USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 723 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 36 GLN : amide:sc= -14.5! C(o=-20!,f=-24!) USER MOD Set 1.2: A 48 ASN : amide:sc= -5.68 K(o=-20,f=-29!) USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -0.115 F(o=-1.4,f=-0.55) USER MOD Set 2.2: A 32 TYR OH : rot 41:sc= 0.467 USER MOD Set 2.3: A 103 ASN :FLIP amide:sc= -0.905 X(o=-0.65,f=-0.55) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.24! USER MOD Single : A 10 SER OG : rot 8:sc= -3.34! USER MOD Single : A 11 SER OG : rot -1:sc= 0.917 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.22 (180deg=-1.1) USER MOD Single : A 30 THR OG1 : rot -160:sc=-0.00959 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 154:sc= 0.0673 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.1) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 64 SER OG : rot 180:sc= -0.168 USER MOD Single : A 65 THR OG1 : rot -149:sc= -0.785 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 60:sc= -1.54! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0981 USER MOD Single : A 89 THR OG1 : rot 180:sc=0.000475 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 94 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 73:sc= 0.674 USER MOD Single : A 113 ASN :FLIP amide:sc= -3.64! C(o=-4.7!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.323 13.424 -4.350 1.00 0.00 N ATOM 12 CA ALA A 2 3.900 12.266 -3.698 1.00 0.00 C ATOM 13 C ALA A 2 5.248 12.634 -3.093 1.00 0.00 C ATOM 14 O ALA A 2 6.181 12.977 -3.814 1.00 0.00 O ATOM 15 CB ALA A 2 4.053 11.136 -4.713 1.00 0.00 C ATOM 0 HA ALA A 2 3.243 11.930 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.487 10.264 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.075 10.876 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.706 11.460 -5.523 1.00 0.00 H new ATOM 21 N PRO A 3 5.347 12.560 -1.764 1.00 0.00 N ATOM 22 CA PRO A 3 6.547 12.870 -1.017 1.00 0.00 C ATOM 23 C PRO A 3 7.576 11.769 -1.225 1.00 0.00 C ATOM 24 O PRO A 3 7.330 10.818 -1.963 1.00 0.00 O ATOM 25 CB PRO A 3 6.096 12.930 0.441 1.00 0.00 C ATOM 26 CG PRO A 3 4.929 11.945 0.475 1.00 0.00 C ATOM 27 CD PRO A 3 4.269 12.160 -0.885 1.00 0.00 C ATOM 0 HA PRO A 3 7.013 13.804 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.893 12.636 1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.786 13.935 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.270 10.917 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.244 12.157 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.788 11.248 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.497 12.928 -0.832 1.00 0.00 H new ATOM 35 N THR A 4 8.733 11.899 -0.572 1.00 0.00 N ATOM 36 CA THR A 4 9.790 10.915 -0.692 1.00 0.00 C ATOM 37 C THR A 4 9.760 9.973 0.503 1.00 0.00 C ATOM 38 O THR A 4 10.099 10.368 1.617 1.00 0.00 O ATOM 39 CB THR A 4 11.137 11.625 -0.787 1.00 0.00 C ATOM 40 OG1 THR A 4 11.378 11.999 -2.125 1.00 0.00 O ATOM 41 CG2 THR A 4 12.243 10.685 -0.314 1.00 0.00 C ATOM 0 H THR A 4 8.954 12.681 0.045 1.00 0.00 H new ATOM 0 HA THR A 4 9.640 10.325 -1.596 1.00 0.00 H new ATOM 0 HB THR A 4 11.123 12.515 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.242 12.457 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.205 11.192 -0.382 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.057 10.396 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.257 9.795 -0.942 1.00 0.00 H new ATOM 49 N ALA A 5 9.353 8.723 0.269 1.00 0.00 N ATOM 50 CA ALA A 5 9.280 7.733 1.324 1.00 0.00 C ATOM 51 C ALA A 5 10.133 6.527 0.959 1.00 0.00 C ATOM 52 O ALA A 5 10.311 6.223 -0.219 1.00 0.00 O ATOM 53 CB ALA A 5 7.825 7.322 1.535 1.00 0.00 C ATOM 0 H ALA A 5 9.070 8.380 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 5 9.663 8.156 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.769 6.577 2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.237 8.196 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.429 6.899 0.612 1.00 0.00 H new ATOM 59 N THR A 6 10.663 5.838 1.972 1.00 0.00 N ATOM 60 CA THR A 6 11.493 4.671 1.749 1.00 0.00 C ATOM 61 C THR A 6 10.792 3.428 2.277 1.00 0.00 C ATOM 62 O THR A 6 10.496 3.336 3.466 1.00 0.00 O ATOM 63 CB THR A 6 12.840 4.867 2.438 1.00 0.00 C ATOM 64 OG1 THR A 6 12.651 5.561 3.650 1.00 0.00 O ATOM 65 CG2 THR A 6 13.764 5.672 1.529 1.00 0.00 C ATOM 0 H THR A 6 10.527 6.076 2.954 1.00 0.00 H new ATOM 0 HA THR A 6 11.662 4.540 0.680 1.00 0.00 H new ATOM 0 HB THR A 6 13.289 3.895 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.516 5.686 4.094 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.727 5.812 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.910 5.135 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.316 6.644 1.324 1.00 0.00 H new ATOM 73 N VAL A 7 10.528 2.468 1.387 1.00 0.00 N ATOM 74 CA VAL A 7 9.865 1.236 1.766 1.00 0.00 C ATOM 75 C VAL A 7 10.815 0.062 1.578 1.00 0.00 C ATOM 76 O VAL A 7 11.608 0.046 0.639 1.00 0.00 O ATOM 77 CB VAL A 7 8.608 1.055 0.920 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.787 -0.143 -0.008 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.410 0.816 1.834 1.00 0.00 C ATOM 0 H VAL A 7 10.768 2.529 0.397 1.00 0.00 H new ATOM 0 HA VAL A 7 9.577 1.281 2.816 1.00 0.00 H new ATOM 0 HB VAL A 7 8.438 1.953 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.889 -0.272 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.643 0.027 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.957 -1.041 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.512 0.687 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.580 -0.081 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.282 1.672 2.497 1.00 0.00 H new ATOM 89 N THR A 8 10.734 -0.924 2.475 1.00 0.00 N ATOM 90 CA THR A 8 11.586 -2.093 2.400 1.00 0.00 C ATOM 91 C THR A 8 11.217 -2.926 1.181 1.00 0.00 C ATOM 92 O THR A 8 10.176 -2.704 0.566 1.00 0.00 O ATOM 93 CB THR A 8 11.439 -2.912 3.679 1.00 0.00 C ATOM 94 OG1 THR A 8 12.708 -3.362 4.097 1.00 0.00 O ATOM 95 CG2 THR A 8 10.536 -4.113 3.413 1.00 0.00 C ATOM 0 H THR A 8 10.083 -0.927 3.260 1.00 0.00 H new ATOM 0 HA THR A 8 12.626 -1.782 2.300 1.00 0.00 H new ATOM 0 HB THR A 8 10.998 -2.292 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.614 -3.887 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.431 -4.698 4.326 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.555 -3.766 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.977 -4.734 2.633 1.00 0.00 H new ATOM 103 N PRO A 9 12.075 -3.888 0.832 1.00 0.00 N ATOM 104 CA PRO A 9 11.890 -4.778 -0.294 1.00 0.00 C ATOM 105 C PRO A 9 10.786 -5.778 0.022 1.00 0.00 C ATOM 106 O PRO A 9 10.930 -6.599 0.925 1.00 0.00 O ATOM 107 CB PRO A 9 13.235 -5.481 -0.462 1.00 0.00 C ATOM 108 CG PRO A 9 13.781 -5.511 0.965 1.00 0.00 C ATOM 109 CD PRO A 9 13.308 -4.176 1.533 1.00 0.00 C ATOM 0 HA PRO A 9 11.595 -4.256 -1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.119 -6.484 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.895 -4.936 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.387 -6.355 1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.868 -5.596 0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.145 -4.240 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.048 -3.393 1.369 1.00 0.00 H new ATOM 117 N SER A 10 9.682 -5.706 -0.725 1.00 0.00 N ATOM 118 CA SER A 10 8.563 -6.603 -0.520 1.00 0.00 C ATOM 119 C SER A 10 8.272 -7.367 -1.804 1.00 0.00 C ATOM 120 O SER A 10 7.219 -7.988 -1.934 1.00 0.00 O ATOM 121 CB SER A 10 7.342 -5.800 -0.080 1.00 0.00 C ATOM 122 OG SER A 10 6.174 -6.399 -0.596 1.00 0.00 O ATOM 0 H SER A 10 9.547 -5.031 -1.477 1.00 0.00 H new ATOM 0 HA SER A 10 8.808 -7.324 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.293 -5.760 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.423 -4.772 -0.433 1.00 0.00 H new ATOM 0 HG SER A 10 6.402 -7.258 -1.010 1.00 0.00 H new ATOM 128 N SER A 11 9.210 -7.322 -2.752 1.00 0.00 N ATOM 129 CA SER A 11 9.050 -8.011 -4.017 1.00 0.00 C ATOM 130 C SER A 11 9.803 -9.333 -3.984 1.00 0.00 C ATOM 131 O SER A 11 11.029 -9.350 -3.898 1.00 0.00 O ATOM 132 CB SER A 11 9.564 -7.124 -5.147 1.00 0.00 C ATOM 133 OG SER A 11 10.974 -7.109 -5.128 1.00 0.00 O ATOM 0 H SER A 11 10.088 -6.812 -2.659 1.00 0.00 H new ATOM 0 HA SER A 11 7.995 -8.222 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.206 -7.496 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.177 -6.111 -5.033 1.00 0.00 H new ATOM 0 HG SER A 11 11.297 -7.664 -4.387 1.00 0.00 H new ATOM 139 N GLY A 12 9.066 -10.445 -4.054 1.00 0.00 N ATOM 140 CA GLY A 12 9.671 -11.761 -4.032 1.00 0.00 C ATOM 141 C GLY A 12 9.458 -12.417 -2.674 1.00 0.00 C ATOM 142 O GLY A 12 9.923 -13.530 -2.440 1.00 0.00 O ATOM 0 H GLY A 12 8.049 -10.450 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.237 -12.382 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.738 -11.682 -4.242 1.00 0.00 H new ATOM 146 N LEU A 13 8.753 -11.722 -1.778 1.00 0.00 N ATOM 147 CA LEU A 13 8.483 -12.238 -0.451 1.00 0.00 C ATOM 148 C LEU A 13 6.989 -12.479 -0.285 1.00 0.00 C ATOM 149 O LEU A 13 6.174 -11.701 -0.775 1.00 0.00 O ATOM 150 CB LEU A 13 8.989 -11.246 0.592 1.00 0.00 C ATOM 151 CG LEU A 13 8.729 -9.822 0.109 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.337 -9.380 0.553 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.775 -8.884 0.703 1.00 0.00 C ATOM 0 H LEU A 13 8.361 -10.797 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 13 9.002 -13.187 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.487 -11.416 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.055 -11.394 0.763 1.00 0.00 H new ATOM 0 HG LEU A 13 8.790 -9.791 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.151 -8.363 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.590 -10.050 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.275 -9.411 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.589 -7.867 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.715 -8.915 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.769 -9.199 0.385 1.00 0.00 H new ATOM 165 N SER A 14 6.632 -13.562 0.409 1.00 0.00 N ATOM 166 CA SER A 14 5.241 -13.898 0.636 1.00 0.00 C ATOM 167 C SER A 14 4.859 -13.574 2.074 1.00 0.00 C ATOM 168 O SER A 14 5.626 -12.939 2.794 1.00 0.00 O ATOM 169 CB SER A 14 5.021 -15.378 0.339 1.00 0.00 C ATOM 170 OG SER A 14 5.399 -15.651 -0.992 1.00 0.00 O ATOM 0 H SER A 14 7.296 -14.218 0.821 1.00 0.00 H new ATOM 0 HA SER A 14 4.608 -13.309 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.605 -15.989 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.974 -15.639 0.492 1.00 0.00 H new ATOM 0 HG SER A 14 5.260 -16.602 -1.183 1.00 0.00 H new ATOM 176 N ASP A 15 3.669 -14.013 2.491 1.00 0.00 N ATOM 177 CA ASP A 15 3.193 -13.768 3.837 1.00 0.00 C ATOM 178 C ASP A 15 4.322 -13.997 4.832 1.00 0.00 C ATOM 179 O ASP A 15 5.242 -14.766 4.563 1.00 0.00 O ATOM 180 CB ASP A 15 2.014 -14.690 4.134 1.00 0.00 C ATOM 181 CG ASP A 15 1.021 -14.019 5.072 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.450 -13.657 6.189 1.00 0.00 O ATOM 183 OD2 ASP A 15 -0.149 -13.879 4.654 1.00 0.00 O ATOM 0 H ASP A 15 3.022 -14.541 1.906 1.00 0.00 H new ATOM 0 HA ASP A 15 2.860 -12.734 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.515 -14.960 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.375 -15.616 4.582 1.00 0.00 H new ATOM 188 N GLY A 16 4.251 -13.327 5.985 1.00 0.00 N ATOM 189 CA GLY A 16 5.268 -13.465 7.008 1.00 0.00 C ATOM 190 C GLY A 16 6.254 -12.308 6.930 1.00 0.00 C ATOM 191 O GLY A 16 6.899 -11.970 7.921 1.00 0.00 O ATOM 0 H GLY A 16 3.496 -12.685 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.802 -13.489 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.795 -14.411 6.881 1.00 0.00 H new ATOM 195 N THR A 17 6.372 -11.700 5.748 1.00 0.00 N ATOM 196 CA THR A 17 7.278 -10.587 5.551 1.00 0.00 C ATOM 197 C THR A 17 6.525 -9.273 5.695 1.00 0.00 C ATOM 198 O THR A 17 5.339 -9.196 5.380 1.00 0.00 O ATOM 199 CB THR A 17 7.920 -10.693 4.170 1.00 0.00 C ATOM 200 OG1 THR A 17 8.920 -11.686 4.192 1.00 0.00 O ATOM 201 CG2 THR A 17 8.543 -9.351 3.794 1.00 0.00 C ATOM 0 H THR A 17 5.846 -11.967 4.916 1.00 0.00 H new ATOM 0 HA THR A 17 8.063 -10.616 6.307 1.00 0.00 H new ATOM 0 HB THR A 17 7.160 -10.959 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.535 -11.548 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.002 -9.426 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.770 -8.583 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.303 -9.084 4.528 1.00 0.00 H new ATOM 209 N VAL A 18 7.217 -8.237 6.174 1.00 0.00 N ATOM 210 CA VAL A 18 6.613 -6.932 6.358 1.00 0.00 C ATOM 211 C VAL A 18 7.395 -5.888 5.575 1.00 0.00 C ATOM 212 O VAL A 18 8.612 -5.993 5.440 1.00 0.00 O ATOM 213 CB VAL A 18 6.590 -6.589 7.845 1.00 0.00 C ATOM 214 CG1 VAL A 18 5.281 -7.075 8.460 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.764 -7.270 8.542 1.00 0.00 C ATOM 0 H VAL A 18 8.200 -8.286 6.440 1.00 0.00 H new ATOM 0 HA VAL A 18 5.589 -6.944 5.986 1.00 0.00 H new ATOM 0 HB VAL A 18 6.670 -5.509 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.265 -6.830 9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.442 -6.588 7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.199 -8.155 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.748 -7.025 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.685 -8.350 8.417 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.699 -6.922 8.103 1.00 0.00 H new ATOM 225 N VAL A 19 6.692 -4.877 5.058 1.00 0.00 N ATOM 226 CA VAL A 19 7.322 -3.820 4.293 1.00 0.00 C ATOM 227 C VAL A 19 7.277 -2.518 5.079 1.00 0.00 C ATOM 228 O VAL A 19 6.200 -2.029 5.413 1.00 0.00 O ATOM 229 CB VAL A 19 6.607 -3.668 2.953 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.305 -4.463 2.978 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.297 -2.194 2.707 1.00 0.00 C ATOM 0 H VAL A 19 5.682 -4.776 5.161 1.00 0.00 H new ATOM 0 HA VAL A 19 8.366 -4.073 4.106 1.00 0.00 H new ATOM 0 HB VAL A 19 7.247 -4.044 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.794 -4.355 2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.525 -5.516 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.664 -4.087 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.786 -2.084 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.657 -1.819 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.226 -1.625 2.690 1.00 0.00 H new ATOM 241 N LYS A 20 8.452 -1.957 5.376 1.00 0.00 N ATOM 242 CA LYS A 20 8.539 -0.716 6.120 1.00 0.00 C ATOM 243 C LYS A 20 8.245 0.461 5.201 1.00 0.00 C ATOM 244 O LYS A 20 8.856 0.593 4.143 1.00 0.00 O ATOM 245 CB LYS A 20 9.930 -0.589 6.734 1.00 0.00 C ATOM 246 CG LYS A 20 9.820 0.057 8.112 1.00 0.00 C ATOM 247 CD LYS A 20 9.814 1.576 7.964 1.00 0.00 C ATOM 248 CE LYS A 20 11.242 2.103 8.066 1.00 0.00 C ATOM 249 NZ LYS A 20 11.899 2.106 6.750 1.00 0.00 N ATOM 0 H LYS A 20 9.354 -2.351 5.108 1.00 0.00 H new ATOM 0 HA LYS A 20 7.800 -0.717 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.394 -1.572 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.571 0.012 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.908 -0.274 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.655 -0.255 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.379 1.857 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.193 2.025 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.232 3.114 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.813 1.485 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.655 2.820 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.307 1.168 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.200 2.333 6.014 1.00 0.00 H new ATOM 263 N VAL A 21 7.305 1.318 5.608 1.00 0.00 N ATOM 264 CA VAL A 21 6.935 2.478 4.822 1.00 0.00 C ATOM 265 C VAL A 21 7.344 3.747 5.555 1.00 0.00 C ATOM 266 O VAL A 21 6.815 4.047 6.623 1.00 0.00 O ATOM 267 CB VAL A 21 5.431 2.460 4.568 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.151 2.916 3.139 1.00 0.00 C ATOM 269 CG2 VAL A 21 4.899 1.042 4.762 1.00 0.00 C ATOM 0 H VAL A 21 6.789 1.222 6.483 1.00 0.00 H new ATOM 0 HA VAL A 21 7.452 2.454 3.863 1.00 0.00 H new ATOM 0 HB VAL A 21 4.936 3.133 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.076 2.903 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.531 3.928 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.646 2.243 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.824 1.029 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.394 0.369 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.099 0.715 5.782 1.00 0.00 H new ATOM 279 N ALA A 22 8.288 4.495 4.978 1.00 0.00 N ATOM 280 CA ALA A 22 8.762 5.725 5.578 1.00 0.00 C ATOM 281 C ALA A 22 8.670 6.860 4.568 1.00 0.00 C ATOM 282 O ALA A 22 9.236 6.772 3.480 1.00 0.00 O ATOM 283 CB ALA A 22 10.200 5.538 6.052 1.00 0.00 C ATOM 0 H ALA A 22 8.735 4.261 4.092 1.00 0.00 H new ATOM 0 HA ALA A 22 8.141 5.978 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.557 6.463 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.239 4.736 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.833 5.281 5.202 1.00 0.00 H new ATOM 289 N GLY A 23 7.955 7.928 4.928 1.00 0.00 N ATOM 290 CA GLY A 23 7.796 9.069 4.049 1.00 0.00 C ATOM 291 C GLY A 23 8.901 10.086 4.300 1.00 0.00 C ATOM 292 O GLY A 23 9.449 10.153 5.398 1.00 0.00 O ATOM 0 H GLY A 23 7.479 8.018 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.822 8.742 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.823 9.531 4.214 1.00 0.00 H new ATOM 296 N ALA A 24 9.228 10.879 3.276 1.00 0.00 N ATOM 297 CA ALA A 24 10.264 11.885 3.389 1.00 0.00 C ATOM 298 C ALA A 24 9.946 13.057 2.472 1.00 0.00 C ATOM 299 O ALA A 24 10.052 12.941 1.253 1.00 0.00 O ATOM 300 CB ALA A 24 11.612 11.267 3.030 1.00 0.00 C ATOM 0 H ALA A 24 8.783 10.836 2.359 1.00 0.00 H new ATOM 0 HA ALA A 24 10.310 12.254 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.393 12.023 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.828 10.444 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.579 10.892 2.007 1.00 0.00 H new ATOM 306 N GLY A 25 9.555 14.190 3.060 1.00 0.00 N ATOM 307 CA GLY A 25 9.225 15.373 2.290 1.00 0.00 C ATOM 308 C GLY A 25 7.716 15.491 2.126 1.00 0.00 C ATOM 309 O GLY A 25 7.238 16.221 1.261 1.00 0.00 O ATOM 0 H GLY A 25 9.462 14.305 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.614 16.261 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.702 15.323 1.311 1.00 0.00 H new ATOM 313 N LEU A 26 6.965 14.769 2.962 1.00 0.00 N ATOM 314 CA LEU A 26 5.517 14.796 2.907 1.00 0.00 C ATOM 315 C LEU A 26 4.986 15.904 3.805 1.00 0.00 C ATOM 316 O LEU A 26 5.757 16.573 4.491 1.00 0.00 O ATOM 317 CB LEU A 26 4.967 13.440 3.339 1.00 0.00 C ATOM 318 CG LEU A 26 6.108 12.429 3.414 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.802 12.544 4.768 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.549 11.019 3.246 1.00 0.00 C ATOM 0 H LEU A 26 7.346 14.159 3.685 1.00 0.00 H new ATOM 0 HA LEU A 26 5.192 14.997 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.479 13.526 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.211 13.100 2.631 1.00 0.00 H new ATOM 0 HG LEU A 26 6.827 12.632 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.617 11.822 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.201 13.551 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.084 12.341 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.363 10.296 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.830 10.816 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.054 10.937 2.279 1.00 0.00 H new ATOM 332 N GLN A 27 3.665 16.098 3.800 1.00 0.00 N ATOM 333 CA GLN A 27 3.040 17.122 4.612 1.00 0.00 C ATOM 334 C GLN A 27 3.366 16.888 6.080 1.00 0.00 C ATOM 335 O GLN A 27 3.060 15.829 6.625 1.00 0.00 O ATOM 336 CB GLN A 27 1.532 17.101 4.382 1.00 0.00 C ATOM 337 CG GLN A 27 1.217 17.680 3.006 1.00 0.00 C ATOM 338 CD GLN A 27 -0.193 17.310 2.570 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.446 16.009 2.405 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -1.038 18.183 2.387 1.00 0.00 N flip ATOM 0 H GLN A 27 3.013 15.552 3.237 1.00 0.00 H new ATOM 0 HA GLN A 27 3.424 18.102 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.157 16.080 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.028 17.680 5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.321 18.765 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.937 17.308 2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.796 19.164 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.981 17.927 2.096 1.00 0.00 H new ATOM 349 N ALA A 28 3.987 17.881 6.721 1.00 0.00 N ATOM 350 CA ALA A 28 4.350 17.778 8.120 1.00 0.00 C ATOM 351 C ALA A 28 3.101 17.869 8.985 1.00 0.00 C ATOM 352 O ALA A 28 2.281 18.766 8.802 1.00 0.00 O ATOM 353 CB ALA A 28 5.334 18.891 8.472 1.00 0.00 C ATOM 0 H ALA A 28 4.246 18.765 6.284 1.00 0.00 H new ATOM 0 HA ALA A 28 4.827 16.816 8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.608 18.815 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.228 18.794 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.869 19.859 8.287 1.00 0.00 H new ATOM 359 N GLY A 29 2.957 16.937 9.930 1.00 0.00 N ATOM 360 CA GLY A 29 1.809 16.920 10.814 1.00 0.00 C ATOM 361 C GLY A 29 0.585 16.392 10.079 1.00 0.00 C ATOM 362 O GLY A 29 -0.524 16.427 10.608 1.00 0.00 O ATOM 0 H GLY A 29 3.627 16.186 10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.019 16.294 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.613 17.926 11.186 1.00 0.00 H new ATOM 366 N THR A 30 0.788 15.901 8.854 1.00 0.00 N ATOM 367 CA THR A 30 -0.299 15.370 8.057 1.00 0.00 C ATOM 368 C THR A 30 -0.413 13.867 8.271 1.00 0.00 C ATOM 369 O THR A 30 0.597 13.174 8.377 1.00 0.00 O ATOM 370 CB THR A 30 -0.053 15.689 6.585 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.043 16.583 6.126 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.113 14.401 5.768 1.00 0.00 C ATOM 0 H THR A 30 1.700 15.864 8.400 1.00 0.00 H new ATOM 0 HA THR A 30 -1.237 15.832 8.364 1.00 0.00 H new ATOM 0 HB THR A 30 0.930 16.146 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.090 16.545 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.063 14.629 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.651 13.709 6.122 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.096 13.944 5.881 1.00 0.00 H new ATOM 380 N ALA A 31 -1.648 13.364 8.334 1.00 0.00 N ATOM 381 CA ALA A 31 -1.888 11.950 8.535 1.00 0.00 C ATOM 382 C ALA A 31 -1.857 11.226 7.197 1.00 0.00 C ATOM 383 O ALA A 31 -2.176 11.812 6.165 1.00 0.00 O ATOM 384 CB ALA A 31 -3.236 11.756 9.224 1.00 0.00 C ATOM 0 H ALA A 31 -2.495 13.926 8.247 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.107 11.532 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.417 10.692 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.228 12.264 10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.027 12.174 8.601 1.00 0.00 H new ATOM 390 N TYR A 32 -1.471 9.948 7.216 1.00 0.00 N ATOM 391 CA TYR A 32 -1.399 9.155 6.005 1.00 0.00 C ATOM 392 C TYR A 32 -1.942 7.758 6.270 1.00 0.00 C ATOM 393 O TYR A 32 -1.610 7.142 7.281 1.00 0.00 O ATOM 394 CB TYR A 32 0.048 9.091 5.526 1.00 0.00 C ATOM 395 CG TYR A 32 0.522 10.365 4.869 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.169 10.884 3.767 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.653 11.028 5.361 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.271 12.066 3.158 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.092 12.210 4.752 1.00 0.00 C ATOM 400 CZ TYR A 32 1.401 12.729 3.651 1.00 0.00 C ATOM 401 OH TYR A 32 1.828 13.880 3.058 1.00 0.00 O ATOM 0 H TYR A 32 -1.205 9.447 8.063 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.006 9.617 5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.694 8.867 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.153 8.267 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.041 10.373 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.187 10.628 6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.262 12.466 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.964 12.721 5.132 1.00 0.00 H new ATOM 0 HH TYR A 32 1.054 14.434 2.824 1.00 0.00 H new ATOM 411 N ASP A 33 -2.778 7.257 5.358 1.00 0.00 N ATOM 412 CA ASP A 33 -3.362 5.939 5.498 1.00 0.00 C ATOM 413 C ASP A 33 -2.602 4.945 4.632 1.00 0.00 C ATOM 414 O ASP A 33 -2.635 5.035 3.406 1.00 0.00 O ATOM 415 CB ASP A 33 -4.834 5.990 5.100 1.00 0.00 C ATOM 416 CG ASP A 33 -5.710 6.330 6.297 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.152 6.881 7.270 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.921 6.032 6.217 1.00 0.00 O ATOM 0 H ASP A 33 -3.061 7.754 4.514 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.292 5.614 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.977 6.734 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.136 5.028 4.685 1.00 0.00 H new ATOM 423 N VAL A 34 -1.917 3.994 5.271 1.00 0.00 N ATOM 424 CA VAL A 34 -1.153 2.990 4.557 1.00 0.00 C ATOM 425 C VAL A 34 -1.956 1.700 4.470 1.00 0.00 C ATOM 426 O VAL A 34 -2.666 1.344 5.407 1.00 0.00 O ATOM 427 CB VAL A 34 0.173 2.755 5.274 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.278 2.542 4.244 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.507 3.970 6.135 1.00 0.00 C ATOM 0 H VAL A 34 -1.881 3.905 6.286 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.946 3.336 3.544 1.00 0.00 H new ATOM 0 HB VAL A 34 0.092 1.872 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.225 2.374 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.039 1.675 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.360 3.425 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.454 3.803 6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.588 4.854 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.282 4.122 6.871 1.00 0.00 H new ATOM 439 N GLY A 35 -1.841 0.997 3.340 1.00 0.00 N ATOM 440 CA GLY A 35 -2.556 -0.247 3.142 1.00 0.00 C ATOM 441 C GLY A 35 -1.971 -1.009 1.960 1.00 0.00 C ATOM 442 O GLY A 35 -1.231 -0.444 1.159 1.00 0.00 O ATOM 0 H GLY A 35 -1.256 1.277 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.495 -0.857 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.612 -0.043 2.966 1.00 0.00 H new ATOM 446 N GLN A 36 -2.306 -2.298 1.855 1.00 0.00 N ATOM 447 CA GLN A 36 -1.813 -3.129 0.776 1.00 0.00 C ATOM 448 C GLN A 36 -2.955 -3.487 -0.164 1.00 0.00 C ATOM 449 O GLN A 36 -3.908 -4.151 0.238 1.00 0.00 O ATOM 450 CB GLN A 36 -1.176 -4.389 1.357 1.00 0.00 C ATOM 451 CG GLN A 36 -1.261 -5.520 0.336 1.00 0.00 C ATOM 452 CD GLN A 36 -0.831 -6.842 0.954 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.560 -7.422 1.755 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.359 -7.318 0.580 1.00 0.00 N ATOM 0 H GLN A 36 -2.919 -2.781 2.511 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.059 -2.584 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.135 -4.196 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.686 -4.676 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.282 -5.603 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.627 -5.291 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.928 -6.799 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.699 -8.200 0.963 1.00 0.00 H new ATOM 463 N CYS A 37 -2.858 -3.044 -1.420 1.00 0.00 N ATOM 464 CA CYS A 37 -3.880 -3.319 -2.410 1.00 0.00 C ATOM 465 C CYS A 37 -3.361 -4.335 -3.417 1.00 0.00 C ATOM 466 O CYS A 37 -2.163 -4.605 -3.468 1.00 0.00 O ATOM 467 CB CYS A 37 -4.274 -2.019 -3.107 1.00 0.00 C ATOM 468 SG CYS A 37 -5.183 -0.865 -2.051 1.00 0.00 S ATOM 0 H CYS A 37 -2.075 -2.491 -1.768 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.761 -3.737 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.373 -1.528 -3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.884 -2.256 -3.978 1.00 0.00 H new ATOM 473 N ALA A 38 -4.267 -4.900 -4.218 1.00 0.00 N ATOM 474 CA ALA A 38 -3.898 -5.883 -5.217 1.00 0.00 C ATOM 475 C ALA A 38 -4.885 -5.839 -6.374 1.00 0.00 C ATOM 476 O ALA A 38 -6.094 -5.780 -6.159 1.00 0.00 O ATOM 477 CB ALA A 38 -3.873 -7.270 -4.579 1.00 0.00 C ATOM 0 H ALA A 38 -5.264 -4.687 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.905 -5.658 -5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.596 -8.011 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.145 -7.284 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.861 -7.506 -4.184 1.00 0.00 H new ATOM 483 N TRP A 39 -4.368 -5.867 -7.605 1.00 0.00 N ATOM 484 CA TRP A 39 -5.209 -5.831 -8.784 1.00 0.00 C ATOM 485 C TRP A 39 -6.067 -7.086 -8.848 1.00 0.00 C ATOM 486 O TRP A 39 -5.557 -8.197 -8.720 1.00 0.00 O ATOM 487 CB TRP A 39 -4.333 -5.711 -10.028 1.00 0.00 C ATOM 488 CG TRP A 39 -4.841 -6.443 -11.229 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.128 -6.473 -11.638 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.099 -7.257 -12.188 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.233 -7.244 -12.777 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.009 -7.753 -13.160 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.750 -7.626 -12.336 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.605 -8.569 -14.220 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.334 -8.445 -13.395 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.256 -8.917 -14.337 1.00 0.00 C ATOM 0 H TRP A 39 -3.368 -5.915 -7.802 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.871 -4.967 -8.735 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.229 -4.656 -10.281 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.336 -6.081 -9.790 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.949 -5.970 -11.148 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.107 -7.416 -13.274 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.022 -7.272 -11.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.326 -8.927 -14.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.292 -8.715 -13.485 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.927 -9.547 -15.150 1.00 0.00 H new ATOM 507 N VAL A 40 -7.375 -6.906 -9.045 1.00 0.00 N ATOM 508 CA VAL A 40 -8.297 -8.021 -9.125 1.00 0.00 C ATOM 509 C VAL A 40 -8.784 -8.185 -10.557 1.00 0.00 C ATOM 510 O VAL A 40 -8.936 -9.306 -11.038 1.00 0.00 O ATOM 511 CB VAL A 40 -9.470 -7.778 -8.179 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.212 -8.490 -6.854 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.621 -6.280 -7.930 1.00 0.00 C ATOM 0 H VAL A 40 -7.813 -5.991 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.791 -8.939 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.384 -8.166 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.050 -8.316 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.104 -9.560 -7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.297 -8.103 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.459 -6.106 -7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.707 -5.892 -7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.806 -5.771 -8.876 1.00 0.00 H new ATOM 523 N ASP A 41 -9.029 -7.064 -11.239 1.00 0.00 N ATOM 524 CA ASP A 41 -9.497 -7.090 -12.610 1.00 0.00 C ATOM 525 C ASP A 41 -9.013 -5.847 -13.343 1.00 0.00 C ATOM 526 O ASP A 41 -8.733 -4.826 -12.719 1.00 0.00 O ATOM 527 CB ASP A 41 -11.021 -7.168 -12.625 1.00 0.00 C ATOM 528 CG ASP A 41 -11.492 -8.473 -13.251 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.228 -9.527 -12.633 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.108 -8.392 -14.335 1.00 0.00 O ATOM 0 H ASP A 41 -8.908 -6.127 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.097 -7.967 -13.119 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.403 -7.090 -11.607 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.427 -6.325 -13.184 1.00 0.00 H new ATOM 535 N THR A 42 -8.914 -5.934 -14.671 1.00 0.00 N ATOM 536 CA THR A 42 -8.465 -4.815 -15.476 1.00 0.00 C ATOM 537 C THR A 42 -9.270 -3.571 -15.130 1.00 0.00 C ATOM 538 O THR A 42 -10.468 -3.509 -15.398 1.00 0.00 O ATOM 539 CB THR A 42 -8.615 -5.162 -16.955 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.674 -6.153 -17.303 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.373 -3.913 -17.797 1.00 0.00 C ATOM 0 H THR A 42 -9.141 -6.773 -15.205 1.00 0.00 H new ATOM 0 HA THR A 42 -7.415 -4.611 -15.267 1.00 0.00 H new ATOM 0 HB THR A 42 -9.622 -5.536 -17.140 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.771 -6.377 -18.252 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.480 -4.160 -18.853 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.100 -3.147 -17.528 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.366 -3.539 -17.612 1.00 0.00 H new ATOM 549 N GLY A 43 -8.609 -2.577 -14.533 1.00 0.00 N ATOM 550 CA GLY A 43 -9.268 -1.343 -14.155 1.00 0.00 C ATOM 551 C GLY A 43 -9.990 -1.516 -12.826 1.00 0.00 C ATOM 552 O GLY A 43 -10.758 -0.648 -12.416 1.00 0.00 O ATOM 0 H GLY A 43 -7.616 -2.611 -14.304 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.535 -0.540 -14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.979 -1.051 -14.928 1.00 0.00 H new ATOM 556 N VAL A 44 -9.741 -2.641 -12.153 1.00 0.00 N ATOM 557 CA VAL A 44 -10.366 -2.923 -10.876 1.00 0.00 C ATOM 558 C VAL A 44 -9.348 -3.544 -9.930 1.00 0.00 C ATOM 559 O VAL A 44 -8.661 -4.496 -10.293 1.00 0.00 O ATOM 560 CB VAL A 44 -11.551 -3.861 -11.087 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.699 -4.168 -12.574 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.314 -5.160 -10.321 1.00 0.00 C ATOM 0 H VAL A 44 -9.107 -3.370 -12.480 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.728 -1.996 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.461 -3.384 -10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.545 -4.838 -12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.868 -3.241 -13.122 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.789 -4.645 -12.939 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.160 -5.831 -10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.404 -5.637 -10.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.208 -4.942 -9.258 1.00 0.00 H new ATOM 572 N LEU A 45 -9.252 -3.003 -8.714 1.00 0.00 N ATOM 573 CA LEU A 45 -8.321 -3.505 -7.724 1.00 0.00 C ATOM 574 C LEU A 45 -9.033 -3.688 -6.391 1.00 0.00 C ATOM 575 O LEU A 45 -10.122 -3.156 -6.188 1.00 0.00 O ATOM 576 CB LEU A 45 -7.154 -2.531 -7.584 1.00 0.00 C ATOM 577 CG LEU A 45 -7.587 -1.337 -6.738 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.231 -1.592 -5.277 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.869 -0.082 -7.226 1.00 0.00 C ATOM 0 H LEU A 45 -9.815 -2.213 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.934 -4.473 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.304 -3.030 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.828 -2.194 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.664 -1.198 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.540 -0.739 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.744 -2.488 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.154 -1.731 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.178 0.772 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.792 -0.220 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.124 0.101 -8.270 1.00 0.00 H new ATOM 591 N ALA A 46 -8.414 -4.444 -5.481 1.00 0.00 N ATOM 592 CA ALA A 46 -8.989 -4.694 -4.175 1.00 0.00 C ATOM 593 C ALA A 46 -7.996 -4.303 -3.090 1.00 0.00 C ATOM 594 O ALA A 46 -6.788 -4.314 -3.319 1.00 0.00 O ATOM 595 CB ALA A 46 -9.364 -6.169 -4.059 1.00 0.00 C ATOM 0 H ALA A 46 -7.510 -4.892 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.889 -4.093 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.797 -6.358 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.091 -6.421 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.472 -6.782 -4.187 1.00 0.00 H new ATOM 601 N CYS A 47 -8.507 -3.957 -1.907 1.00 0.00 N ATOM 602 CA CYS A 47 -7.666 -3.564 -0.794 1.00 0.00 C ATOM 603 C CYS A 47 -7.814 -4.567 0.342 1.00 0.00 C ATOM 604 O CYS A 47 -8.850 -5.215 0.468 1.00 0.00 O ATOM 605 CB CYS A 47 -8.054 -2.163 -0.333 1.00 0.00 C ATOM 606 SG CYS A 47 -7.320 -0.834 -1.319 1.00 0.00 S ATOM 0 H CYS A 47 -9.506 -3.944 -1.703 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.622 -3.551 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.139 -2.069 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.754 -2.038 0.707 1.00 0.00 H new ATOM 611 N ASN A 48 -6.774 -4.693 1.169 1.00 0.00 N ATOM 612 CA ASN A 48 -6.796 -5.614 2.287 1.00 0.00 C ATOM 613 C ASN A 48 -6.833 -4.839 3.597 1.00 0.00 C ATOM 614 O ASN A 48 -5.834 -4.248 4.001 1.00 0.00 O ATOM 615 CB ASN A 48 -5.565 -6.514 2.227 1.00 0.00 C ATOM 616 CG ASN A 48 -5.545 -7.486 3.398 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.590 -7.799 3.965 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.353 -7.965 3.759 1.00 0.00 N ATOM 0 H ASN A 48 -5.907 -4.163 1.078 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.690 -6.236 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.561 -7.069 1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.662 -5.903 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.281 -8.621 4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.514 -7.675 3.257 1.00 0.00 H new ATOM 625 N PRO A 49 -7.991 -4.843 4.261 1.00 0.00 N ATOM 626 CA PRO A 49 -8.212 -4.166 5.521 1.00 0.00 C ATOM 627 C PRO A 49 -7.489 -4.909 6.634 1.00 0.00 C ATOM 628 O PRO A 49 -7.527 -4.491 7.789 1.00 0.00 O ATOM 629 CB PRO A 49 -9.725 -4.207 5.727 1.00 0.00 C ATOM 630 CG PRO A 49 -10.128 -5.498 5.017 1.00 0.00 C ATOM 631 CD PRO A 49 -9.186 -5.528 3.816 1.00 0.00 C ATOM 0 HA PRO A 49 -7.835 -3.143 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.989 -4.228 6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.216 -3.336 5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.996 -6.370 5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.174 -5.482 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.965 -6.551 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.629 -5.029 2.954 1.00 0.00 H new ATOM 639 N ALA A 50 -6.829 -6.016 6.285 1.00 0.00 N ATOM 640 CA ALA A 50 -6.104 -6.813 7.254 1.00 0.00 C ATOM 641 C ALA A 50 -4.668 -6.321 7.355 1.00 0.00 C ATOM 642 O ALA A 50 -3.922 -6.751 8.232 1.00 0.00 O ATOM 643 CB ALA A 50 -6.146 -8.280 6.839 1.00 0.00 C ATOM 0 H ALA A 50 -6.787 -6.375 5.331 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.570 -6.714 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.601 -8.880 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.182 -8.616 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.685 -8.394 5.858 1.00 0.00 H new ATOM 649 N ASP A 51 -4.280 -5.416 6.452 1.00 0.00 N ATOM 650 CA ASP A 51 -2.936 -4.873 6.443 1.00 0.00 C ATOM 651 C ASP A 51 -2.996 -3.354 6.380 1.00 0.00 C ATOM 652 O ASP A 51 -2.079 -2.716 5.869 1.00 0.00 O ATOM 653 CB ASP A 51 -2.170 -5.434 5.249 1.00 0.00 C ATOM 654 CG ASP A 51 -2.005 -6.943 5.369 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.117 -7.437 6.512 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.771 -7.574 4.316 1.00 0.00 O ATOM 0 H ASP A 51 -4.887 -5.048 5.719 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.417 -5.159 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.700 -5.194 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.190 -4.961 5.186 1.00 0.00 H new ATOM 661 N PHE A 52 -4.080 -2.774 6.902 1.00 0.00 N ATOM 662 CA PHE A 52 -4.250 -1.335 6.901 1.00 0.00 C ATOM 663 C PHE A 52 -3.468 -0.722 8.055 1.00 0.00 C ATOM 664 O PHE A 52 -3.824 -0.907 9.216 1.00 0.00 O ATOM 665 CB PHE A 52 -5.735 -1.000 7.015 1.00 0.00 C ATOM 666 CG PHE A 52 -6.324 -0.435 5.744 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.528 0.329 4.882 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.666 -0.678 5.427 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.074 0.850 3.703 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.211 -0.156 4.248 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.415 0.608 3.386 1.00 0.00 C ATOM 0 H PHE A 52 -4.850 -3.288 7.330 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.867 -0.920 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.283 -1.901 7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.876 -0.282 7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.493 0.516 5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.280 -1.268 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.460 1.439 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.246 -0.343 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.836 1.010 2.477 1.00 0.00 H new ATOM 681 N SER A 53 -2.401 0.012 7.731 1.00 0.00 N ATOM 682 CA SER A 53 -1.578 0.648 8.739 1.00 0.00 C ATOM 683 C SER A 53 -1.857 2.144 8.766 1.00 0.00 C ATOM 684 O SER A 53 -2.599 2.654 7.930 1.00 0.00 O ATOM 685 CB SER A 53 -0.106 0.378 8.438 1.00 0.00 C ATOM 686 OG SER A 53 0.559 0.019 9.629 1.00 0.00 O ATOM 0 H SER A 53 -2.093 0.176 6.772 1.00 0.00 H new ATOM 0 HA SER A 53 -1.816 0.237 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.015 -0.421 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.356 1.265 8.004 1.00 0.00 H new ATOM 0 HG SER A 53 1.333 -0.542 9.415 1.00 0.00 H new ATOM 692 N SER A 54 -1.260 2.847 9.731 1.00 0.00 N ATOM 693 CA SER A 54 -1.446 4.279 9.859 1.00 0.00 C ATOM 694 C SER A 54 -0.158 4.925 10.349 1.00 0.00 C ATOM 695 O SER A 54 0.657 4.276 11.000 1.00 0.00 O ATOM 696 CB SER A 54 -2.593 4.557 10.827 1.00 0.00 C ATOM 697 OG SER A 54 -2.190 4.231 12.138 1.00 0.00 O ATOM 0 H SER A 54 -0.643 2.439 10.433 1.00 0.00 H new ATOM 0 HA SER A 54 -1.696 4.706 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.882 5.607 10.774 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.469 3.971 10.548 1.00 0.00 H new ATOM 0 HG SER A 54 -2.925 4.411 12.760 1.00 0.00 H new ATOM 703 N VAL A 55 0.024 6.210 10.034 1.00 0.00 N ATOM 704 CA VAL A 55 1.208 6.938 10.443 1.00 0.00 C ATOM 705 C VAL A 55 0.991 8.430 10.239 1.00 0.00 C ATOM 706 O VAL A 55 0.174 8.834 9.414 1.00 0.00 O ATOM 707 CB VAL A 55 2.408 6.450 9.635 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.091 6.546 8.145 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.622 7.319 9.954 1.00 0.00 C ATOM 0 H VAL A 55 -0.642 6.762 9.494 1.00 0.00 H new ATOM 0 HA VAL A 55 1.402 6.761 11.501 1.00 0.00 H new ATOM 0 HB VAL A 55 2.624 5.414 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.947 6.198 7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.224 5.927 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.875 7.582 7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.480 6.972 9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.406 8.355 9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.848 7.251 11.018 1.00 0.00 H new ATOM 719 N THR A 56 1.725 9.251 10.994 1.00 0.00 N ATOM 720 CA THR A 56 1.607 10.692 10.889 1.00 0.00 C ATOM 721 C THR A 56 2.982 11.312 10.687 1.00 0.00 C ATOM 722 O THR A 56 3.944 10.924 11.347 1.00 0.00 O ATOM 723 CB THR A 56 0.946 11.240 12.150 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.218 10.496 12.432 1.00 0.00 O ATOM 725 CG2 THR A 56 0.573 12.704 11.934 1.00 0.00 C ATOM 0 H THR A 56 2.406 8.933 11.684 1.00 0.00 H new ATOM 0 HA THR A 56 0.988 10.947 10.029 1.00 0.00 H new ATOM 0 HB THR A 56 1.640 11.161 12.987 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.642 10.847 13.243 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.101 13.096 12.835 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.472 13.280 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.121 12.783 11.097 1.00 0.00 H new ATOM 733 N ALA A 57 3.073 12.279 9.771 1.00 0.00 N ATOM 734 CA ALA A 57 4.327 12.947 9.487 1.00 0.00 C ATOM 735 C ALA A 57 4.630 13.962 10.579 1.00 0.00 C ATOM 736 O ALA A 57 3.748 14.711 10.995 1.00 0.00 O ATOM 737 CB ALA A 57 4.241 13.628 8.124 1.00 0.00 C ATOM 0 H ALA A 57 2.285 12.612 9.216 1.00 0.00 H new ATOM 0 HA ALA A 57 5.136 12.217 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.184 14.131 7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.045 12.880 7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.433 14.360 8.133 1.00 0.00 H new ATOM 743 N ASP A 58 5.881 13.986 11.045 1.00 0.00 N ATOM 744 CA ASP A 58 6.291 14.906 12.086 1.00 0.00 C ATOM 745 C ASP A 58 6.500 16.293 11.494 1.00 0.00 C ATOM 746 O ASP A 58 6.199 16.522 10.325 1.00 0.00 O ATOM 747 CB ASP A 58 7.575 14.397 12.736 1.00 0.00 C ATOM 748 CG ASP A 58 8.663 14.180 11.695 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.633 14.912 10.682 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.505 13.286 11.931 1.00 0.00 O ATOM 0 H ASP A 58 6.624 13.372 10.710 1.00 0.00 H new ATOM 0 HA ASP A 58 5.514 14.970 12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.918 15.114 13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.376 13.462 13.260 1.00 0.00 H new ATOM 755 N ALA A 59 7.016 17.219 12.306 1.00 0.00 N ATOM 756 CA ALA A 59 7.259 18.576 11.860 1.00 0.00 C ATOM 757 C ALA A 59 8.278 18.572 10.729 1.00 0.00 C ATOM 758 O ALA A 59 8.270 19.460 9.880 1.00 0.00 O ATOM 759 CB ALA A 59 7.757 19.414 13.033 1.00 0.00 C ATOM 0 H ALA A 59 7.271 17.044 13.278 1.00 0.00 H new ATOM 0 HA ALA A 59 6.332 19.012 11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.940 20.435 12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.004 19.420 13.821 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.683 18.987 13.418 1.00 0.00 H new ATOM 765 N ASN A 60 9.159 17.568 10.720 1.00 0.00 N ATOM 766 CA ASN A 60 10.177 17.456 9.695 1.00 0.00 C ATOM 767 C ASN A 60 9.550 16.986 8.390 1.00 0.00 C ATOM 768 O ASN A 60 10.215 16.947 7.358 1.00 0.00 O ATOM 769 CB ASN A 60 11.257 16.481 10.158 1.00 0.00 C ATOM 770 CG ASN A 60 12.645 17.072 9.954 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.932 18.166 10.434 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.507 16.343 9.242 1.00 0.00 N ATOM 0 H ASN A 60 9.180 16.824 11.417 1.00 0.00 H new ATOM 0 HA ASN A 60 10.633 18.431 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.110 16.242 11.211 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.170 15.546 9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.452 16.689 9.076 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.221 15.440 8.864 1.00 0.00 H new ATOM 779 N GLY A 61 8.265 16.629 8.438 1.00 0.00 N ATOM 780 CA GLY A 61 7.560 16.165 7.260 1.00 0.00 C ATOM 781 C GLY A 61 7.981 14.743 6.918 1.00 0.00 C ATOM 782 O GLY A 61 8.012 14.366 5.749 1.00 0.00 O ATOM 0 H GLY A 61 7.698 16.655 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.485 16.201 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.769 16.826 6.419 1.00 0.00 H new ATOM 786 N SER A 62 8.307 13.953 7.944 1.00 0.00 N ATOM 787 CA SER A 62 8.724 12.580 7.747 1.00 0.00 C ATOM 788 C SER A 62 7.903 11.658 8.638 1.00 0.00 C ATOM 789 O SER A 62 7.605 11.999 9.781 1.00 0.00 O ATOM 790 CB SER A 62 10.212 12.450 8.061 1.00 0.00 C ATOM 791 OG SER A 62 10.433 12.753 9.421 1.00 0.00 O ATOM 0 H SER A 62 8.287 14.251 8.919 1.00 0.00 H new ATOM 0 HA SER A 62 8.559 12.292 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.554 11.438 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.789 13.125 7.428 1.00 0.00 H new ATOM 0 HG SER A 62 11.388 12.668 9.624 1.00 0.00 H new ATOM 797 N ALA A 63 7.538 10.487 8.112 1.00 0.00 N ATOM 798 CA ALA A 63 6.755 9.523 8.859 1.00 0.00 C ATOM 799 C ALA A 63 7.410 8.152 8.778 1.00 0.00 C ATOM 800 O ALA A 63 8.277 7.925 7.936 1.00 0.00 O ATOM 801 CB ALA A 63 5.336 9.479 8.299 1.00 0.00 C ATOM 0 H ALA A 63 7.778 10.190 7.166 1.00 0.00 H new ATOM 0 HA ALA A 63 6.709 9.819 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.746 8.754 8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.879 10.465 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.368 9.186 7.249 1.00 0.00 H new ATOM 807 N SER A 64 6.994 7.237 9.656 1.00 0.00 N ATOM 808 CA SER A 64 7.541 5.895 9.677 1.00 0.00 C ATOM 809 C SER A 64 6.473 4.908 10.126 1.00 0.00 C ATOM 810 O SER A 64 5.764 5.157 11.099 1.00 0.00 O ATOM 811 CB SER A 64 8.745 5.853 10.615 1.00 0.00 C ATOM 812 OG SER A 64 9.337 7.131 10.676 1.00 0.00 O ATOM 0 H SER A 64 6.277 7.410 10.361 1.00 0.00 H new ATOM 0 HA SER A 64 7.866 5.615 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.433 5.537 11.610 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.470 5.121 10.261 1.00 0.00 H new ATOM 0 HG SER A 64 10.109 7.105 11.279 1.00 0.00 H new ATOM 818 N THR A 65 6.358 3.784 9.415 1.00 0.00 N ATOM 819 CA THR A 65 5.379 2.769 9.747 1.00 0.00 C ATOM 820 C THR A 65 5.840 1.415 9.229 1.00 0.00 C ATOM 821 O THR A 65 6.879 1.315 8.581 1.00 0.00 O ATOM 822 CB THR A 65 4.030 3.149 9.143 1.00 0.00 C ATOM 823 OG1 THR A 65 3.057 3.199 10.162 1.00 0.00 O ATOM 824 CG2 THR A 65 3.626 2.105 8.105 1.00 0.00 C ATOM 0 H THR A 65 6.937 3.562 8.605 1.00 0.00 H new ATOM 0 HA THR A 65 5.273 2.702 10.830 1.00 0.00 H new ATOM 0 HB THR A 65 4.107 4.126 8.666 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.184 2.951 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.663 2.375 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.378 2.065 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.548 1.128 8.583 1.00 0.00 H new ATOM 832 N SER A 66 5.062 0.369 9.518 1.00 0.00 N ATOM 833 CA SER A 66 5.393 -0.972 9.080 1.00 0.00 C ATOM 834 C SER A 66 4.163 -1.638 8.480 1.00 0.00 C ATOM 835 O SER A 66 3.165 -1.839 9.169 1.00 0.00 O ATOM 836 CB SER A 66 5.921 -1.778 10.264 1.00 0.00 C ATOM 837 OG SER A 66 6.194 -0.907 11.339 1.00 0.00 O ATOM 0 H SER A 66 4.198 0.435 10.056 1.00 0.00 H new ATOM 0 HA SER A 66 6.167 -0.927 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.188 -2.526 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.825 -2.315 9.978 1.00 0.00 H new ATOM 0 HG SER A 66 6.531 -1.423 12.101 1.00 0.00 H new ATOM 843 N LEU A 67 4.236 -1.982 7.192 1.00 0.00 N ATOM 844 CA LEU A 67 3.132 -2.624 6.507 1.00 0.00 C ATOM 845 C LEU A 67 3.337 -4.132 6.496 1.00 0.00 C ATOM 846 O LEU A 67 4.465 -4.608 6.603 1.00 0.00 O ATOM 847 CB LEU A 67 3.032 -2.081 5.084 1.00 0.00 C ATOM 848 CG LEU A 67 1.572 -2.077 4.643 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.274 -0.789 3.880 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.310 -3.277 3.738 1.00 0.00 C ATOM 0 H LEU A 67 5.056 -1.822 6.607 1.00 0.00 H new ATOM 0 HA LEU A 67 2.200 -2.409 7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.439 -1.071 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.626 -2.695 4.407 1.00 0.00 H new ATOM 0 HG LEU A 67 0.928 -2.137 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.231 -0.786 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.460 0.068 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.918 -0.728 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.267 -3.274 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.954 -3.219 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.522 -4.197 4.283 1.00 0.00 H new ATOM 862 N THR A 68 2.243 -4.885 6.365 1.00 0.00 N ATOM 863 CA THR A 68 2.312 -6.332 6.340 1.00 0.00 C ATOM 864 C THR A 68 1.953 -6.844 4.952 1.00 0.00 C ATOM 865 O THR A 68 0.917 -6.479 4.401 1.00 0.00 O ATOM 866 CB THR A 68 1.364 -6.904 7.389 1.00 0.00 C ATOM 867 OG1 THR A 68 0.697 -8.027 6.857 1.00 0.00 O ATOM 868 CG2 THR A 68 0.341 -5.843 7.783 1.00 0.00 C ATOM 0 H THR A 68 1.300 -4.507 6.275 1.00 0.00 H new ATOM 0 HA THR A 68 3.327 -6.654 6.572 1.00 0.00 H new ATOM 0 HB THR A 68 1.933 -7.203 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.354 -8.708 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.337 -6.252 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.857 -4.975 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.229 -5.543 6.904 1.00 0.00 H new ATOM 876 N VAL A 69 2.814 -7.695 4.388 1.00 0.00 N ATOM 877 CA VAL A 69 2.585 -8.253 3.071 1.00 0.00 C ATOM 878 C VAL A 69 1.959 -9.634 3.199 1.00 0.00 C ATOM 879 O VAL A 69 2.522 -10.517 3.843 1.00 0.00 O ATOM 880 CB VAL A 69 3.908 -8.328 2.314 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.947 -9.606 1.482 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.036 -7.118 1.394 1.00 0.00 C ATOM 0 H VAL A 69 3.677 -8.008 4.833 1.00 0.00 H new ATOM 0 HA VAL A 69 1.899 -7.614 2.515 1.00 0.00 H new ATOM 0 HB VAL A 69 4.734 -8.333 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.892 -9.659 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.855 -10.471 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.121 -9.602 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.981 -7.171 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.210 -7.113 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.009 -6.205 1.988 1.00 0.00 H new ATOM 892 N ARG A 70 0.789 -9.820 2.584 1.00 0.00 N ATOM 893 CA ARG A 70 0.092 -11.090 2.632 1.00 0.00 C ATOM 894 C ARG A 70 0.023 -11.694 1.237 1.00 0.00 C ATOM 895 O ARG A 70 -0.112 -10.972 0.252 1.00 0.00 O ATOM 896 CB ARG A 70 -1.309 -10.879 3.199 1.00 0.00 C ATOM 897 CG ARG A 70 -1.305 -11.186 4.694 1.00 0.00 C ATOM 898 CD ARG A 70 -0.039 -10.615 5.327 1.00 0.00 C ATOM 899 NE ARG A 70 -0.268 -10.253 6.726 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.122 -11.123 7.734 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.251 -12.385 7.481 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.348 -10.732 8.996 1.00 0.00 N ATOM 0 H ARG A 70 0.309 -9.098 2.046 1.00 0.00 H new ATOM 0 HA ARG A 70 0.632 -11.781 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.631 -9.852 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.021 -11.525 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.187 -10.755 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.351 -12.263 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.765 -11.348 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.286 -9.737 4.769 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.551 -9.297 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.424 -12.683 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.362 -13.048 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.631 -9.771 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.237 -11.395 9.763 1.00 0.00 H new ATOM 916 N ARG A 71 0.117 -13.023 1.155 1.00 0.00 N ATOM 917 CA ARG A 71 0.066 -13.717 -0.116 1.00 0.00 C ATOM 918 C ARG A 71 -1.312 -13.550 -0.740 1.00 0.00 C ATOM 919 O ARG A 71 -1.441 -13.505 -1.961 1.00 0.00 O ATOM 920 CB ARG A 71 0.387 -15.193 0.098 1.00 0.00 C ATOM 921 CG ARG A 71 -0.585 -15.782 1.117 1.00 0.00 C ATOM 922 CD ARG A 71 -0.509 -17.306 1.071 1.00 0.00 C ATOM 923 NE ARG A 71 -0.814 -17.887 2.378 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.051 -17.905 2.893 1.00 0.00 C ATOM 925 NH1 ARG A 71 -3.072 -17.377 2.204 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.268 -18.451 4.098 1.00 0.00 N ATOM 0 H ARG A 71 0.229 -13.635 1.963 1.00 0.00 H new ATOM 0 HA ARG A 71 0.805 -13.293 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.313 -15.733 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.412 -15.306 0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.340 -15.425 2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.601 -15.451 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.210 -17.686 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.488 -17.614 0.756 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.053 -18.296 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.908 -16.961 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.013 -17.391 2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.491 -18.853 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.210 -18.464 4.490 1.00 0.00 H new ATOM 940 N SER A 72 -2.343 -13.457 0.103 1.00 0.00 N ATOM 941 CA SER A 72 -3.703 -13.294 -0.370 1.00 0.00 C ATOM 942 C SER A 72 -4.550 -12.633 0.709 1.00 0.00 C ATOM 943 O SER A 72 -4.207 -12.683 1.888 1.00 0.00 O ATOM 944 CB SER A 72 -4.276 -14.657 -0.748 1.00 0.00 C ATOM 945 OG SER A 72 -4.727 -15.315 0.415 1.00 0.00 O ATOM 0 H SER A 72 -2.252 -13.493 1.118 1.00 0.00 H new ATOM 0 HA SER A 72 -3.711 -12.654 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.099 -14.535 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.516 -15.258 -1.247 1.00 0.00 H new ATOM 0 HG SER A 72 -5.097 -16.190 0.173 1.00 0.00 H new ATOM 951 N PHE A 73 -5.660 -12.013 0.302 1.00 0.00 N ATOM 952 CA PHE A 73 -6.547 -11.348 1.235 1.00 0.00 C ATOM 953 C PHE A 73 -7.761 -10.804 0.495 1.00 0.00 C ATOM 954 O PHE A 73 -7.694 -10.544 -0.704 1.00 0.00 O ATOM 955 CB PHE A 73 -5.793 -10.223 1.939 1.00 0.00 C ATOM 956 CG PHE A 73 -4.848 -9.472 1.033 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.355 -8.686 -0.009 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.465 -9.563 1.233 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.479 -7.991 -0.851 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.589 -8.867 0.391 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.096 -8.081 -0.651 1.00 0.00 C ATOM 0 H PHE A 73 -5.959 -11.962 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.893 -12.060 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.513 -9.522 2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.229 -10.641 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.422 -8.616 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.074 -10.170 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.870 -7.385 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.522 -8.936 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.420 -7.544 -1.300 1.00 0.00 H new ATOM 971 N GLU A 74 -8.873 -10.632 1.214 1.00 0.00 N ATOM 972 CA GLU A 74 -10.092 -10.120 0.620 1.00 0.00 C ATOM 973 C GLU A 74 -9.810 -8.804 -0.091 1.00 0.00 C ATOM 974 O GLU A 74 -9.567 -7.786 0.553 1.00 0.00 O ATOM 975 CB GLU A 74 -11.145 -9.931 1.708 1.00 0.00 C ATOM 976 CG GLU A 74 -10.576 -9.057 2.822 1.00 0.00 C ATOM 977 CD GLU A 74 -10.681 -9.757 4.169 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.732 -10.500 4.498 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.709 -9.535 4.845 1.00 0.00 O ATOM 0 H GLU A 74 -8.946 -10.843 2.209 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.469 -10.832 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.038 -9.468 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.447 -10.899 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.533 -8.823 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.114 -8.110 2.857 1.00 0.00 H new ATOM 986 N GLY A 75 -9.843 -8.826 -1.426 1.00 0.00 N ATOM 987 CA GLY A 75 -9.591 -7.635 -2.212 1.00 0.00 C ATOM 988 C GLY A 75 -10.706 -6.619 -2.004 1.00 0.00 C ATOM 989 O GLY A 75 -11.735 -6.677 -2.673 1.00 0.00 O ATOM 0 H GLY A 75 -10.043 -9.661 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.634 -7.198 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.520 -7.896 -3.268 1.00 0.00 H new ATOM 993 N PHE A 76 -10.499 -5.687 -1.071 1.00 0.00 N ATOM 994 CA PHE A 76 -11.485 -4.666 -0.780 1.00 0.00 C ATOM 995 C PHE A 76 -11.361 -3.527 -1.782 1.00 0.00 C ATOM 996 O PHE A 76 -10.502 -2.660 -1.636 1.00 0.00 O ATOM 997 CB PHE A 76 -11.285 -4.158 0.645 1.00 0.00 C ATOM 998 CG PHE A 76 -12.325 -4.663 1.616 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.321 -6.006 2.010 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.294 -3.788 2.121 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.286 -6.475 2.909 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.259 -4.257 3.021 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.255 -5.601 3.414 1.00 0.00 C ATOM 0 H PHE A 76 -9.651 -5.626 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.486 -5.088 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.297 -4.459 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.303 -3.068 0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.573 -6.681 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.297 -2.752 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.283 -7.511 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.006 -3.582 3.412 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.000 -5.963 4.107 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.221 -3.531 -2.804 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.204 -2.501 -3.823 1.00 0.00 C ATOM 1015 C LEU A 77 -12.315 -1.129 -3.173 1.00 0.00 C ATOM 1016 O LEU A 77 -13.004 -0.971 -2.167 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.354 -2.732 -4.798 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.874 -1.387 -5.298 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.826 -0.738 -6.198 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.161 -1.602 -6.090 1.00 0.00 C ATOM 0 H LEU A 77 -12.938 -4.244 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.264 -2.545 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.016 -3.339 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.155 -3.284 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.075 -0.736 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.198 0.223 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.906 -0.584 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.625 -1.388 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.533 -0.642 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.960 -2.253 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.910 -2.065 -5.448 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.636 -0.135 -3.750 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.664 1.214 -3.224 1.00 0.00 C ATOM 1034 C PHE A 78 -13.100 1.623 -2.926 1.00 0.00 C ATOM 1035 O PHE A 78 -13.376 2.212 -1.883 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.030 2.166 -4.235 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.626 2.584 -3.870 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.656 1.613 -3.591 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.292 3.943 -3.813 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.354 2.001 -3.255 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.990 4.330 -3.477 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.021 3.360 -3.198 1.00 0.00 C ATOM 0 H PHE A 78 -11.061 -0.249 -4.584 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.095 1.258 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.015 1.687 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.654 3.055 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.913 0.565 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.039 4.692 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.606 1.252 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.733 5.378 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.016 3.659 -2.939 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.016 1.307 -3.845 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.415 1.643 -3.676 1.00 0.00 C ATOM 1054 C ASP A 79 -15.946 1.009 -2.398 1.00 0.00 C ATOM 1055 O ASP A 79 -16.999 1.401 -1.900 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.204 1.157 -4.889 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.365 2.092 -5.192 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.132 3.061 -5.947 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.465 1.821 -4.663 1.00 0.00 O ATOM 0 H ASP A 79 -13.804 0.817 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.527 2.724 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.545 1.096 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.581 0.151 -4.703 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.215 0.026 -1.867 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.620 -0.652 -0.652 1.00 0.00 C ATOM 1066 C GLY A 80 -16.414 -1.906 -0.988 1.00 0.00 C ATOM 1067 O GLY A 80 -17.260 -2.337 -0.207 1.00 0.00 O ATOM 0 H GLY A 80 -14.340 -0.312 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.741 -0.916 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.224 0.016 -0.039 1.00 0.00 H new ATOM 1071 N THR A 81 -16.140 -2.494 -2.155 1.00 0.00 N ATOM 1072 CA THR A 81 -16.831 -3.693 -2.584 1.00 0.00 C ATOM 1073 C THR A 81 -15.900 -4.893 -2.479 1.00 0.00 C ATOM 1074 O THR A 81 -14.844 -4.920 -3.107 1.00 0.00 O ATOM 1075 CB THR A 81 -17.319 -3.512 -4.019 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.566 -2.853 -4.011 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.470 -4.879 -4.681 1.00 0.00 C ATOM 0 H THR A 81 -15.442 -2.152 -2.815 1.00 0.00 H new ATOM 0 HA THR A 81 -17.692 -3.870 -1.940 1.00 0.00 H new ATOM 0 HB THR A 81 -16.596 -2.916 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.879 -2.735 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.818 -4.750 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.507 -5.389 -4.687 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.193 -5.475 -4.124 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.296 -5.887 -1.682 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.499 -7.083 -1.497 1.00 0.00 C ATOM 1087 C ARG A 82 -15.389 -7.839 -2.813 1.00 0.00 C ATOM 1088 O ARG A 82 -16.235 -8.675 -3.123 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.138 -7.958 -0.423 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.572 -8.292 -0.825 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.445 -8.372 0.424 1.00 0.00 C ATOM 1092 NE ARG A 82 -18.798 -9.759 0.730 1.00 0.00 N ATOM 1093 CZ ARG A 82 -19.854 -10.376 0.183 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.637 -9.722 -0.685 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -20.126 -11.649 0.503 1.00 0.00 N ATOM 0 H ARG A 82 -17.170 -5.879 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.495 -6.809 -1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.562 -8.875 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.129 -7.440 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.958 -7.531 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.599 -9.240 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.917 -7.933 1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.352 -7.786 0.276 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.216 -10.278 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.429 -8.754 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.441 -10.192 -1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.529 -12.148 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.930 -12.119 0.087 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.344 -7.543 -3.589 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.133 -8.199 -4.864 1.00 0.00 C ATOM 1111 C TRP A 83 -13.918 -9.691 -4.651 1.00 0.00 C ATOM 1112 O TRP A 83 -14.662 -10.510 -5.184 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.930 -7.574 -5.564 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.857 -7.825 -7.036 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.640 -9.027 -7.613 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.995 -6.874 -8.135 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.635 -8.886 -8.985 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.849 -7.576 -9.362 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.229 -5.490 -8.222 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.931 -6.943 -10.605 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.312 -4.844 -9.464 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.164 -5.565 -10.655 1.00 0.00 C ATOM 0 H TRP A 83 -13.634 -6.851 -3.349 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.013 -8.067 -5.493 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.948 -6.497 -5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.020 -7.954 -5.100 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.493 -9.956 -7.082 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.491 -9.655 -9.640 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.347 -4.914 -7.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.816 -7.511 -11.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.492 -3.780 -9.502 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.229 -5.060 -11.607 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.896 -10.042 -3.867 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.592 -11.432 -3.590 1.00 0.00 C ATOM 1135 C GLY A 84 -11.145 -11.576 -3.140 1.00 0.00 C ATOM 1136 O GLY A 84 -10.337 -10.672 -3.339 1.00 0.00 O ATOM 0 H GLY A 84 -12.269 -9.376 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.260 -11.810 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.764 -12.034 -4.482 1.00 0.00 H new ATOM 1140 N THR A 85 -10.819 -12.718 -2.531 1.00 0.00 N ATOM 1141 CA THR A 85 -9.473 -12.971 -2.058 1.00 0.00 C ATOM 1142 C THR A 85 -8.487 -12.856 -3.212 1.00 0.00 C ATOM 1143 O THR A 85 -8.402 -13.750 -4.051 1.00 0.00 O ATOM 1144 CB THR A 85 -9.408 -14.360 -1.429 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.675 -14.701 -0.912 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.382 -14.360 -0.299 1.00 0.00 C ATOM 0 H THR A 85 -11.476 -13.478 -2.358 1.00 0.00 H new ATOM 0 HA THR A 85 -9.205 -12.231 -1.304 1.00 0.00 H new ATOM 0 HB THR A 85 -9.115 -15.088 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.635 -15.594 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.336 -15.352 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.402 -14.096 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.674 -13.632 0.458 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.741 -11.750 -3.253 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.767 -11.522 -4.301 1.00 0.00 C ATOM 1156 C VAL A 86 -5.500 -12.313 -4.006 1.00 0.00 C ATOM 1157 O VAL A 86 -5.185 -12.575 -2.848 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.463 -10.030 -4.397 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.773 -9.568 -3.117 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.547 -9.773 -5.590 1.00 0.00 C ATOM 0 H VAL A 86 -7.800 -11.000 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.169 -11.859 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.393 -9.477 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.556 -8.502 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.427 -9.751 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.843 -10.120 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.330 -8.707 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.616 -10.325 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.040 -10.103 -6.505 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.773 -12.693 -5.060 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.547 -13.451 -4.909 1.00 0.00 C ATOM 1172 C ASP A 87 -2.349 -12.550 -5.169 1.00 0.00 C ATOM 1173 O ASP A 87 -1.947 -12.364 -6.315 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.557 -14.631 -5.877 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.012 -15.904 -5.178 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.826 -15.972 -3.944 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.538 -16.786 -5.891 1.00 0.00 O ATOM 0 H ASP A 87 -5.021 -12.483 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.474 -13.834 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.221 -14.414 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.559 -14.775 -6.291 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.778 -11.989 -4.100 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.632 -11.111 -4.217 1.00 0.00 C ATOM 1184 C CYS A 88 0.483 -11.819 -4.975 1.00 0.00 C ATOM 1185 O CYS A 88 1.363 -11.170 -5.537 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.163 -10.699 -2.825 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.304 -8.925 -2.496 1.00 0.00 S ATOM 0 H CYS A 88 -2.100 -12.134 -3.143 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.910 -10.215 -4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.744 -11.243 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.877 -11.000 -2.699 1.00 0.00 H new ATOM 1192 N THR A 89 0.445 -13.153 -4.988 1.00 0.00 N ATOM 1193 CA THR A 89 1.451 -13.936 -5.677 1.00 0.00 C ATOM 1194 C THR A 89 1.034 -14.161 -7.123 1.00 0.00 C ATOM 1195 O THR A 89 1.732 -14.836 -7.876 1.00 0.00 O ATOM 1196 CB THR A 89 1.640 -15.268 -4.956 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.398 -15.928 -4.858 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.193 -15.015 -3.556 1.00 0.00 C ATOM 0 H THR A 89 -0.276 -13.707 -4.526 1.00 0.00 H new ATOM 0 HA THR A 89 2.399 -13.397 -5.674 1.00 0.00 H new ATOM 0 HB THR A 89 2.339 -15.889 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.518 -16.784 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.328 -15.966 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.153 -14.503 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.494 -14.395 -2.995 1.00 0.00 H new ATOM 1206 N THR A 90 -0.109 -13.591 -7.511 1.00 0.00 N ATOM 1207 CA THR A 90 -0.609 -13.733 -8.864 1.00 0.00 C ATOM 1208 C THR A 90 -0.504 -12.404 -9.598 1.00 0.00 C ATOM 1209 O THR A 90 -0.428 -12.373 -10.824 1.00 0.00 O ATOM 1210 CB THR A 90 -2.057 -14.214 -8.822 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.086 -15.590 -8.518 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.711 -13.979 -10.181 1.00 0.00 C ATOM 0 H THR A 90 -0.700 -13.028 -6.900 1.00 0.00 H new ATOM 0 HA THR A 90 -0.010 -14.468 -9.401 1.00 0.00 H new ATOM 0 HB THR A 90 -2.602 -13.661 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.016 -15.899 -8.489 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.745 -14.322 -10.151 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.689 -12.915 -10.416 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.167 -14.532 -10.947 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.500 -11.303 -8.842 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.405 -9.978 -9.422 1.00 0.00 C ATOM 1222 C ALA A 91 0.546 -9.122 -8.598 1.00 0.00 C ATOM 1223 O ALA A 91 1.026 -9.554 -7.552 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.793 -9.347 -9.476 1.00 0.00 C ATOM 0 H ALA A 91 -0.562 -11.313 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.013 -10.047 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.723 -8.350 -9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.450 -9.965 -10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.199 -9.274 -8.467 1.00 0.00 H new ATOM 1230 N ALA A 92 0.817 -7.903 -9.071 1.00 0.00 N ATOM 1231 CA ALA A 92 1.708 -6.995 -8.378 1.00 0.00 C ATOM 1232 C ALA A 92 0.919 -6.162 -7.378 1.00 0.00 C ATOM 1233 O ALA A 92 -0.078 -5.539 -7.735 1.00 0.00 O ATOM 1234 CB ALA A 92 2.409 -6.098 -9.394 1.00 0.00 C ATOM 0 H ALA A 92 0.426 -7.529 -9.936 1.00 0.00 H new ATOM 0 HA ALA A 92 2.462 -7.563 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.080 -5.414 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.983 -6.713 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.665 -5.525 -9.948 1.00 0.00 H new ATOM 1240 N CYS A 93 1.368 -6.154 -6.120 1.00 0.00 N ATOM 1241 CA CYS A 93 0.704 -5.400 -5.076 1.00 0.00 C ATOM 1242 C CYS A 93 1.506 -4.146 -4.757 1.00 0.00 C ATOM 1243 O CYS A 93 2.673 -4.043 -5.127 1.00 0.00 O ATOM 1244 CB CYS A 93 0.554 -6.276 -3.835 1.00 0.00 C ATOM 1245 SG CYS A 93 0.687 -8.050 -4.167 1.00 0.00 S ATOM 0 H CYS A 93 2.193 -6.666 -5.808 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.287 -5.098 -5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.317 -5.994 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.413 -6.074 -3.375 1.00 0.00 H new ATOM 1250 N GLN A 94 0.875 -3.191 -4.070 1.00 0.00 N ATOM 1251 CA GLN A 94 1.532 -1.951 -3.708 1.00 0.00 C ATOM 1252 C GLN A 94 0.925 -1.400 -2.425 1.00 0.00 C ATOM 1253 O GLN A 94 -0.283 -1.496 -2.216 1.00 0.00 O ATOM 1254 CB GLN A 94 1.386 -0.948 -4.849 1.00 0.00 C ATOM 1255 CG GLN A 94 0.458 0.184 -4.417 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.021 0.982 -5.621 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.224 2.183 -5.709 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.708 0.311 -6.548 1.00 0.00 N ATOM 0 H GLN A 94 -0.093 -3.261 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 94 2.592 -2.134 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.362 -0.548 -5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.985 -1.443 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.399 -0.227 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.980 0.843 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.885 -0.686 -6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.055 0.796 -7.376 1.00 0.00 H new ATOM 1267 N VAL A 95 1.767 -0.822 -1.565 1.00 0.00 N ATOM 1268 CA VAL A 95 1.311 -0.260 -0.310 1.00 0.00 C ATOM 1269 C VAL A 95 1.125 1.244 -0.457 1.00 0.00 C ATOM 1270 O VAL A 95 1.612 1.841 -1.414 1.00 0.00 O ATOM 1271 CB VAL A 95 2.325 -0.575 0.786 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.102 0.361 1.971 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.150 -2.021 1.240 1.00 0.00 C ATOM 0 H VAL A 95 2.771 -0.735 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 95 0.352 -0.700 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 95 3.334 -0.435 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.826 0.136 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.227 1.394 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.093 0.222 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.874 -2.247 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.141 -2.161 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.310 -2.690 0.394 1.00 0.00 H new ATOM 1283 N GLY A 96 0.417 1.856 0.495 1.00 0.00 N ATOM 1284 CA GLY A 96 0.173 3.285 0.462 1.00 0.00 C ATOM 1285 C GLY A 96 -0.601 3.717 1.700 1.00 0.00 C ATOM 1286 O GLY A 96 -1.181 2.885 2.394 1.00 0.00 O ATOM 0 H GLY A 96 0.006 1.377 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.120 3.822 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.389 3.544 -0.435 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.609 5.023 1.974 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.310 5.559 3.124 1.00 0.00 C ATOM 1292 C LEU A 97 -2.239 6.683 2.685 1.00 0.00 C ATOM 1293 O LEU A 97 -1.830 7.578 1.949 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.297 6.065 4.146 1.00 0.00 C ATOM 1295 CG LEU A 97 0.547 7.172 3.522 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.660 8.338 4.499 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.940 6.633 3.208 1.00 0.00 C ATOM 0 H LEU A 97 -0.133 5.725 1.407 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.912 4.776 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.813 6.441 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.343 5.247 4.475 1.00 0.00 H new ATOM 0 HG LEU A 97 0.074 7.515 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.263 9.129 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.335 8.723 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.133 7.997 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.544 7.423 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.413 6.290 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.859 5.800 2.509 1.00 0.00 H new ATOM 1309 N SER A 98 -3.493 6.634 3.139 1.00 0.00 N ATOM 1310 CA SER A 98 -4.471 7.646 2.793 1.00 0.00 C ATOM 1311 C SER A 98 -4.836 8.456 4.029 1.00 0.00 C ATOM 1312 O SER A 98 -4.960 7.905 5.121 1.00 0.00 O ATOM 1313 CB SER A 98 -5.707 6.977 2.200 1.00 0.00 C ATOM 1314 OG SER A 98 -5.401 6.479 0.916 1.00 0.00 O ATOM 0 H SER A 98 -3.848 5.898 3.749 1.00 0.00 H new ATOM 0 HA SER A 98 -4.050 8.324 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.040 6.165 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.527 7.693 2.138 1.00 0.00 H new ATOM 0 HG SER A 98 -6.194 6.047 0.535 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.011 9.768 3.855 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.361 10.645 4.954 1.00 0.00 C ATOM 1322 C ASP A 99 -6.832 11.023 4.862 1.00 0.00 C ATOM 1323 O ASP A 99 -7.596 10.382 4.143 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.479 11.889 4.912 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.141 12.998 4.107 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.314 12.788 2.887 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.463 14.035 4.727 1.00 0.00 O ATOM 0 H ASP A 99 -4.914 10.240 2.956 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.196 10.132 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.286 12.237 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.514 11.640 4.471 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.229 12.067 5.594 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.604 12.523 5.592 1.00 0.00 C ATOM 1334 C ALA A 100 -8.973 13.043 4.210 1.00 0.00 C ATOM 1335 O ALA A 100 -10.008 12.671 3.661 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.779 13.613 6.645 1.00 0.00 C ATOM 0 H ALA A 100 -6.608 12.608 6.195 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.267 11.693 5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.813 13.957 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.530 13.213 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.118 14.449 6.416 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.124 13.907 3.649 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.364 14.474 2.338 1.00 0.00 C ATOM 1344 C ALA A 101 -8.268 13.384 1.280 1.00 0.00 C ATOM 1345 O ALA A 101 -8.846 13.510 0.202 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.349 15.580 2.069 1.00 0.00 C ATOM 0 H ALA A 101 -7.262 14.225 4.092 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.366 14.902 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.529 16.007 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.450 16.358 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.341 15.166 2.107 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.536 12.311 1.588 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.371 11.210 0.660 1.00 0.00 C ATOM 1354 C GLY A 102 -6.117 11.410 -0.178 1.00 0.00 C ATOM 1355 O GLY A 102 -6.174 11.369 -1.405 1.00 0.00 O ATOM 0 H GLY A 102 -7.051 12.189 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.304 10.270 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.243 11.139 0.010 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.980 11.627 0.487 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.721 11.832 -0.199 1.00 0.00 C ATOM 1361 C ASN A 103 -2.645 10.947 0.414 1.00 0.00 C ATOM 1362 O ASN A 103 -2.899 10.241 1.388 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.326 13.303 -0.108 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.354 13.535 1.040 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.765 13.170 2.257 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -1.251 14.035 0.830 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.915 11.664 1.504 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.829 11.561 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.869 13.620 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.217 13.915 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.982 14.298 -0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.604 14.187 1.604 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.440 10.985 -0.158 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.336 10.186 0.338 1.00 0.00 C ATOM 1375 C GLY A 104 0.921 10.462 -0.474 1.00 0.00 C ATOM 1376 O GLY A 104 0.877 11.187 -1.466 1.00 0.00 O ATOM 0 H GLY A 104 -1.211 11.564 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.156 10.414 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.589 9.127 0.280 1.00 0.00 H new ATOM 1380 N PRO A 105 2.046 9.881 -0.050 1.00 0.00 N ATOM 1381 CA PRO A 105 3.333 10.028 -0.695 1.00 0.00 C ATOM 1382 C PRO A 105 3.341 9.250 -2.003 1.00 0.00 C ATOM 1383 O PRO A 105 2.417 8.487 -2.279 1.00 0.00 O ATOM 1384 CB PRO A 105 4.336 9.442 0.296 1.00 0.00 C ATOM 1385 CG PRO A 105 3.514 8.376 1.020 1.00 0.00 C ATOM 1386 CD PRO A 105 2.134 9.023 1.112 1.00 0.00 C ATOM 0 HA PRO A 105 3.569 11.064 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.200 9.012 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.713 10.198 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.486 7.439 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.922 8.150 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.344 8.272 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.026 9.594 2.034 1.00 0.00 H new ATOM 1394 N GLU A 106 4.386 9.445 -2.810 1.00 0.00 N ATOM 1395 CA GLU A 106 4.504 8.761 -4.082 1.00 0.00 C ATOM 1396 C GLU A 106 4.068 7.310 -3.935 1.00 0.00 C ATOM 1397 O GLU A 106 4.566 6.594 -3.069 1.00 0.00 O ATOM 1398 CB GLU A 106 5.947 8.845 -4.571 1.00 0.00 C ATOM 1399 CG GLU A 106 6.849 8.046 -3.634 1.00 0.00 C ATOM 1400 CD GLU A 106 8.309 8.427 -3.829 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.655 9.565 -3.443 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.052 7.575 -4.361 1.00 0.00 O ATOM 0 H GLU A 106 5.160 10.074 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 106 3.855 9.239 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.022 8.454 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.271 9.885 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.557 8.227 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.719 6.980 -3.820 1.00 0.00 H new ATOM 1409 N GLY A 107 3.134 6.876 -4.785 1.00 0.00 N ATOM 1410 CA GLY A 107 2.640 5.514 -4.741 1.00 0.00 C ATOM 1411 C GLY A 107 3.783 4.547 -4.466 1.00 0.00 C ATOM 1412 O GLY A 107 4.948 4.886 -4.661 1.00 0.00 O ATOM 0 H GLY A 107 2.710 7.455 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.880 5.420 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.161 5.263 -5.688 1.00 0.00 H new ATOM 1416 N VAL A 108 3.446 3.337 -4.011 1.00 0.00 N ATOM 1417 CA VAL A 108 4.442 2.328 -3.711 1.00 0.00 C ATOM 1418 C VAL A 108 4.191 1.090 -4.559 1.00 0.00 C ATOM 1419 O VAL A 108 3.289 0.308 -4.268 1.00 0.00 O ATOM 1420 CB VAL A 108 4.386 1.986 -2.225 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.955 0.588 -2.002 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.210 3.002 -1.438 1.00 0.00 C ATOM 0 H VAL A 108 2.484 3.040 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 108 5.436 2.710 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 108 3.351 2.015 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.915 0.344 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.367 -0.138 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.990 0.558 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.170 2.758 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.245 2.973 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.804 4.001 -1.596 1.00 0.00 H new ATOM 1432 N ALA A 109 4.994 0.913 -5.612 1.00 0.00 N ATOM 1433 CA ALA A 109 4.855 -0.226 -6.496 1.00 0.00 C ATOM 1434 C ALA A 109 5.594 -1.423 -5.914 1.00 0.00 C ATOM 1435 O ALA A 109 6.733 -1.296 -5.470 1.00 0.00 O ATOM 1436 CB ALA A 109 5.404 0.131 -7.874 1.00 0.00 C ATOM 0 H ALA A 109 5.747 1.552 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 109 3.802 -0.488 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.300 -0.725 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.848 0.976 -8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.457 0.398 -7.788 1.00 0.00 H new ATOM 1442 N ILE A 110 4.942 -2.588 -5.916 1.00 0.00 N ATOM 1443 CA ILE A 110 5.537 -3.801 -5.392 1.00 0.00 C ATOM 1444 C ILE A 110 5.244 -4.965 -6.327 1.00 0.00 C ATOM 1445 O ILE A 110 4.752 -4.764 -7.435 1.00 0.00 O ATOM 1446 CB ILE A 110 4.985 -4.075 -3.996 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.463 -4.169 -4.059 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.386 -2.939 -3.058 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.938 -4.796 -2.771 1.00 0.00 C ATOM 0 H ILE A 110 3.996 -2.708 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 110 6.618 -3.681 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 110 5.392 -5.015 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.032 -3.177 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.160 -4.768 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.992 -3.134 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.473 -2.872 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.980 -1.999 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.851 -4.863 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.359 -5.795 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.229 -4.179 -1.921 1.00 0.00 H new ATOM 1461 N SER A 111 5.547 -6.185 -5.879 1.00 0.00 N ATOM 1462 CA SER A 111 5.313 -7.372 -6.677 1.00 0.00 C ATOM 1463 C SER A 111 5.716 -8.611 -5.890 1.00 0.00 C ATOM 1464 O SER A 111 6.501 -8.524 -4.948 1.00 0.00 O ATOM 1465 CB SER A 111 6.108 -7.275 -7.976 1.00 0.00 C ATOM 1466 OG SER A 111 5.264 -6.816 -9.009 1.00 0.00 O ATOM 0 H SER A 111 5.956 -6.369 -4.963 1.00 0.00 H new ATOM 0 HA SER A 111 4.253 -7.449 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.950 -6.594 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.522 -8.249 -8.236 1.00 0.00 H new ATOM 0 HG SER A 111 5.079 -5.862 -8.881 1.00 0.00 H new ATOM 1472 N PHE A 112 5.176 -9.769 -6.279 1.00 0.00 N ATOM 1473 CA PHE A 112 5.483 -11.017 -5.610 1.00 0.00 C ATOM 1474 C PHE A 112 6.297 -11.912 -6.533 1.00 0.00 C ATOM 1475 O PHE A 112 5.832 -12.284 -7.609 1.00 0.00 O ATOM 1476 CB PHE A 112 4.184 -11.703 -5.196 1.00 0.00 C ATOM 1477 CG PHE A 112 3.444 -10.980 -4.096 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.080 -9.639 -4.262 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.125 -11.651 -2.909 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.396 -8.968 -3.241 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.441 -10.980 -1.888 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.076 -9.638 -2.054 1.00 0.00 C ATOM 0 H PHE A 112 4.523 -9.859 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 112 6.075 -10.819 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.533 -11.787 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.407 -12.718 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.327 -9.122 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.406 -12.686 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.115 -7.933 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.195 -11.497 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.548 -9.120 -1.267 1.00 0.00 H new ATOM 1492 N ASN A 113 7.515 -12.258 -6.112 1.00 0.00 N ATOM 1493 CA ASN A 113 8.384 -13.107 -6.902 1.00 0.00 C ATOM 1494 C ASN A 113 8.360 -12.661 -8.357 1.00 0.00 C ATOM 1495 O ASN A 113 9.271 -11.975 -8.814 1.00 0.00 O ATOM 1496 CB ASN A 113 7.929 -14.558 -6.774 1.00 0.00 C ATOM 1497 CG ASN A 113 6.613 -14.781 -7.506 1.00 0.00 C ATOM 1498 OD1 ASN A 113 5.497 -14.643 -6.787 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 6.607 -15.075 -8.699 1.00 0.00 N flip ATOM 0 H ASN A 113 7.916 -11.958 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 113 9.407 -13.026 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.693 -15.220 -7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.812 -14.815 -5.721 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.487 -15.169 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.722 -15.225 -9.183 1.00 0.00 H new