00 0.00 C ATOM 1352 C LEU A 87 -2.487 4.626 -8.573 1.00 0.00 C ATOM 1353 O LEU A 87 -1.702 5.544 -8.808 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.189 4.324 -6.128 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.494 5.290 -4.981 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.234 4.631 -3.625 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.716 6.597 -5.143 1.00 0.00 C ATOM 0 H LEU A 87 -4.912 3.170 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.781 5.865 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.695 3.380 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.119 4.118 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.554 5.541 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.459 5.339 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.870 3.752 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.188 4.332 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.951 7.265 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.647 6.386 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.995 7.072 -6.083 1.00 0.00 H new ATOM 1369 N MET A 88 -2.461 3.445 -9.173 1.00 0.00 N ATOM 1370 CA MET A 88 -1.466 3.143 -10.189 1.00 0.00 C ATOM 1371 C MET A 88 -1.880 3.713 -11.547 1.00 0.00 C ATOM 1372 O MET A 88 -1.088 3.719 -12.489 1.00 0.00 O ATOM 1373 CB MET A 88 -1.295 1.627 -10.301 1.00 0.00 C ATOM 1374 CG MET A 88 -0.729 1.239 -11.668 1.00 0.00 C ATOM 1375 SD MET A 88 -0.034 -0.403 -11.598 1.00 0.00 S ATOM 1376 CE MET A 88 1.579 -0.029 -10.932 1.00 0.00 C ATOM 0 H MET A 88 -3.113 2.686 -8.975 1.00 0.00 H new ATOM 0 HA MET A 88 -0.522 3.603 -9.896 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.629 1.273 -9.514 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.257 1.137 -10.149 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.516 1.278 -12.421 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.036 1.954 -11.970 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.927 -0.867 -10.328 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.279 0.145 -11.749 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.518 0.865 -10.311 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.119 4.177 -11.606 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.648 4.747 -12.833 1.00 0.00 C ATOM 1388 C VAL A 89 -3.098 6.164 -13.011 1.00 0.00 C ATOM 1389 O VAL A 89 -2.537 6.490 -14.056 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.177 4.697 -12.818 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.762 5.456 -14.011 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.677 3.251 -12.789 1.00 0.00 C ATOM 0 H VAL A 89 -3.773 4.170 -10.823 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.326 4.162 -13.695 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.520 5.189 -11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.850 5.405 -13.977 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.446 6.498 -13.969 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.407 5.006 -14.938 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.767 3.243 -12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.319 2.724 -13.673 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.302 2.754 -11.894 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.279 6.968 -11.973 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.808 8.343 -12.001 1.00 0.00 C ATOM 1404 C ASP A 90 -1.432 8.420 -11.336 1.00 0.00 C ATOM 1405 O ASP A 90 -0.429 8.670 -12.003 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.756 9.266 -11.234 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.085 9.555 -11.935 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.287 8.982 -13.028 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.869 10.342 -11.363 1.00 0.00 O ATOM 0 H ASP A 90 -3.745 6.694 -11.108 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.759 8.661 -13.042 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.965 8.820 -10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.247 10.212 -11.049 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.429 8.200 -10.029 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.193 8.242 -9.266 1.00 0.00 C ATOM 1416 C HIS A 91 0.600 6.955 -9.504 1.00 0.00 C ATOM 1417 O HIS A 91 0.878 6.210 -8.565 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.478 8.498 -7.785 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.507 9.574 -7.534 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.186 10.919 -7.475 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.853 9.490 -7.329 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.296 11.604 -7.244 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.328 10.716 -7.153 1.00 0.00 N ATOM 0 H HIS A 91 -2.263 7.992 -9.479 1.00 0.00 H new ATOM 0 HA HIS A 91 0.422 9.075 -9.607 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.818 7.570 -7.326 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.452 8.777 -7.290 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.434 8.580 -7.313 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.371 12.677 -7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.304 10.955 -6.978 1.00 0.00 H new ATOM 1431 N VAL A 92 0.941 6.733 -10.765 1.00 0.00 N ATOM 1432 CA VAL A 92 1.697 5.549 -11.137 1.00 0.00 C ATOM 1433 C VAL A 92 3.185 5.797 -10.880 1.00 0.00 C ATOM 1434 O VAL A 92 3.864 4.959 -10.288 1.00 0.00 O ATOM 1435 CB VAL A 92 1.396 5.172 -12.590 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.199 6.042 -13.559 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.663 3.686 -12.837 1.00 0.00 C ATOM 0 H VAL A 92 0.708 7.352 -11.541 1.00 0.00 H new ATOM 0 HA VAL A 92 1.399 4.698 -10.525 1.00 0.00 H new ATOM 0 HB VAL A 92 0.337 5.357 -12.772 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.967 5.754 -14.584 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.939 7.090 -13.409 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.264 5.903 -13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.441 3.444 -13.877 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.710 3.465 -12.628 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.028 3.089 -12.182 1.00 0.00 H new ATOM 1447 N THR A 93 3.648 6.951 -11.338 1.00 0.00 N ATOM 1448 CA THR A 93 5.043 7.319 -11.164 1.00 0.00 C ATOM 1449 C THR A 93 5.357 7.535 -9.682 1.00 0.00 C ATOM 1450 O THR A 93 6.522 7.561 -9.288 1.00 0.00 O ATOM 1451 CB THR A 93 5.317 8.550 -12.029 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.929 8.021 -13.202 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.390 9.461 -11.428 1.00 0.00 C ATOM 0 H THR A 93 3.082 7.643 -11.829 1.00 0.00 H new ATOM 0 HA THR A 93 5.707 6.519 -11.491 1.00 0.00 H new ATOM 0 HB THR A 93 4.393 9.114 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.139 8.752 -13.820 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.546 10.319 -12.081 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.066 9.806 -10.446 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.323 8.907 -11.328 1.00 0.00 H new ATOM 1461 N GLU A 94 4.297 7.684 -8.901 1.00 0.00 N ATOM 1462 CA GLU A 94 4.445 7.897 -7.472 1.00 0.00 C ATOM 1463 C GLU A 94 4.451 6.557 -6.733 1.00 0.00 C ATOM 1464 O GLU A 94 5.434 6.207 -6.083 1.00 0.00 O ATOM 1465 CB GLU A 94 3.343 8.813 -6.936 1.00 0.00 C ATOM 1466 CG GLU A 94 3.773 10.280 -6.995 1.00 0.00 C ATOM 1467 CD GLU A 94 4.908 10.559 -6.008 1.00 0.00 C ATOM 1468 OE1 GLU A 94 4.684 10.316 -4.802 1.00 0.00 O ATOM 1469 OE2 GLU A 94 5.974 11.009 -6.481 1.00 0.00 O ATOM 0 H GLU A 94 3.332 7.661 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 94 5.400 8.392 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.433 8.673 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.107 8.541 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.097 10.527 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.922 10.922 -6.767 1.00 0.00 H new ATOM 1476 N VAL A 95 3.341 5.844 -6.859 1.00 0.00 N ATOM 1477 CA VAL A 95 3.206 4.550 -6.211 1.00 0.00 C ATOM 1478 C VAL A 95 4.316 3.620 -6.703 1.00 0.00 C ATOM 1479 O VAL A 95 4.865 2.838 -5.928 1.00 0.00 O ATOM 1480 CB VAL A 95 1.804 3.987 -6.453 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.731 4.946 -5.932 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.587 3.675 -7.936 1.00 0.00 C ATOM 0 H VAL A 95 2.527 6.138 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 95 3.320 4.650 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 95 1.717 3.053 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.256 4.522 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.867 5.097 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.817 5.903 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.583 3.276 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.703 4.588 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.321 2.939 -8.264 1.00 0.00 H new ATOM 1492 N SER A 96 4.615 3.735 -7.989 1.00 0.00 N ATOM 1493 CA SER A 96 5.650 2.914 -8.594 1.00 0.00 C ATOM 1494 C SER A 96 6.939 3.011 -7.776 1.00 0.00 C ATOM 1495 O SER A 96 7.111 3.941 -6.990 1.00 0.00 O ATOM 1496 CB SER A 96 5.908 3.332 -10.043 1.00 0.00 C ATOM 1497 OG SER A 96 6.240 4.713 -10.149 1.00 0.00 O ATOM 0 H SER A 96 4.158 4.385 -8.629 1.00 0.00 H new ATOM 0 HA SER A 96 5.307 1.879 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.719 2.732 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.022 3.125 -10.643 1.00 0.00 H new ATOM 0 HG SER A 96 5.478 5.256 -9.858 1.00 0.00 H new ATOM 1503 N GLN A 97 7.812 2.037 -7.990 1.00 0.00 N ATOM 1504 CA GLN A 97 9.081 2.002 -7.282 1.00 0.00 C ATOM 1505 C GLN A 97 8.915 1.305 -5.930 1.00 0.00 C ATOM 1506 O GLN A 97 9.869 1.201 -5.160 1.00 0.00 O ATOM 1507 CB GLN A 97 9.651 3.411 -7.107 1.00 0.00 C ATOM 1508 CG GLN A 97 11.160 3.426 -7.356 1.00 0.00 C ATOM 1509 CD GLN A 97 11.724 4.842 -7.218 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.013 5.320 -6.133 1.00 0.00 O ATOM 1511 NE2 GLN A 97 11.864 5.484 -8.375 1.00 0.00 N ATOM 0 H GLN A 97 7.666 1.267 -8.643 1.00 0.00 H new ATOM 0 HA GLN A 97 9.792 1.430 -7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.158 4.095 -7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.441 3.769 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.656 2.762 -6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.371 3.042 -8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.603 5.025 -9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.233 6.435 -8.389 1.00 0.00 H new ATOM 1520 N TRP A 98 7.697 0.847 -5.682 1.00 0.00 N ATOM 1521 CA TRP A 98 7.394 0.163 -4.436 1.00 0.00 C ATOM 1522 C TRP A 98 6.038 -0.528 -4.594 1.00 0.00 C ATOM 1523 O TRP A 98 5.874 -1.679 -4.191 1.00 0.00 O ATOM 1524 CB TRP A 98 7.436 1.134 -3.254 1.00 0.00 C ATOM 1525 CG TRP A 98 6.468 2.312 -3.381 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.691 3.505 -3.950 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.107 2.363 -2.904 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.578 4.317 -3.875 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.584 3.600 -3.219 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.343 1.394 -2.229 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.276 3.984 -2.897 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.038 1.793 -1.915 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.497 3.035 -2.225 1.00 0.00 C ATOM 0 H TRP A 98 6.908 0.936 -6.323 1.00 0.00 H new ATOM 0 HA TRP A 98 8.147 -0.594 -4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.208 0.587 -2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.450 1.520 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.625 3.794 -4.409 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.499 5.268 -4.235 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.732 0.420 -1.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.890 4.959 -3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.408 1.086 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.479 3.267 -1.948 1.00 0.00 H new ATOM 1544 N MET A 99 5.101 0.202 -5.181 1.00 0.00 N ATOM 1545 CA MET A 99 3.765 -0.326 -5.396 1.00 0.00 C ATOM 1546 C MET A 99 3.813 -1.822 -5.715 1.00 0.00 C ATOM 1547 O MET A 99 3.007 -2.596 -5.200 1.00 0.00 O ATOM 1548 CB MET A 99 3.101 0.422 -6.554 1.00 0.00 C ATOM 1549 CG MET A 99 1.832 -0.298 -7.015 1.00 0.00 C ATOM 1550 SD MET A 99 0.461 0.844 -7.048 1.00 0.00 S ATOM 1551 CE MET A 99 0.175 1.035 -5.296 1.00 0.00 C ATOM 0 H MET A 99 5.241 1.156 -5.515 1.00 0.00 H new ATOM 0 HA MET A 99 3.187 -0.186 -4.483 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.855 1.437 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.800 0.505 -7.387 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.985 -0.724 -8.007 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.610 -1.127 -6.343 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.139 2.058 -5.088 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.605 0.344 -4.977 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.095 0.820 -4.752 1.00 0.00 H new ATOM 1561 N VAL A 100 4.765 -2.184 -6.562 1.00 0.00 N ATOM 1562 CA VAL A 100 4.928 -3.574 -6.955 1.00 0.00 C ATOM 1563 C VAL A 100 4.800 -4.467 -5.719 1.00 0.00 C ATOM 1564 O VAL A 100 4.068 -5.456 -5.737 1.00 0.00 O ATOM 1565 CB VAL A 100 6.257 -3.757 -7.690 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.255 -3.004 -9.022 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.433 -3.320 -6.814 1.00 0.00 C ATOM 0 H VAL A 100 5.431 -1.539 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 100 4.143 -3.869 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 100 6.377 -4.819 -7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.211 -3.151 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.452 -3.384 -9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.101 -1.941 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.366 -3.460 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.321 -2.268 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.452 -3.920 -5.904 1.00 0.00 H new ATOM 1577 N GLY A 101 5.522 -4.087 -4.676 1.00 0.00 N ATOM 1578 CA GLY A 101 5.499 -4.842 -3.435 1.00 0.00 C ATOM 1579 C GLY A 101 4.075 -4.950 -2.886 1.00 0.00 C ATOM 1580 O GLY A 101 3.553 -6.051 -2.716 1.00 0.00 O ATOM 0 H GLY A 101 6.127 -3.266 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.904 -5.840 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.141 -4.358 -2.699 1.00 0.00 H new ATOM 1584 N VAL A 102 3.486 -3.792 -2.624 1.00 0.00 N ATOM 1585 CA VAL A 102 2.133 -3.743 -2.098 1.00 0.00 C ATOM 1586 C VAL A 102 1.261 -4.751 -2.849 1.00 0.00 C ATOM 1587 O VAL A 102 0.561 -5.553 -2.233 1.00 0.00 O ATOM 1588 CB VAL A 102 1.593 -2.313 -2.173 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.123 -2.259 -1.752 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.442 -1.362 -1.327 1.00 0.00 C ATOM 0 H VAL A 102 3.922 -2.881 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 102 2.123 -4.025 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 102 1.656 -1.985 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.236 -1.232 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.469 -2.891 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.025 -2.616 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.037 -0.352 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.426 -1.688 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.469 -1.368 -1.693 1.00 0.00 H new ATOM 1600 N LYS A 103 1.332 -4.677 -4.170 1.00 0.00 N ATOM 1601 CA LYS A 103 0.558 -5.573 -5.013 1.00 0.00 C ATOM 1602 C LYS A 103 0.715 -7.007 -4.503 1.00 0.00 C ATOM 1603 O LYS A 103 -0.275 -7.684 -4.229 1.00 0.00 O ATOM 1604 CB LYS A 103 0.947 -5.397 -6.482 1.00 0.00 C ATOM 1605 CG LYS A 103 0.374 -6.527 -7.340 1.00 0.00 C ATOM 1606 CD LYS A 103 0.069 -6.038 -8.758 1.00 0.00 C ATOM 1607 CE LYS A 103 0.176 -7.182 -9.767 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.057 -6.799 -10.893 1.00 0.00 N ATOM 0 H LYS A 103 1.914 -4.010 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.503 -5.328 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.581 -4.437 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.033 -5.380 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.084 -7.353 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.536 -6.912 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.933 -5.611 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.763 -5.243 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.569 -8.072 -9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.815 -7.437 -10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.119 -7.587 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.665 -5.963 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.007 -6.578 -10.531 1.00 0.00 H new ATOM 1622 N ARG A 104 1.966 -7.429 -4.393 1.00 0.00 N ATOM 1623 CA ARG A 104 2.265 -8.770 -3.921 1.00 0.00 C ATOM 1624 C ARG A 104 1.690 -8.980 -2.519 1.00 0.00 C ATOM 1625 O ARG A 104 0.967 -9.946 -2.278 1.00 0.00 O ATOM 1626 CB ARG A 104 3.774 -9.019 -3.889 1.00 0.00 C ATOM 1627 CG ARG A 104 4.082 -10.481 -3.557 1.00 0.00 C ATOM 1628 CD ARG A 104 3.730 -11.396 -4.732 1.00 0.00 C ATOM 1629 NE ARG A 104 4.799 -11.340 -5.754 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.937 -12.231 -6.745 1.00 0.00 C ATOM 1631 NH1 ARG A 104 4.076 -13.252 -6.854 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.938 -12.102 -7.627 1.00 0.00 N ATOM 0 H ARG A 104 2.785 -6.865 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 104 1.807 -9.475 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.209 -8.762 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.238 -8.369 -3.148 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.139 -10.587 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.519 -10.784 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.604 -12.420 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.780 -11.090 -5.170 1.00 0.00 H new ATOM 0 HE ARG A 104 5.472 -10.576 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.315 -13.351 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.182 -13.930 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.594 -11.326 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.043 -12.780 -8.382 1.00 0.00 H new ATOM 1646 N LEU A 105 2.034 -8.060 -1.629 1.00 0.00 N ATOM 1647 CA LEU A 105 1.561 -8.132 -0.257 1.00 0.00 C ATOM 1648 C LEU A 105 0.082 -8.525 -0.251 1.00 0.00 C ATOM 1649 O LEU A 105 -0.313 -9.460 0.443 1.00 0.00 O ATOM 1650 CB LEU A 105 1.853 -6.824 0.480 1.00 0.00 C ATOM 1651 CG LEU A 105 1.572 -6.824 1.984 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.875 -6.780 2.785 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.626 -5.683 2.365 1.00 0.00 C ATOM 0 H LEU A 105 2.635 -7.261 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 105 2.099 -8.906 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.902 -6.570 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.263 -6.031 0.020 1.00 0.00 H new ATOM 0 HG LEU A 105 1.069 -7.757 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.647 -6.781 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.481 -7.653 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.427 -5.874 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.443 -5.706 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.079 -4.729 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.318 -5.800 1.833 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.695 -7.790 -1.034 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.121 -8.050 -1.128 1.00 0.00 C ATOM 1667 C ILE A 106 -2.348 -9.540 -1.390 1.00 0.00 C ATOM 1668 O ILE A 106 -2.890 -10.248 -0.543 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.764 -7.137 -2.173 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.557 -5.663 -1.817 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.244 -7.477 -2.364 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.589 -4.786 -3.070 1.00 0.00 C ATOM 0 H ILE A 106 -0.364 -7.015 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.614 -7.814 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.268 -7.311 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.333 -5.340 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.602 -5.539 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.676 -6.813 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.340 -8.510 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.771 -7.350 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.439 -3.744 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.796 -5.095 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.554 -4.893 -3.565 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.921 -9.973 -2.567 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.071 -11.366 -2.952 1.00 0.00 C ATOM 1686 C ALA A 107 -1.710 -12.260 -1.764 1.00 0.00 C ATOM 1687 O ALA A 107 -2.551 -13.008 -1.268 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.206 -11.652 -4.181 1.00 0.00 C ATOM 0 H ALA A 107 -1.471 -9.383 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.105 -11.580 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.318 -12.697 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.521 -11.012 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.161 -11.451 -3.945 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.459 -12.152 -1.342 1.00 0.00 N ATOM 1695 CA GLU A 108 0.024 -12.941 -0.222 1.00 0.00 C ATOM 1696 C GLU A 108 -0.945 -12.836 0.958 1.00 0.00 C ATOM 1697 O GLU A 108 -1.506 -13.839 1.397 1.00 0.00 O ATOM 1698 CB GLU A 108 1.434 -12.510 0.186 1.00 0.00 C ATOM 1699 CG GLU A 108 2.450 -12.857 -0.904 1.00 0.00 C ATOM 1700 CD GLU A 108 2.794 -14.348 -0.878 1.00 0.00 C ATOM 1701 OE1 GLU A 108 1.927 -15.123 -0.421 1.00 0.00 O ATOM 1702 OE2 GLU A 108 3.917 -14.678 -1.317 1.00 0.00 O ATOM 0 H GLU A 108 0.235 -11.530 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 108 0.075 -13.984 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.450 -11.437 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.713 -13.001 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.046 -12.590 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.356 -12.268 -0.762 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.111 -11.612 1.438 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.002 -11.362 2.559 1.00 0.00 C ATOM 1711 C LYS A 109 -3.293 -12.160 2.366 1.00 0.00 C ATOM 1712 O LYS A 109 -3.760 -12.824 3.290 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.228 -9.860 2.739 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.047 -9.210 3.462 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.066 -9.546 4.955 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.293 -8.940 5.638 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.179 -9.059 7.109 1.00 0.00 N ATOM 0 H LYS A 109 -0.644 -10.783 1.071 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.550 -11.706 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.366 -9.390 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.143 -9.692 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.112 -9.554 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.084 -8.129 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.069 -10.628 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.159 -9.169 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.391 -7.891 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.195 -9.447 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.130 -9.103 7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.654 -9.925 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.673 -8.232 7.486 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.832 -12.069 1.159 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.060 -12.775 0.834 1.00 0.00 C ATOM 1733 C LYS A 110 -4.848 -14.277 1.031 1.00 0.00 C ATOM 1734 O LYS A 110 -5.675 -14.949 1.647 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.536 -12.400 -0.571 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.701 -13.291 -1.011 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.153 -12.940 -2.430 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.385 -13.755 -2.829 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.320 -14.125 -4.261 1.00 0.00 N ATOM 0 H LYS A 110 -3.441 -11.518 0.395 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.862 -12.476 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.846 -11.355 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.711 -12.499 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.399 -14.338 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.535 -13.173 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.381 -11.876 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.342 -13.132 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.447 -14.655 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.289 -13.177 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.163 -14.678 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.283 -13.263 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.468 -14.695 -4.434 1.00 0.00 H new ATOM 1753 N SER A 111 -3.736 -14.760 0.498 1.00 0.00 N ATOM 1754 CA SER A 111 -3.405 -16.171 0.608 1.00 0.00 C ATOM 1755 C SER A 111 -3.650 -16.656 2.038 1.00 0.00 C ATOM 1756 O SER A 111 -4.384 -17.620 2.253 1.00 0.00 O ATOM 1757 CB SER A 111 -1.952 -16.429 0.202 1.00 0.00 C ATOM 1758 OG SER A 111 -1.854 -17.380 -0.854 1.00 0.00 O ATOM 0 H SER A 111 -3.052 -14.200 -0.011 1.00 0.00 H new ATOM 0 HA SER A 111 -4.049 -16.727 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.491 -15.492 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.392 -16.788 1.066 1.00 0.00 H new ATOM 0 HG SER A 111 -0.911 -17.516 -1.085 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.022 -15.966 2.979 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.163 -16.315 4.383 1.00 0.00 C ATOM 1766 C LEU A 112 -4.620 -16.687 4.667 1.00 0.00 C ATOM 1767 O LEU A 112 -4.918 -17.833 4.998 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.632 -15.188 5.271 1.00 0.00 C ATOM 1769 CG LEU A 112 -1.113 -15.001 5.280 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.715 -13.716 4.552 1.00 0.00 C ATOM 1771 CD2 LEU A 112 -0.564 -15.046 6.707 1.00 0.00 C ATOM 0 H LEU A 112 -2.414 -15.167 2.797 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.557 -17.189 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.092 -14.253 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.962 -15.372 6.294 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.663 -15.831 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.369 -13.607 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.055 -13.764 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.175 -12.860 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.517 -14.911 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.018 -14.249 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.800 -16.010 7.157 1.00 0.00 H new ATOM 1783 N SER A 113 -5.488 -15.696 4.529 1.00 0.00 N ATOM 1784 CA SER A 113 -6.906 -15.904 4.767 1.00 0.00 C ATOM 1785 C SER A 113 -7.337 -17.262 4.208 1.00 0.00 C ATOM 1786 O SER A 113 -7.713 -18.157 4.964 1.00 0.00 O ATOM 1787 CB SER A 113 -7.741 -14.784 4.142 1.00 0.00 C ATOM 1788 OG SER A 113 -8.868 -14.446 4.945 1.00 0.00 O ATOM 0 H SER A 113 -5.236 -14.746 4.255 1.00 0.00 H new ATOM 0 HA SER A 113 -7.077 -15.890 5.843 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.117 -13.901 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.080 -15.093 3.153 1.00 0.00 H new ATOM 0 HG SER A 113 -9.374 -13.727 4.513 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.266 -17.373 2.890 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.644 -18.606 2.221 1.00 0.00 C ATOM 1796 C GLY A 114 -8.994 -18.457 1.517 1.00 0.00 C ATOM 1797 O GLY A 114 -9.058 -17.983 0.384 1.00 0.00 O ATOM 0 H GLY A 114 -6.952 -16.629 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.879 -18.879 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.696 -19.417 2.948 1.00 0.00 H new ATOM 1801 N PRO A 115 -10.067 -18.882 2.235 1.00 0.00 N ATOM 1802 CA PRO A 115 -11.412 -18.801 1.691 1.00 0.00 C ATOM 1803 C PRO A 115 -11.926 -17.359 1.712 1.00 0.00 C ATOM 1804 O PRO A 115 -11.900 -16.702 2.751 1.00 0.00 O ATOM 1805 CB PRO A 115 -12.242 -19.739 2.552 1.00 0.00 C ATOM 1806 CG PRO A 115 -11.442 -19.953 3.826 1.00 0.00 C ATOM 1807 CD PRO A 115 -10.030 -19.449 3.580 1.00 0.00 C ATOM 0 HA PRO A 115 -11.460 -19.096 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.218 -19.306 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.420 -20.684 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.899 -19.417 4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.429 -21.009 4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.743 -18.700 4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.303 -20.258 3.649 1.00 0.00 H new ATOM 1815 N SER A 116 -12.380 -16.910 0.551 1.00 0.00 N ATOM 1816 CA SER A 116 -12.898 -15.559 0.423 1.00 0.00 C ATOM 1817 C SER A 116 -14.297 -15.592 -0.196 1.00 0.00 C ATOM 1818 O SER A 116 -15.257 -15.112 0.405 1.00 0.00 O ATOM 1819 CB SER A 116 -11.965 -14.689 -0.421 1.00 0.00 C ATOM 1820 OG SER A 116 -11.958 -13.333 0.017 1.00 0.00 O ATOM 0 H SER A 116 -12.400 -17.458 -0.309 1.00 0.00 H new ATOM 0 HA SER A 116 -12.958 -15.120 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 116 -10.953 -15.091 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.276 -14.731 -1.465 1.00 0.00 H new ATOM 0 HG SER A 116 -11.349 -12.811 -0.546 1.00 0.00 H new ATOM 1826 N SER A 117 -14.368 -16.162 -1.390 1.00 0.00 N ATOM 1827 CA SER A 117 -15.633 -16.264 -2.097 1.00 0.00 C ATOM 1828 C SER A 117 -16.235 -14.871 -2.296 1.00 0.00 C ATOM 1829 O SER A 117 -16.970 -14.380 -1.441 1.00 0.00 O ATOM 1830 CB SER A 117 -16.615 -17.163 -1.343 1.00 0.00 C ATOM 1831 OG SER A 117 -17.506 -17.839 -2.226 1.00 0.00 O ATOM 0 H SER A 117 -13.569 -16.558 -1.886 1.00 0.00 H new ATOM 0 HA SER A 117 -15.444 -16.715 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.060 -17.896 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.190 -16.562 -0.639 1.00 0.00 H new ATOM 0 HG SER A 117 -18.115 -18.404 -1.706 1.00 0.00 H new ATOM 1837 N GLY A 118 -15.900 -14.273 -3.430 1.00 0.00 N ATOM 1838 CA GLY A 118 -16.398 -12.947 -3.753 1.00 0.00 C ATOM 1839 C GLY A 118 -17.615 -13.028 -4.676 1.00 0.00 C ATOM 1840 O GLY A 118 -17.752 -13.975 -5.448 1.00 0.00 O ATOM 0 H GLY A 118 -15.289 -14.683 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -16.667 -12.422 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.611 -12.366 -4.234 1.00 0.00 H new TER 1844 GLY A 118