USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1057 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 42 MET CE :methyl -125:sc= -1.9 (180deg=-8.55!) USER MOD Set 1.2: A 49 TYR OH : rot 70:sc= -0.938 USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.225 F(o=-1.8,f=-0.23) USER MOD Single : A 6 GLN :FLIP amide:sc= -1.16 F(o=-3!,f=-1.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc=-5.41e-05 USER MOD Single : A 17 GLN :FLIP amide:sc= -3.84 F(o=-5.5!,f=-3.8) USER MOD Single : A 24 THR OG1 : rot 157:sc= 1.23 USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00426 USER MOD Single : A 31 MET CE :methyl 163:sc= -0.109 (180deg=-0.803) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.137 (180deg=-0.6) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.603 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.272 F(o=-1.2!,f=-0.27) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-5.9!) USER MOD Single : A 56 TYR OH : rot -51:sc= 0.362 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 110:sc= -2.95! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -177:sc= -2.4 (180deg=-2.45) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.896 F(o=-2!,f=-0.9) USER MOD Single : A 81 ASN : amide:sc= -5.33! C(o=-5.3!,f=-8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.085 F(o=-2.4,f=-0.085) USER MOD Single : A 111 THR OG1 : rot 103:sc= 0.171 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.053) USER MOD Single : A 131 HIS : no HD1:sc= -1.23! X(o=-1.2!,f=-1.1) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.560 0.979 22.338 1.00 0.00 N ATOM 2 CA MET A 1 -8.574 1.467 20.935 1.00 0.00 C ATOM 3 C MET A 1 -8.240 2.954 20.872 1.00 0.00 C ATOM 4 O MET A 1 -7.159 3.338 20.425 1.00 0.00 O ATOM 5 CB MET A 1 -9.946 1.215 20.303 1.00 0.00 C ATOM 6 CG MET A 1 -10.074 1.759 18.889 1.00 0.00 C ATOM 7 SD MET A 1 -8.859 1.056 17.758 1.00 0.00 S ATOM 8 CE MET A 1 -9.238 1.953 16.255 1.00 0.00 C ATOM 0 H1 MET A 1 -8.790 -0.035 22.355 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.616 1.127 22.748 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.265 1.503 22.895 1.00 0.00 H new ATOM 0 HA MET A 1 -7.815 0.919 20.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.139 0.142 20.289 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.714 1.669 20.929 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.076 1.551 18.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.960 2.843 18.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.568 1.628 15.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.270 1.756 15.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.107 3.021 16.426 1.00 0.00 H new ATOM 20 N ASN A 2 -9.174 3.786 21.322 1.00 0.00 N ATOM 21 CA ASN A 2 -8.979 5.231 21.315 1.00 0.00 C ATOM 22 C ASN A 2 -8.372 5.703 22.633 1.00 0.00 C ATOM 23 O ASN A 2 -7.977 6.862 22.766 1.00 0.00 O ATOM 24 CB ASN A 2 -10.307 5.946 21.066 1.00 0.00 C ATOM 25 CG ASN A 2 -10.936 5.559 19.740 1.00 0.00 C ATOM 26 OD1 ASN A 2 -10.102 5.251 18.754 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -12.159 5.538 19.604 1.00 0.00 N flip ATOM 0 H ASN A 2 -10.074 3.484 21.696 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.288 5.476 20.508 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.999 5.712 21.875 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.145 7.024 21.087 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -12.764 5.782 20.388 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -12.568 5.276 18.707 1.00 0.00 H new ATOM 34 N THR A 3 -8.301 4.798 23.603 1.00 0.00 N ATOM 35 CA THR A 3 -7.741 5.119 24.910 1.00 0.00 C ATOM 36 C THR A 3 -6.219 5.186 24.853 1.00 0.00 C ATOM 37 O THR A 3 -5.565 5.519 25.842 1.00 0.00 O ATOM 38 CB THR A 3 -8.159 4.085 25.972 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.687 2.784 25.601 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.672 4.054 26.130 1.00 0.00 C ATOM 0 H THR A 3 -8.625 3.835 23.508 1.00 0.00 H new ATOM 0 HA THR A 3 -8.136 6.095 25.191 1.00 0.00 H new ATOM 0 HB THR A 3 -7.715 4.375 26.924 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.955 2.132 26.282 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.944 3.317 26.885 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.026 5.038 26.439 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.132 3.786 25.179 1.00 0.00 H new ATOM 48 N GLU A 4 -5.662 4.866 23.690 1.00 0.00 N ATOM 49 CA GLU A 4 -4.216 4.889 23.502 1.00 0.00 C ATOM 50 C GLU A 4 -3.852 5.503 22.154 1.00 0.00 C ATOM 51 O GLU A 4 -4.719 5.730 21.309 1.00 0.00 O ATOM 52 CB GLU A 4 -3.645 3.473 23.602 1.00 0.00 C ATOM 53 CG GLU A 4 -4.245 2.502 22.598 1.00 0.00 C ATOM 54 CD GLU A 4 -3.659 1.109 22.712 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.201 0.299 23.494 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.659 0.827 22.020 1.00 0.00 O ATOM 0 H GLU A 4 -6.190 4.588 22.863 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.782 5.505 24.290 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.566 3.514 23.454 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.815 3.092 24.609 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.324 2.452 22.747 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.080 2.880 21.589 1.00 0.00 H new ATOM 63 N GLU A 5 -2.565 5.769 21.960 1.00 0.00 N ATOM 64 CA GLU A 5 -2.083 6.357 20.714 1.00 0.00 C ATOM 65 C GLU A 5 -0.849 5.616 20.209 1.00 0.00 C ATOM 66 O GLU A 5 0.203 5.637 20.847 1.00 0.00 O ATOM 67 CB GLU A 5 -1.757 7.838 20.922 1.00 0.00 C ATOM 68 CG GLU A 5 -1.287 8.542 19.659 1.00 0.00 C ATOM 69 CD GLU A 5 -0.999 10.013 19.884 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.155 10.347 20.230 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.926 10.833 19.717 1.00 0.00 O ATOM 0 H GLU A 5 -1.836 5.587 22.650 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.870 6.267 19.965 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.643 8.346 21.303 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.985 7.927 21.686 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.387 8.052 19.288 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.048 8.439 18.885 1.00 0.00 H new ATOM 78 N GLN A 6 -0.986 4.963 19.059 1.00 0.00 N ATOM 79 CA GLN A 6 0.118 4.214 18.471 1.00 0.00 C ATOM 80 C GLN A 6 1.254 5.151 18.063 1.00 0.00 C ATOM 81 O GLN A 6 1.024 6.324 17.769 1.00 0.00 O ATOM 82 CB GLN A 6 -0.363 3.414 17.260 1.00 0.00 C ATOM 83 CG GLN A 6 -0.668 4.274 16.046 1.00 0.00 C ATOM 84 CD GLN A 6 -1.077 3.455 14.841 1.00 0.00 C ATOM 85 OE1 GLN A 6 -0.699 3.923 13.659 1.00 0.00 O flip ATOM 86 NE2 GLN A 6 -1.713 2.409 14.971 1.00 0.00 N flip ATOM 0 H GLN A 6 -1.850 4.938 18.517 1.00 0.00 H new ATOM 0 HA GLN A 6 0.495 3.521 19.223 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.398 2.681 16.994 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.259 2.858 17.535 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.466 4.974 16.293 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.211 4.868 15.796 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.982 2.088 15.901 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.971 1.863 14.149 1.00 0.00 H new ATOM 95 N PRO A 7 2.499 4.642 18.042 1.00 0.00 N ATOM 96 CA PRO A 7 3.672 5.440 17.675 1.00 0.00 C ATOM 97 C PRO A 7 3.749 5.753 16.187 1.00 0.00 C ATOM 98 O PRO A 7 3.467 6.872 15.758 1.00 0.00 O ATOM 99 CB PRO A 7 4.846 4.555 18.099 1.00 0.00 C ATOM 100 CG PRO A 7 4.319 3.163 18.037 1.00 0.00 C ATOM 101 CD PRO A 7 2.858 3.251 18.385 1.00 0.00 C ATOM 0 HA PRO A 7 3.653 6.419 18.155 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.699 4.684 17.433 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.186 4.804 19.104 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.457 2.738 17.043 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.847 2.515 18.737 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.267 2.533 17.816 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.685 3.041 19.441 1.00 0.00 H new ATOM 109 N VAL A 8 4.137 4.754 15.416 1.00 0.00 N ATOM 110 CA VAL A 8 4.285 4.884 13.968 1.00 0.00 C ATOM 111 C VAL A 8 3.113 5.609 13.314 1.00 0.00 C ATOM 112 O VAL A 8 1.956 5.216 13.467 1.00 0.00 O ATOM 113 CB VAL A 8 4.439 3.506 13.299 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.743 3.661 11.817 1.00 0.00 C ATOM 115 CG2 VAL A 8 5.524 2.692 13.989 1.00 0.00 C ATOM 0 H VAL A 8 4.360 3.825 15.772 1.00 0.00 H new ATOM 0 HA VAL A 8 5.186 5.479 13.819 1.00 0.00 H new ATOM 0 HB VAL A 8 3.495 2.970 13.399 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.848 2.676 11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.928 4.199 11.333 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.671 4.219 11.692 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.617 1.722 13.501 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.474 3.223 13.924 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.260 2.547 15.037 1.00 0.00 H new ATOM 125 N THR A 9 3.435 6.670 12.583 1.00 0.00 N ATOM 126 CA THR A 9 2.436 7.457 11.872 1.00 0.00 C ATOM 127 C THR A 9 2.954 7.854 10.495 1.00 0.00 C ATOM 128 O THR A 9 4.126 8.196 10.340 1.00 0.00 O ATOM 129 CB THR A 9 2.052 8.730 12.648 1.00 0.00 C ATOM 130 OG1 THR A 9 3.220 9.521 12.901 1.00 0.00 O ATOM 131 CG2 THR A 9 1.375 8.381 13.964 1.00 0.00 C ATOM 0 H THR A 9 4.391 7.007 12.467 1.00 0.00 H new ATOM 0 HA THR A 9 1.549 6.832 11.771 1.00 0.00 H new ATOM 0 HB THR A 9 1.351 9.301 12.039 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.967 10.330 13.393 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.114 9.297 14.493 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.471 7.806 13.767 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.055 7.789 14.577 1.00 0.00 H new ATOM 139 N ALA A 10 2.079 7.805 9.498 1.00 0.00 N ATOM 140 CA ALA A 10 2.461 8.156 8.137 1.00 0.00 C ATOM 141 C ALA A 10 2.372 9.660 7.907 1.00 0.00 C ATOM 142 O ALA A 10 1.735 10.380 8.674 1.00 0.00 O ATOM 143 CB ALA A 10 1.587 7.415 7.137 1.00 0.00 C ATOM 0 H ALA A 10 1.104 7.527 9.606 1.00 0.00 H new ATOM 0 HA ALA A 10 3.499 7.856 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.883 7.686 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.707 6.340 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.543 7.686 7.295 1.00 0.00 H new ATOM 149 N SER A 11 3.019 10.126 6.842 1.00 0.00 N ATOM 150 CA SER A 11 3.015 11.545 6.504 1.00 0.00 C ATOM 151 C SER A 11 3.140 11.735 4.998 1.00 0.00 C ATOM 152 O SER A 11 3.651 10.865 4.296 1.00 0.00 O ATOM 153 CB SER A 11 4.160 12.266 7.220 1.00 0.00 C ATOM 154 OG SER A 11 4.183 13.643 6.888 1.00 0.00 O ATOM 0 H SER A 11 3.552 9.541 6.199 1.00 0.00 H new ATOM 0 HA SER A 11 2.068 11.974 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.049 12.151 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.110 11.807 6.947 1.00 0.00 H new ATOM 0 HG SER A 11 4.922 14.081 7.359 1.00 0.00 H new ATOM 160 N LEU A 12 2.669 12.873 4.501 1.00 0.00 N ATOM 161 CA LEU A 12 2.734 13.159 3.074 1.00 0.00 C ATOM 162 C LEU A 12 4.078 13.774 2.702 1.00 0.00 C ATOM 163 O LEU A 12 4.590 14.643 3.409 1.00 0.00 O ATOM 164 CB LEU A 12 1.596 14.093 2.664 1.00 0.00 C ATOM 165 CG LEU A 12 1.371 14.211 1.156 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.101 12.841 0.552 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.221 15.162 0.863 1.00 0.00 C ATOM 0 H LEU A 12 2.240 13.609 5.062 1.00 0.00 H new ATOM 0 HA LEU A 12 2.627 12.217 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.674 13.743 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.798 15.086 3.065 1.00 0.00 H new ATOM 0 HG LEU A 12 2.275 14.616 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.943 12.942 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.955 12.189 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.211 12.410 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.074 15.234 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.690 14.786 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.453 16.148 1.265 1.00 0.00 H new ATOM 179 N VAL A 13 4.644 13.318 1.589 1.00 0.00 N ATOM 180 CA VAL A 13 5.930 13.823 1.122 1.00 0.00 C ATOM 181 C VAL A 13 5.743 14.876 0.036 1.00 0.00 C ATOM 182 O VAL A 13 4.925 14.708 -0.868 1.00 0.00 O ATOM 183 CB VAL A 13 6.811 12.686 0.570 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.194 13.208 0.206 1.00 0.00 C ATOM 185 CG2 VAL A 13 6.910 11.548 1.574 1.00 0.00 C ATOM 0 H VAL A 13 4.232 12.599 0.994 1.00 0.00 H new ATOM 0 HA VAL A 13 6.426 14.274 1.982 1.00 0.00 H new ATOM 0 HB VAL A 13 6.344 12.299 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.801 12.390 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.102 13.984 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.671 13.625 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.536 10.755 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.351 11.917 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.914 11.155 1.778 1.00 0.00 H new ATOM 195 N ALA A 14 6.501 15.966 0.141 1.00 0.00 N ATOM 196 CA ALA A 14 6.431 17.054 -0.832 1.00 0.00 C ATOM 197 C ALA A 14 6.330 16.516 -2.257 1.00 0.00 C ATOM 198 O ALA A 14 6.894 15.470 -2.578 1.00 0.00 O ATOM 199 CB ALA A 14 7.638 17.965 -0.693 1.00 0.00 C ATOM 0 H ALA A 14 7.173 16.119 0.893 1.00 0.00 H new ATOM 0 HA ALA A 14 5.529 17.631 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.572 18.771 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.661 18.388 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.549 17.392 -0.866 1.00 0.00 H new ATOM 205 N GLU A 15 5.609 17.242 -3.106 1.00 0.00 N ATOM 206 CA GLU A 15 5.416 16.835 -4.495 1.00 0.00 C ATOM 207 C GLU A 15 6.729 16.809 -5.269 1.00 0.00 C ATOM 208 O GLU A 15 6.852 16.104 -6.272 1.00 0.00 O ATOM 209 CB GLU A 15 4.424 17.773 -5.186 1.00 0.00 C ATOM 210 CG GLU A 15 4.843 19.233 -5.151 1.00 0.00 C ATOM 211 CD GLU A 15 3.847 20.143 -5.844 1.00 0.00 C ATOM 212 OE1 GLU A 15 2.911 20.621 -5.170 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.004 20.378 -7.060 1.00 0.00 O ATOM 0 H GLU A 15 5.148 18.117 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 15 5.016 15.821 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.306 17.462 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.449 17.672 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.958 19.549 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.818 19.339 -5.627 1.00 0.00 H new ATOM 220 N ALA A 16 7.709 17.577 -4.809 1.00 0.00 N ATOM 221 CA ALA A 16 9.005 17.635 -5.476 1.00 0.00 C ATOM 222 C ALA A 16 10.027 16.741 -4.784 1.00 0.00 C ATOM 223 O ALA A 16 11.168 16.627 -5.234 1.00 0.00 O ATOM 224 CB ALA A 16 9.504 19.070 -5.530 1.00 0.00 C ATOM 0 H ALA A 16 7.632 18.166 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 16 8.877 17.266 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.472 19.100 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.791 19.683 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.607 19.458 -4.517 1.00 0.00 H new ATOM 230 N GLN A 17 9.617 16.108 -3.690 1.00 0.00 N ATOM 231 CA GLN A 17 10.498 15.231 -2.937 1.00 0.00 C ATOM 232 C GLN A 17 10.053 13.789 -3.074 1.00 0.00 C ATOM 233 O GLN A 17 10.828 12.860 -2.860 1.00 0.00 O ATOM 234 CB GLN A 17 10.510 15.639 -1.467 1.00 0.00 C ATOM 235 CG GLN A 17 11.467 16.777 -1.184 1.00 0.00 C ATOM 236 CD GLN A 17 10.942 18.126 -1.627 1.00 0.00 C ATOM 237 OE1 GLN A 17 11.159 18.450 -2.895 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 10.351 18.866 -0.841 1.00 0.00 N flip ATOM 0 H GLN A 17 8.675 16.188 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 17 11.507 15.322 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.504 15.933 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.785 14.778 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.676 16.810 -0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.413 16.580 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.208 18.573 0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.004 19.772 -1.156 1.00 0.00 H new ATOM 247 N ARG A 18 8.792 13.620 -3.436 1.00 0.00 N ATOM 248 CA ARG A 18 8.209 12.304 -3.614 1.00 0.00 C ATOM 249 C ARG A 18 8.754 11.640 -4.874 1.00 0.00 C ATOM 250 O ARG A 18 8.650 10.427 -5.047 1.00 0.00 O ATOM 251 CB ARG A 18 6.692 12.439 -3.705 1.00 0.00 C ATOM 252 CG ARG A 18 6.249 13.463 -4.733 1.00 0.00 C ATOM 253 CD ARG A 18 4.741 13.557 -4.806 1.00 0.00 C ATOM 254 NE ARG A 18 4.151 14.034 -3.559 1.00 0.00 N ATOM 255 CZ ARG A 18 2.842 14.053 -3.324 1.00 0.00 C ATOM 256 NH1 ARG A 18 1.993 13.623 -4.247 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.380 14.502 -2.164 1.00 0.00 N ATOM 0 H ARG A 18 8.147 14.390 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 18 8.471 11.678 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.261 11.470 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.298 12.719 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.664 14.438 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.646 13.193 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.461 14.229 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.330 12.577 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 18 4.777 14.371 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.343 13.276 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.990 13.639 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.029 14.833 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.376 14.516 -1.986 1.00 0.00 H new ATOM 271 N LEU A 19 9.345 12.450 -5.745 1.00 0.00 N ATOM 272 CA LEU A 19 9.906 11.955 -6.996 1.00 0.00 C ATOM 273 C LEU A 19 11.253 11.274 -6.767 1.00 0.00 C ATOM 274 O LEU A 19 11.627 10.355 -7.497 1.00 0.00 O ATOM 275 CB LEU A 19 10.062 13.105 -7.993 1.00 0.00 C ATOM 276 CG LEU A 19 10.871 14.303 -7.484 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.355 14.101 -7.750 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.379 15.589 -8.128 1.00 0.00 C ATOM 0 H LEU A 19 9.448 13.455 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 19 9.218 11.215 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.539 12.721 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.070 13.453 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 19 10.727 14.382 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.911 14.963 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.697 13.202 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.521 13.994 -8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.964 16.430 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.491 15.520 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.328 15.741 -7.881 1.00 0.00 H new ATOM 290 N ASP A 20 11.976 11.729 -5.750 1.00 0.00 N ATOM 291 CA ASP A 20 13.282 11.169 -5.427 1.00 0.00 C ATOM 292 C ASP A 20 13.207 10.323 -4.163 1.00 0.00 C ATOM 293 O ASP A 20 14.070 9.482 -3.914 1.00 0.00 O ATOM 294 CB ASP A 20 14.310 12.288 -5.248 1.00 0.00 C ATOM 295 CG ASP A 20 15.699 11.759 -4.950 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.396 11.354 -5.904 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.089 11.749 -3.764 1.00 0.00 O ATOM 0 H ASP A 20 11.679 12.486 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 20 13.594 10.531 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.342 12.895 -6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.992 12.942 -4.436 1.00 0.00 H new ATOM 302 N PHE A 21 12.169 10.555 -3.370 1.00 0.00 N ATOM 303 CA PHE A 21 11.971 9.815 -2.131 1.00 0.00 C ATOM 304 C PHE A 21 11.776 8.334 -2.418 1.00 0.00 C ATOM 305 O PHE A 21 12.067 7.486 -1.577 1.00 0.00 O ATOM 306 CB PHE A 21 10.762 10.359 -1.369 1.00 0.00 C ATOM 307 CG PHE A 21 10.673 9.867 0.048 1.00 0.00 C ATOM 308 CD1 PHE A 21 11.368 10.509 1.060 1.00 0.00 C ATOM 309 CD2 PHE A 21 9.898 8.764 0.366 1.00 0.00 C ATOM 310 CE1 PHE A 21 11.290 10.059 2.365 1.00 0.00 C ATOM 311 CE2 PHE A 21 9.816 8.310 1.668 1.00 0.00 C ATOM 312 CZ PHE A 21 10.513 8.959 2.669 1.00 0.00 C ATOM 0 H PHE A 21 11.450 11.252 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 21 12.862 9.940 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.806 11.448 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.852 10.079 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.977 11.370 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.352 8.253 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.836 10.567 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.208 7.449 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.450 8.606 3.688 1.00 0.00 H new ATOM 322 N LEU A 22 11.277 8.026 -3.610 1.00 0.00 N ATOM 323 CA LEU A 22 11.052 6.642 -3.999 1.00 0.00 C ATOM 324 C LEU A 22 12.376 5.939 -4.306 1.00 0.00 C ATOM 325 O LEU A 22 12.689 4.923 -3.697 1.00 0.00 O ATOM 326 CB LEU A 22 10.109 6.566 -5.204 1.00 0.00 C ATOM 327 CG LEU A 22 9.339 5.252 -5.342 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.667 4.887 -4.028 1.00 0.00 C ATOM 329 CD2 LEU A 22 8.312 5.356 -6.459 1.00 0.00 C ATOM 0 H LEU A 22 11.022 8.713 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 22 10.581 6.127 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.392 7.384 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.691 6.726 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 22 10.045 4.461 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.124 3.949 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.424 4.773 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.971 5.676 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.772 4.413 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.609 6.158 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.818 5.572 -7.400 1.00 0.00 H new ATOM 341 N PRO A 23 13.180 6.465 -5.251 1.00 0.00 N ATOM 342 CA PRO A 23 14.469 5.858 -5.602 1.00 0.00 C ATOM 343 C PRO A 23 15.494 5.970 -4.476 1.00 0.00 C ATOM 344 O PRO A 23 16.475 5.224 -4.438 1.00 0.00 O ATOM 345 CB PRO A 23 14.928 6.665 -6.817 1.00 0.00 C ATOM 346 CG PRO A 23 14.219 7.973 -6.703 1.00 0.00 C ATOM 347 CD PRO A 23 12.901 7.673 -6.052 1.00 0.00 C ATOM 0 HA PRO A 23 14.371 4.789 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.009 6.801 -6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.673 6.157 -7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.797 8.679 -6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.076 8.426 -7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.564 8.500 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.120 7.493 -6.791 1.00 0.00 H new ATOM 355 N THR A 24 15.260 6.904 -3.564 1.00 0.00 N ATOM 356 CA THR A 24 16.166 7.130 -2.442 1.00 0.00 C ATOM 357 C THR A 24 15.770 6.326 -1.202 1.00 0.00 C ATOM 358 O THR A 24 16.627 5.765 -0.518 1.00 0.00 O ATOM 359 CB THR A 24 16.217 8.626 -2.076 1.00 0.00 C ATOM 360 OG1 THR A 24 17.003 9.339 -3.039 1.00 0.00 O ATOM 361 CG2 THR A 24 16.795 8.835 -0.686 1.00 0.00 C ATOM 0 H THR A 24 14.448 7.521 -3.578 1.00 0.00 H new ATOM 0 HA THR A 24 17.150 6.792 -2.767 1.00 0.00 H new ATOM 0 HB THR A 24 15.196 9.009 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.747 10.285 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.818 9.901 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 24 16.175 8.320 0.047 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.808 8.435 -0.649 1.00 0.00 H new ATOM 369 N TYR A 25 14.475 6.271 -0.921 1.00 0.00 N ATOM 370 CA TYR A 25 13.986 5.552 0.252 1.00 0.00 C ATOM 371 C TYR A 25 13.512 4.150 -0.111 1.00 0.00 C ATOM 372 O TYR A 25 13.839 3.180 0.573 1.00 0.00 O ATOM 373 CB TYR A 25 12.857 6.328 0.931 1.00 0.00 C ATOM 374 CG TYR A 25 12.803 6.125 2.428 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.167 5.018 2.976 1.00 0.00 C ATOM 376 CD2 TYR A 25 13.393 7.039 3.292 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.120 4.829 4.344 1.00 0.00 C ATOM 378 CE2 TYR A 25 13.351 6.856 4.661 1.00 0.00 C ATOM 379 CZ TYR A 25 12.714 5.750 5.181 1.00 0.00 C ATOM 380 OH TYR A 25 12.669 5.564 6.544 1.00 0.00 O ATOM 0 H TYR A 25 13.747 6.712 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 25 14.819 5.459 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.979 7.390 0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.905 6.024 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.702 4.294 2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.893 7.907 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.621 3.964 4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.815 7.575 5.320 1.00 0.00 H new ATOM 0 HH TYR A 25 13.135 6.302 6.990 1.00 0.00 H new ATOM 390 N PHE A 26 12.744 4.045 -1.188 1.00 0.00 N ATOM 391 CA PHE A 26 12.234 2.755 -1.631 1.00 0.00 C ATOM 392 C PHE A 26 13.328 1.970 -2.348 1.00 0.00 C ATOM 393 O PHE A 26 13.504 0.778 -2.105 1.00 0.00 O ATOM 394 CB PHE A 26 11.024 2.944 -2.549 1.00 0.00 C ATOM 395 CG PHE A 26 9.970 1.883 -2.390 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.327 1.702 -1.176 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.621 1.070 -3.456 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.355 0.731 -1.028 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.651 0.096 -3.314 1.00 0.00 C ATOM 400 CZ PHE A 26 8.017 -0.074 -2.099 1.00 0.00 C ATOM 0 H PHE A 26 12.462 4.835 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 26 11.917 2.189 -0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.578 3.919 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.363 2.953 -3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.589 2.327 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.113 1.199 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.860 0.602 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.389 -0.532 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.259 -0.835 -1.986 1.00 0.00 H new ATOM 410 N GLY A 27 14.068 2.646 -3.225 1.00 0.00 N ATOM 411 CA GLY A 27 15.141 1.983 -3.947 1.00 0.00 C ATOM 412 C GLY A 27 15.054 2.166 -5.449 1.00 0.00 C ATOM 413 O GLY A 27 13.959 2.246 -6.003 1.00 0.00 O ATOM 0 H GLY A 27 13.945 3.634 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.098 2.368 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.122 0.918 -3.716 1.00 0.00 H new ATOM 417 N PRO A 28 16.208 2.240 -6.139 1.00 0.00 N ATOM 418 CA PRO A 28 16.246 2.400 -7.595 1.00 0.00 C ATOM 419 C PRO A 28 15.735 1.152 -8.300 1.00 0.00 C ATOM 420 O PRO A 28 15.480 1.158 -9.504 1.00 0.00 O ATOM 421 CB PRO A 28 17.731 2.623 -7.896 1.00 0.00 C ATOM 422 CG PRO A 28 18.448 1.988 -6.755 1.00 0.00 C ATOM 423 CD PRO A 28 17.560 2.171 -5.555 1.00 0.00 C ATOM 0 HA PRO A 28 15.613 3.216 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.015 2.168 -8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.965 3.685 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.630 0.931 -6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.420 2.455 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.654 1.341 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.808 3.080 -5.006 1.00 0.00 H new ATOM 431 N ARG A 29 15.593 0.079 -7.531 1.00 0.00 N ATOM 432 CA ARG A 29 15.098 -1.186 -8.051 1.00 0.00 C ATOM 433 C ARG A 29 13.881 -1.625 -7.251 1.00 0.00 C ATOM 434 O ARG A 29 13.607 -2.816 -7.099 1.00 0.00 O ATOM 435 CB ARG A 29 16.182 -2.263 -8.001 1.00 0.00 C ATOM 436 CG ARG A 29 16.294 -3.059 -9.292 1.00 0.00 C ATOM 437 CD ARG A 29 14.934 -3.554 -9.764 1.00 0.00 C ATOM 438 NE ARG A 29 14.459 -4.689 -8.978 1.00 0.00 N ATOM 439 CZ ARG A 29 14.849 -5.942 -9.184 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.723 -6.220 -10.143 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.368 -6.922 -8.430 1.00 0.00 N ATOM 0 H ARG A 29 15.817 0.063 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 29 14.814 -1.046 -9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.142 -1.794 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.970 -2.945 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.744 -2.437 -10.066 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.959 -3.909 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.211 -2.741 -9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.998 -3.842 -10.813 1.00 0.00 H new ATOM 0 HE ARG A 29 13.790 -4.510 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.098 -5.470 -10.725 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.020 -7.183 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.697 -6.714 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.669 -7.883 -8.590 1.00 0.00 H new ATOM 455 N LEU A 30 13.156 -0.636 -6.750 1.00 0.00 N ATOM 456 CA LEU A 30 11.958 -0.878 -5.966 1.00 0.00 C ATOM 457 C LEU A 30 10.871 0.116 -6.351 1.00 0.00 C ATOM 458 O LEU A 30 9.690 -0.215 -6.363 1.00 0.00 O ATOM 459 CB LEU A 30 12.264 -0.776 -4.472 1.00 0.00 C ATOM 460 CG LEU A 30 13.226 -1.837 -3.934 1.00 0.00 C ATOM 461 CD1 LEU A 30 14.671 -1.420 -4.159 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.965 -2.085 -2.461 1.00 0.00 C ATOM 0 H LEU A 30 13.381 0.351 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 30 11.604 -1.887 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.684 0.209 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.327 -0.843 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 30 13.054 -2.765 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.337 -2.190 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.851 -1.292 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.863 -0.479 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.657 -2.842 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.110 -1.159 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.941 -2.433 -2.326 1.00 0.00 H new ATOM 474 N MET A 31 11.288 1.342 -6.644 1.00 0.00 N ATOM 475 CA MET A 31 10.366 2.402 -7.043 1.00 0.00 C ATOM 476 C MET A 31 9.297 1.905 -8.013 1.00 0.00 C ATOM 477 O MET A 31 8.112 2.154 -7.811 1.00 0.00 O ATOM 478 CB MET A 31 11.136 3.566 -7.668 1.00 0.00 C ATOM 479 CG MET A 31 12.307 3.132 -8.539 1.00 0.00 C ATOM 480 SD MET A 31 12.695 4.338 -9.823 1.00 0.00 S ATOM 481 CE MET A 31 14.007 3.492 -10.701 1.00 0.00 C ATOM 0 H MET A 31 12.266 1.629 -6.613 1.00 0.00 H new ATOM 0 HA MET A 31 9.857 2.742 -6.141 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.450 4.162 -8.269 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.507 4.213 -6.873 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.185 2.978 -7.912 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.075 2.173 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.146 3.952 -11.679 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.933 3.566 -10.131 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.742 2.442 -10.828 1.00 0.00 H new ATOM 491 N MET A 32 9.714 1.203 -9.060 1.00 0.00 N ATOM 492 CA MET A 32 8.778 0.687 -10.051 1.00 0.00 C ATOM 493 C MET A 32 8.271 -0.690 -9.642 1.00 0.00 C ATOM 494 O MET A 32 7.095 -1.009 -9.820 1.00 0.00 O ATOM 495 CB MET A 32 9.445 0.616 -11.427 1.00 0.00 C ATOM 496 CG MET A 32 10.690 -0.256 -11.460 1.00 0.00 C ATOM 497 SD MET A 32 11.515 -0.232 -13.063 1.00 0.00 S ATOM 498 CE MET A 32 10.217 -0.862 -14.124 1.00 0.00 C ATOM 0 H MET A 32 10.692 0.979 -9.244 1.00 0.00 H new ATOM 0 HA MET A 32 7.928 1.367 -10.107 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.725 0.233 -12.150 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.710 1.624 -11.745 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.386 0.083 -10.693 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.417 -1.282 -11.212 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.652 -1.223 -15.056 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.703 -1.682 -13.622 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.505 -0.065 -14.340 1.00 0.00 H new ATOM 508 N ARG A 33 9.169 -1.499 -9.092 1.00 0.00 N ATOM 509 CA ARG A 33 8.824 -2.842 -8.647 1.00 0.00 C ATOM 510 C ARG A 33 7.661 -2.814 -7.659 1.00 0.00 C ATOM 511 O ARG A 33 6.850 -3.739 -7.620 1.00 0.00 O ATOM 512 CB ARG A 33 10.038 -3.512 -8.001 1.00 0.00 C ATOM 513 CG ARG A 33 11.192 -3.747 -8.964 1.00 0.00 C ATOM 514 CD ARG A 33 10.845 -4.796 -10.009 1.00 0.00 C ATOM 515 NE ARG A 33 10.547 -6.091 -9.403 1.00 0.00 N ATOM 516 CZ ARG A 33 10.488 -7.230 -10.088 1.00 0.00 C ATOM 517 NH1 ARG A 33 10.709 -7.234 -11.396 1.00 0.00 N ATOM 518 NH2 ARG A 33 10.209 -8.367 -9.463 1.00 0.00 N ATOM 0 H ARG A 33 10.146 -1.246 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 33 8.517 -3.417 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.387 -2.893 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.731 -4.468 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.450 -2.811 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.073 -4.066 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.985 -4.460 -10.589 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.677 -4.904 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 33 10.374 -6.124 -8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.925 -6.362 -11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.663 -8.109 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.040 -8.368 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.164 -9.240 -9.989 1.00 0.00 H new ATOM 532 N GLY A 34 7.583 -1.750 -6.861 1.00 0.00 N ATOM 533 CA GLY A 34 6.519 -1.639 -5.881 1.00 0.00 C ATOM 534 C GLY A 34 5.390 -0.731 -6.326 1.00 0.00 C ATOM 535 O GLY A 34 4.226 -1.007 -6.042 1.00 0.00 O ATOM 0 H GLY A 34 8.236 -0.967 -6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.119 -2.632 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.933 -1.262 -4.946 1.00 0.00 H new ATOM 539 N GLU A 35 5.724 0.350 -7.026 1.00 0.00 N ATOM 540 CA GLU A 35 4.711 1.288 -7.499 1.00 0.00 C ATOM 541 C GLU A 35 3.665 0.562 -8.330 1.00 0.00 C ATOM 542 O GLU A 35 2.463 0.704 -8.102 1.00 0.00 O ATOM 543 CB GLU A 35 5.349 2.401 -8.330 1.00 0.00 C ATOM 544 CG GLU A 35 4.349 3.412 -8.869 1.00 0.00 C ATOM 545 CD GLU A 35 4.983 4.410 -9.817 1.00 0.00 C ATOM 546 OE1 GLU A 35 5.567 5.401 -9.333 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.894 4.199 -11.046 1.00 0.00 O ATOM 0 H GLU A 35 6.681 0.597 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 35 4.230 1.734 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.085 2.922 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.888 1.955 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.547 2.884 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.893 3.947 -8.036 1.00 0.00 H new ATOM 554 N ALA A 36 4.134 -0.218 -9.296 1.00 0.00 N ATOM 555 CA ALA A 36 3.241 -0.976 -10.162 1.00 0.00 C ATOM 556 C ALA A 36 2.547 -2.094 -9.388 1.00 0.00 C ATOM 557 O ALA A 36 1.415 -2.468 -9.689 1.00 0.00 O ATOM 558 CB ALA A 36 4.016 -1.549 -11.339 1.00 0.00 C ATOM 0 H ALA A 36 5.126 -0.342 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 36 2.474 -0.300 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.339 -2.114 -11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.463 -0.736 -11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.802 -2.209 -10.971 1.00 0.00 H new ATOM 564 N LEU A 37 3.243 -2.625 -8.392 1.00 0.00 N ATOM 565 CA LEU A 37 2.716 -3.709 -7.569 1.00 0.00 C ATOM 566 C LEU A 37 1.509 -3.279 -6.730 1.00 0.00 C ATOM 567 O LEU A 37 0.531 -4.018 -6.626 1.00 0.00 O ATOM 568 CB LEU A 37 3.814 -4.249 -6.651 1.00 0.00 C ATOM 569 CG LEU A 37 4.214 -5.706 -6.896 1.00 0.00 C ATOM 570 CD1 LEU A 37 3.048 -6.636 -6.596 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.698 -5.897 -8.326 1.00 0.00 C ATOM 0 H LEU A 37 4.181 -2.321 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 37 2.377 -4.490 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.699 -3.623 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.482 -4.149 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 37 5.034 -5.955 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.350 -7.668 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.750 -6.521 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.207 -6.386 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.977 -6.939 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.900 -5.629 -9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.564 -5.259 -8.505 1.00 0.00 H new ATOM 583 N VAL A 38 1.574 -2.089 -6.137 1.00 0.00 N ATOM 584 CA VAL A 38 0.487 -1.604 -5.287 1.00 0.00 C ATOM 585 C VAL A 38 -0.744 -1.196 -6.093 1.00 0.00 C ATOM 586 O VAL A 38 -1.876 -1.456 -5.681 1.00 0.00 O ATOM 587 CB VAL A 38 0.939 -0.418 -4.410 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.276 -0.722 -3.757 1.00 0.00 C ATOM 589 CG2 VAL A 38 1.014 0.867 -5.218 1.00 0.00 C ATOM 0 H VAL A 38 2.361 -1.446 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 38 0.214 -2.441 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 38 0.195 -0.274 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.581 0.124 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.182 -1.610 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.026 -0.899 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.335 1.684 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.729 0.744 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.031 1.095 -5.631 1.00 0.00 H new ATOM 599 N TYR A 39 -0.529 -0.556 -7.238 1.00 0.00 N ATOM 600 CA TYR A 39 -1.636 -0.112 -8.076 1.00 0.00 C ATOM 601 C TYR A 39 -2.295 -1.295 -8.775 1.00 0.00 C ATOM 602 O TYR A 39 -3.498 -1.282 -9.035 1.00 0.00 O ATOM 603 CB TYR A 39 -1.154 0.926 -9.097 1.00 0.00 C ATOM 604 CG TYR A 39 -1.123 0.432 -10.526 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.050 -0.310 -11.000 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.166 0.708 -11.400 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.015 -0.762 -12.305 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.140 0.259 -12.707 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.063 -0.475 -13.154 1.00 0.00 C ATOM 610 OH TYR A 39 -1.032 -0.924 -14.455 1.00 0.00 O ATOM 0 H TYR A 39 0.397 -0.334 -7.605 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.383 0.358 -7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.803 1.800 -9.042 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.153 1.254 -8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.772 -0.538 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.012 1.283 -11.053 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.828 -1.337 -12.658 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.959 0.482 -13.374 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.846 -0.638 -14.919 1.00 0.00 H new ATOM 620 N ALA A 40 -1.499 -2.316 -9.079 1.00 0.00 N ATOM 621 CA ALA A 40 -2.015 -3.508 -9.737 1.00 0.00 C ATOM 622 C ALA A 40 -3.128 -4.125 -8.904 1.00 0.00 C ATOM 623 O ALA A 40 -4.205 -4.431 -9.412 1.00 0.00 O ATOM 624 CB ALA A 40 -0.898 -4.515 -9.964 1.00 0.00 C ATOM 0 H ALA A 40 -0.499 -2.340 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.422 -3.224 -10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.301 -5.400 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.128 -4.068 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.464 -4.799 -9.005 1.00 0.00 H new ATOM 630 N TRP A 41 -2.856 -4.304 -7.617 1.00 0.00 N ATOM 631 CA TRP A 41 -3.839 -4.874 -6.703 1.00 0.00 C ATOM 632 C TRP A 41 -5.047 -3.955 -6.564 1.00 0.00 C ATOM 633 O TRP A 41 -6.179 -4.419 -6.445 1.00 0.00 O ATOM 634 CB TRP A 41 -3.220 -5.117 -5.326 1.00 0.00 C ATOM 635 CG TRP A 41 -2.266 -6.272 -5.290 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.904 -6.211 -5.216 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.604 -7.663 -5.325 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.376 -7.478 -5.202 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.398 -8.387 -5.268 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.809 -8.367 -5.399 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.364 -9.780 -5.283 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.774 -9.749 -5.413 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.559 -10.442 -5.354 1.00 0.00 C ATOM 0 H TRP A 41 -1.965 -4.063 -7.183 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.166 -5.827 -7.119 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.697 -4.215 -5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.018 -5.294 -4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.327 -5.299 -5.175 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.617 -7.706 -5.151 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.751 -7.841 -5.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.428 -10.317 -5.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.699 -10.303 -5.470 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.565 -11.522 -5.365 1.00 0.00 H new ATOM 654 N MET A 42 -4.797 -2.648 -6.586 1.00 0.00 N ATOM 655 CA MET A 42 -5.858 -1.662 -6.450 1.00 0.00 C ATOM 656 C MET A 42 -6.882 -1.772 -7.579 1.00 0.00 C ATOM 657 O MET A 42 -8.086 -1.812 -7.330 1.00 0.00 O ATOM 658 CB MET A 42 -5.264 -0.254 -6.421 1.00 0.00 C ATOM 659 CG MET A 42 -6.186 0.772 -5.789 1.00 0.00 C ATOM 660 SD MET A 42 -6.659 0.326 -4.108 1.00 0.00 S ATOM 661 CE MET A 42 -7.847 1.612 -3.745 1.00 0.00 C ATOM 0 H MET A 42 -3.865 -2.249 -6.697 1.00 0.00 H new ATOM 0 HA MET A 42 -6.375 -1.860 -5.511 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.323 -0.275 -5.871 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.031 0.056 -7.440 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.692 1.743 -5.779 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.082 0.877 -6.400 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.554 2.130 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.878 2.322 -4.571 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.834 1.168 -3.610 1.00 0.00 H new ATOM 671 N ARG A 43 -6.399 -1.822 -8.817 1.00 0.00 N ATOM 672 CA ARG A 43 -7.284 -1.915 -9.975 1.00 0.00 C ATOM 673 C ARG A 43 -7.982 -3.273 -10.036 1.00 0.00 C ATOM 674 O ARG A 43 -8.899 -3.471 -10.833 1.00 0.00 O ATOM 675 CB ARG A 43 -6.503 -1.657 -11.269 1.00 0.00 C ATOM 676 CG ARG A 43 -5.316 -2.586 -11.476 1.00 0.00 C ATOM 677 CD ARG A 43 -5.736 -3.904 -12.107 1.00 0.00 C ATOM 678 NE ARG A 43 -4.596 -4.783 -12.352 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.617 -5.796 -13.214 1.00 0.00 C ATOM 680 NH1 ARG A 43 -5.715 -6.054 -13.912 1.00 0.00 N ATOM 681 NH2 ARG A 43 -3.539 -6.549 -13.380 1.00 0.00 N ATOM 0 H ARG A 43 -5.405 -1.800 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.052 -1.149 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.181 -1.758 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.148 -0.627 -11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.578 -2.097 -12.112 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.833 -2.779 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.448 -4.408 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.251 -3.708 -13.048 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.735 -4.611 -11.833 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.546 -5.475 -13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.729 -6.831 -14.572 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.692 -6.352 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.556 -7.325 -14.041 1.00 0.00 H new ATOM 695 N ARG A 44 -7.545 -4.202 -9.192 1.00 0.00 N ATOM 696 CA ARG A 44 -8.139 -5.536 -9.154 1.00 0.00 C ATOM 697 C ARG A 44 -9.302 -5.581 -8.168 1.00 0.00 C ATOM 698 O ARG A 44 -10.129 -6.492 -8.207 1.00 0.00 O ATOM 699 CB ARG A 44 -7.087 -6.580 -8.773 1.00 0.00 C ATOM 700 CG ARG A 44 -6.021 -6.784 -9.838 1.00 0.00 C ATOM 701 CD ARG A 44 -4.989 -7.813 -9.407 1.00 0.00 C ATOM 702 NE ARG A 44 -5.579 -9.134 -9.210 1.00 0.00 N ATOM 703 CZ ARG A 44 -4.866 -10.239 -9.011 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.541 -10.181 -8.980 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.478 -11.403 -8.843 1.00 0.00 N ATOM 0 H ARG A 44 -6.785 -4.058 -8.527 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.519 -5.767 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.606 -6.277 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.584 -7.531 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.491 -7.106 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.526 -5.835 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.204 -7.876 -10.161 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.516 -7.486 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.596 -9.214 -9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.066 -9.287 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.997 -11.030 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.497 -11.452 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.930 -12.250 -8.690 1.00 0.00 H new ATOM 719 N LEU A 45 -9.357 -4.590 -7.284 1.00 0.00 N ATOM 720 CA LEU A 45 -10.417 -4.508 -6.288 1.00 0.00 C ATOM 721 C LEU A 45 -11.667 -3.855 -6.870 1.00 0.00 C ATOM 722 O LEU A 45 -12.768 -4.047 -6.363 1.00 0.00 O ATOM 723 CB LEU A 45 -9.955 -3.714 -5.074 1.00 0.00 C ATOM 724 CG LEU A 45 -8.521 -3.991 -4.615 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.135 -3.056 -3.479 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.367 -5.443 -4.189 1.00 0.00 C ATOM 0 H LEU A 45 -8.677 -3.831 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.658 -5.526 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.047 -2.652 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.631 -3.924 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.850 -3.808 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.113 -3.267 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.204 -2.023 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.811 -3.207 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.341 -5.621 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.049 -5.655 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.601 -6.096 -5.030 1.00 0.00 H new ATOM 738 N CYS A 46 -11.488 -3.069 -7.922 1.00 0.00 N ATOM 739 CA CYS A 46 -12.607 -2.395 -8.572 1.00 0.00 C ATOM 740 C CYS A 46 -12.557 -2.590 -10.085 1.00 0.00 C ATOM 741 O CYS A 46 -11.500 -2.458 -10.702 1.00 0.00 O ATOM 742 CB CYS A 46 -12.597 -0.902 -8.243 1.00 0.00 C ATOM 743 SG CYS A 46 -13.959 0.029 -8.983 1.00 0.00 S ATOM 0 H CYS A 46 -10.579 -2.881 -8.345 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.529 -2.837 -8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.634 -0.780 -7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.653 -0.473 -8.580 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.864 1.281 -8.644 1.00 0.00 H new ATOM 749 N GLU A 47 -13.706 -2.905 -10.676 1.00 0.00 N ATOM 750 CA GLU A 47 -13.796 -3.111 -12.118 1.00 0.00 C ATOM 751 C GLU A 47 -13.862 -1.770 -12.836 1.00 0.00 C ATOM 752 O GLU A 47 -13.596 -1.676 -14.034 1.00 0.00 O ATOM 753 CB GLU A 47 -15.029 -3.948 -12.462 1.00 0.00 C ATOM 754 CG GLU A 47 -16.339 -3.276 -12.084 1.00 0.00 C ATOM 755 CD GLU A 47 -17.550 -4.101 -12.474 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.985 -4.938 -11.655 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.063 -3.909 -13.596 1.00 0.00 O ATOM 0 H GLU A 47 -14.588 -3.023 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.906 -3.647 -12.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.031 -4.156 -13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.961 -4.908 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.355 -3.099 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.396 -2.301 -12.568 1.00 0.00 H new ATOM 764 N ARG A 48 -14.220 -0.736 -12.084 1.00 0.00 N ATOM 765 CA ARG A 48 -14.320 0.613 -12.618 1.00 0.00 C ATOM 766 C ARG A 48 -13.237 1.486 -12.003 1.00 0.00 C ATOM 767 O ARG A 48 -13.499 2.600 -11.549 1.00 0.00 O ATOM 768 CB ARG A 48 -15.700 1.196 -12.317 1.00 0.00 C ATOM 769 CG ARG A 48 -16.837 0.227 -12.588 1.00 0.00 C ATOM 770 CD ARG A 48 -18.164 0.778 -12.099 1.00 0.00 C ATOM 771 NE ARG A 48 -18.121 1.132 -10.684 1.00 0.00 N ATOM 772 CZ ARG A 48 -18.896 2.061 -10.131 1.00 0.00 C ATOM 773 NH1 ARG A 48 -19.769 2.728 -10.875 1.00 0.00 N ATOM 774 NH2 ARG A 48 -18.798 2.324 -8.835 1.00 0.00 N ATOM 0 H ARG A 48 -14.448 -0.810 -11.092 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.184 0.582 -13.699 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.736 1.504 -11.272 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.846 2.093 -12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.897 0.025 -13.657 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.632 -0.723 -12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.429 1.658 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.947 0.038 -12.264 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.459 0.639 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.846 2.529 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.363 3.440 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.127 1.814 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.393 3.037 -8.413 1.00 0.00 H new ATOM 788 N TYR A 49 -12.014 0.968 -11.999 1.00 0.00 N ATOM 789 CA TYR A 49 -10.879 1.674 -11.425 1.00 0.00 C ATOM 790 C TYR A 49 -9.878 2.060 -12.508 1.00 0.00 C ATOM 791 O TYR A 49 -9.001 1.272 -12.865 1.00 0.00 O ATOM 792 CB TYR A 49 -10.198 0.795 -10.376 1.00 0.00 C ATOM 793 CG TYR A 49 -9.503 1.576 -9.290 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.357 2.310 -9.558 1.00 0.00 C ATOM 795 CD2 TYR A 49 -9.998 1.579 -7.995 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.722 3.028 -8.565 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.371 2.293 -6.994 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.232 3.017 -7.284 1.00 0.00 C ATOM 799 OH TYR A 49 -7.604 3.731 -6.290 1.00 0.00 O ATOM 0 H TYR A 49 -11.784 0.055 -12.390 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.243 2.586 -10.952 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.944 0.143 -9.922 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.471 0.151 -10.871 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.955 2.320 -10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.889 1.013 -7.766 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.831 3.595 -8.790 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.769 2.285 -5.990 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.725 4.690 -6.450 1.00 0.00 H new ATOM 809 N ASN A 50 -10.018 3.271 -13.031 1.00 0.00 N ATOM 810 CA ASN A 50 -9.129 3.763 -14.076 1.00 0.00 C ATOM 811 C ASN A 50 -7.817 4.280 -13.491 1.00 0.00 C ATOM 812 O ASN A 50 -6.934 4.725 -14.224 1.00 0.00 O ATOM 813 CB ASN A 50 -9.824 4.867 -14.873 1.00 0.00 C ATOM 814 CG ASN A 50 -10.841 5.619 -14.037 1.00 0.00 C ATOM 815 OD1 ASN A 50 -12.047 5.069 -13.947 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -10.545 6.671 -13.472 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.741 3.933 -12.748 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.893 2.932 -14.741 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.078 5.566 -15.251 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.320 4.431 -15.740 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.605 7.056 -13.570 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.239 7.158 -12.905 1.00 0.00 H new ATOM 823 N GLY A 51 -7.694 4.217 -12.168 1.00 0.00 N ATOM 824 CA GLY A 51 -6.481 4.675 -11.516 1.00 0.00 C ATOM 825 C GLY A 51 -6.726 5.820 -10.552 1.00 0.00 C ATOM 826 O GLY A 51 -7.868 6.217 -10.324 1.00 0.00 O ATOM 0 H GLY A 51 -8.411 3.858 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.028 3.843 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.764 4.992 -12.274 1.00 0.00 H new ATOM 830 N ALA A 52 -5.643 6.352 -9.990 1.00 0.00 N ATOM 831 CA ALA A 52 -5.726 7.457 -9.043 1.00 0.00 C ATOM 832 C ALA A 52 -4.335 7.957 -8.669 1.00 0.00 C ATOM 833 O ALA A 52 -3.329 7.373 -9.071 1.00 0.00 O ATOM 834 CB ALA A 52 -6.488 7.032 -7.796 1.00 0.00 C ATOM 0 H ALA A 52 -4.693 6.032 -10.177 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.266 8.274 -9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.541 7.869 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.497 6.726 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.973 6.197 -7.322 1.00 0.00 H new ATOM 840 N TYR A 53 -4.282 9.039 -7.898 1.00 0.00 N ATOM 841 CA TYR A 53 -3.010 9.609 -7.473 1.00 0.00 C ATOM 842 C TYR A 53 -2.530 8.966 -6.178 1.00 0.00 C ATOM 843 O TYR A 53 -2.948 9.350 -5.088 1.00 0.00 O ATOM 844 CB TYR A 53 -3.136 11.121 -7.297 1.00 0.00 C ATOM 845 CG TYR A 53 -3.003 11.890 -8.592 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.839 11.813 -9.345 1.00 0.00 C ATOM 847 CD2 TYR A 53 -4.037 12.692 -9.058 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.709 12.513 -10.530 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.915 13.395 -10.242 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.749 13.301 -10.974 1.00 0.00 C ATOM 851 OH TYR A 53 -2.624 14.000 -12.153 1.00 0.00 O ATOM 0 H TYR A 53 -5.104 9.537 -7.556 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.272 9.405 -8.249 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.102 11.347 -6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.371 11.463 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.022 11.197 -9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.950 12.767 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.797 12.443 -11.105 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.728 14.014 -10.592 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.447 14.505 -12.323 1.00 0.00 H new ATOM 861 N TRP A 54 -1.656 7.975 -6.313 1.00 0.00 N ATOM 862 CA TRP A 54 -1.112 7.265 -5.159 1.00 0.00 C ATOM 863 C TRP A 54 -0.075 8.114 -4.428 1.00 0.00 C ATOM 864 O TRP A 54 1.130 7.922 -4.593 1.00 0.00 O ATOM 865 CB TRP A 54 -0.485 5.940 -5.601 1.00 0.00 C ATOM 866 CG TRP A 54 -1.143 5.341 -6.807 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.432 4.900 -6.907 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.543 5.120 -8.089 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.668 4.418 -8.172 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.524 4.543 -8.916 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.730 5.356 -8.617 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.272 4.199 -10.241 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.978 5.013 -9.933 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.018 4.439 -10.732 1.00 0.00 C ATOM 0 H TRP A 54 -1.308 7.644 -7.213 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.933 7.062 -4.471 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.572 6.101 -5.815 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.538 5.229 -4.777 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.159 4.926 -6.109 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.551 4.030 -8.503 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.505 5.798 -8.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.040 3.758 -10.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.957 5.191 -10.352 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.208 4.181 -11.756 1.00 0.00 H new ATOM 885 N HIS A 55 -0.557 9.063 -3.631 1.00 0.00 N ATOM 886 CA HIS A 55 0.317 9.945 -2.865 1.00 0.00 C ATOM 887 C HIS A 55 1.329 9.143 -2.059 1.00 0.00 C ATOM 888 O HIS A 55 0.963 8.237 -1.310 1.00 0.00 O ATOM 889 CB HIS A 55 -0.502 10.827 -1.922 1.00 0.00 C ATOM 890 CG HIS A 55 -1.523 11.672 -2.619 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.269 12.956 -3.053 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.808 11.412 -2.949 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.355 13.449 -3.620 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.303 12.532 -3.570 1.00 0.00 N ATOM 0 H HIS A 55 -1.553 9.241 -3.499 1.00 0.00 H new ATOM 0 HA HIS A 55 0.853 10.577 -3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.006 10.193 -1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.175 11.476 -1.367 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.381 13.448 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.345 10.494 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.451 14.435 -4.051 1.00 0.00 H new ATOM 903 N TYR A 56 2.602 9.480 -2.218 1.00 0.00 N ATOM 904 CA TYR A 56 3.666 8.795 -1.496 1.00 0.00 C ATOM 905 C TYR A 56 3.671 9.221 -0.031 1.00 0.00 C ATOM 906 O TYR A 56 3.627 10.412 0.276 1.00 0.00 O ATOM 907 CB TYR A 56 5.022 9.089 -2.144 1.00 0.00 C ATOM 908 CG TYR A 56 5.131 8.617 -3.582 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.311 7.606 -4.071 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.055 9.187 -4.449 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.409 7.177 -5.381 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.157 8.764 -5.761 1.00 0.00 C ATOM 913 CZ TYR A 56 5.333 7.760 -6.221 1.00 0.00 C ATOM 914 OH TYR A 56 5.433 7.338 -7.526 1.00 0.00 O ATOM 0 H TYR A 56 2.923 10.222 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 56 3.485 7.721 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.205 10.163 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.806 8.613 -1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.585 7.148 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.704 9.973 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.765 6.390 -5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.879 9.219 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 56 5.513 6.362 -7.549 1.00 0.00 H new ATOM 924 N TYR A 57 3.725 8.244 0.871 1.00 0.00 N ATOM 925 CA TYR A 57 3.721 8.534 2.301 1.00 0.00 C ATOM 926 C TYR A 57 4.995 8.047 2.977 1.00 0.00 C ATOM 927 O TYR A 57 5.488 6.957 2.692 1.00 0.00 O ATOM 928 CB TYR A 57 2.503 7.900 2.973 1.00 0.00 C ATOM 929 CG TYR A 57 1.237 8.709 2.812 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.404 8.526 1.715 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.876 9.658 3.758 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.752 9.267 1.566 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.278 10.403 3.618 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.089 10.203 2.521 1.00 0.00 C ATOM 935 OH TYR A 57 -2.240 10.943 2.378 1.00 0.00 O ATOM 0 H TYR A 57 3.772 7.252 0.639 1.00 0.00 H new ATOM 0 HA TYR A 57 3.671 9.617 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.345 6.905 2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.710 7.771 4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.665 7.792 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.509 9.817 4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.388 9.114 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.544 11.138 4.363 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.331 11.556 3.137 1.00 0.00 H new ATOM 945 N ALA A 58 5.515 8.868 3.881 1.00 0.00 N ATOM 946 CA ALA A 58 6.732 8.540 4.610 1.00 0.00 C ATOM 947 C ALA A 58 6.423 8.149 6.051 1.00 0.00 C ATOM 948 O ALA A 58 6.253 9.010 6.915 1.00 0.00 O ATOM 949 CB ALA A 58 7.694 9.717 4.579 1.00 0.00 C ATOM 0 H ALA A 58 5.109 9.771 4.127 1.00 0.00 H new ATOM 0 HA ALA A 58 7.199 7.685 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.601 9.461 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.949 9.951 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.223 10.584 5.042 1.00 0.00 H new ATOM 955 N LEU A 59 6.349 6.848 6.301 1.00 0.00 N ATOM 956 CA LEU A 59 6.067 6.342 7.639 1.00 0.00 C ATOM 957 C LEU A 59 7.273 6.541 8.553 1.00 0.00 C ATOM 958 O LEU A 59 8.416 6.557 8.094 1.00 0.00 O ATOM 959 CB LEU A 59 5.685 4.863 7.572 1.00 0.00 C ATOM 960 CG LEU A 59 4.192 4.588 7.382 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.968 3.166 6.892 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.434 4.833 8.678 1.00 0.00 C ATOM 0 H LEU A 59 6.480 6.124 5.595 1.00 0.00 H new ATOM 0 HA LEU A 59 5.229 6.902 8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.232 4.399 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.015 4.376 8.490 1.00 0.00 H new ATOM 0 HG LEU A 59 3.810 5.275 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.900 2.990 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.477 3.025 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.366 2.462 7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.374 4.632 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.819 4.172 9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.566 5.870 8.986 1.00 0.00 H new ATOM 974 N SER A 60 7.012 6.691 9.847 1.00 0.00 N ATOM 975 CA SER A 60 8.077 6.901 10.824 1.00 0.00 C ATOM 976 C SER A 60 9.015 5.700 10.884 1.00 0.00 C ATOM 977 O SER A 60 10.189 5.835 11.229 1.00 0.00 O ATOM 978 CB SER A 60 7.484 7.167 12.209 1.00 0.00 C ATOM 979 OG SER A 60 6.752 6.046 12.672 1.00 0.00 O ATOM 0 H SER A 60 6.073 6.671 10.245 1.00 0.00 H new ATOM 0 HA SER A 60 8.653 7.771 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.284 7.399 12.912 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.832 8.040 12.168 1.00 0.00 H new ATOM 0 HG SER A 60 7.234 5.624 13.413 1.00 0.00 H new ATOM 985 N ASP A 61 8.490 4.528 10.548 1.00 0.00 N ATOM 986 CA ASP A 61 9.282 3.304 10.567 1.00 0.00 C ATOM 987 C ASP A 61 10.100 3.169 9.288 1.00 0.00 C ATOM 988 O ASP A 61 11.179 2.575 9.288 1.00 0.00 O ATOM 989 CB ASP A 61 8.371 2.087 10.729 1.00 0.00 C ATOM 990 CG ASP A 61 7.456 1.891 9.537 1.00 0.00 C ATOM 991 OD1 ASP A 61 6.363 2.493 9.522 1.00 0.00 O ATOM 992 OD2 ASP A 61 7.833 1.134 8.618 1.00 0.00 O ATOM 0 H ASP A 61 7.520 4.399 10.259 1.00 0.00 H new ATOM 0 HA ASP A 61 9.966 3.355 11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.982 1.195 10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.770 2.203 11.631 1.00 0.00 H new ATOM 997 N GLY A 62 9.579 3.725 8.200 1.00 0.00 N ATOM 998 CA GLY A 62 10.270 3.656 6.927 1.00 0.00 C ATOM 999 C GLY A 62 9.616 2.679 5.970 1.00 0.00 C ATOM 1000 O GLY A 62 10.215 2.285 4.969 1.00 0.00 O ATOM 0 H GLY A 62 8.689 4.223 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.291 4.647 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.306 3.360 7.094 1.00 0.00 H new ATOM 1004 N GLY A 63 8.385 2.289 6.281 1.00 0.00 N ATOM 1005 CA GLY A 63 7.665 1.356 5.436 1.00 0.00 C ATOM 1006 C GLY A 63 7.225 1.981 4.128 1.00 0.00 C ATOM 1007 O GLY A 63 7.307 1.347 3.075 1.00 0.00 O ATOM 0 H GLY A 63 7.872 2.603 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.299 0.494 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.790 0.986 5.971 1.00 0.00 H new ATOM 1011 N PHE A 64 6.759 3.226 4.195 1.00 0.00 N ATOM 1012 CA PHE A 64 6.301 3.944 3.009 1.00 0.00 C ATOM 1013 C PHE A 64 5.099 3.248 2.381 1.00 0.00 C ATOM 1014 O PHE A 64 5.211 2.138 1.863 1.00 0.00 O ATOM 1015 CB PHE A 64 7.438 4.065 1.988 1.00 0.00 C ATOM 1016 CG PHE A 64 7.029 4.674 0.676 1.00 0.00 C ATOM 1017 CD1 PHE A 64 6.501 3.887 -0.337 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.176 6.033 0.455 1.00 0.00 C ATOM 1019 CE1 PHE A 64 6.127 4.447 -1.543 1.00 0.00 C ATOM 1020 CE2 PHE A 64 6.806 6.597 -0.750 1.00 0.00 C ATOM 1021 CZ PHE A 64 6.280 5.803 -1.750 1.00 0.00 C ATOM 0 H PHE A 64 6.689 3.760 5.061 1.00 0.00 H new ATOM 0 HA PHE A 64 5.994 4.944 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.237 4.667 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.851 3.073 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.381 2.825 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.585 6.659 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.715 3.824 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.928 7.658 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.989 6.242 -2.693 1.00 0.00 H new ATOM 1031 N TYR A 65 3.947 3.909 2.431 1.00 0.00 N ATOM 1032 CA TYR A 65 2.730 3.350 1.856 1.00 0.00 C ATOM 1033 C TYR A 65 2.108 4.326 0.859 1.00 0.00 C ATOM 1034 O TYR A 65 2.158 5.541 1.046 1.00 0.00 O ATOM 1035 CB TYR A 65 1.733 2.978 2.962 1.00 0.00 C ATOM 1036 CG TYR A 65 0.689 4.033 3.258 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.927 5.038 4.187 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.540 4.016 2.610 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -0.031 5.997 4.460 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.501 4.971 2.878 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.242 5.959 3.803 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.196 6.912 4.073 1.00 0.00 O ATOM 0 H TYR A 65 3.831 4.827 2.861 1.00 0.00 H new ATOM 0 HA TYR A 65 2.989 2.439 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.226 2.055 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.288 2.770 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.875 5.071 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.747 3.243 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.169 6.772 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.451 4.944 2.365 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.991 6.743 3.525 1.00 0.00 H new ATOM 1052 N MET A 66 1.527 3.779 -0.202 1.00 0.00 N ATOM 1053 CA MET A 66 0.904 4.590 -1.246 1.00 0.00 C ATOM 1054 C MET A 66 -0.615 4.533 -1.157 1.00 0.00 C ATOM 1055 O MET A 66 -1.205 3.454 -1.089 1.00 0.00 O ATOM 1056 CB MET A 66 1.359 4.109 -2.625 1.00 0.00 C ATOM 1057 CG MET A 66 2.863 4.183 -2.832 1.00 0.00 C ATOM 1058 SD MET A 66 3.425 3.193 -4.231 1.00 0.00 S ATOM 1059 CE MET A 66 2.462 3.900 -5.566 1.00 0.00 C ATOM 0 H MET A 66 1.473 2.773 -0.364 1.00 0.00 H new ATOM 0 HA MET A 66 1.216 5.624 -1.099 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.032 3.079 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.866 4.709 -3.390 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.153 5.222 -2.988 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.367 3.844 -1.927 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.662 3.354 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.401 3.830 -5.326 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.736 4.947 -5.698 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.242 5.704 -1.161 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.696 5.793 -1.091 1.00 0.00 C ATOM 1071 C ALA A 67 -3.255 6.594 -2.264 1.00 0.00 C ATOM 1072 O ALA A 67 -2.790 7.696 -2.549 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.126 6.422 0.226 1.00 0.00 C ATOM 0 H ALA A 67 -0.766 6.605 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.098 4.781 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.214 6.481 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.768 5.812 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.705 7.424 0.305 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.268 6.046 -2.962 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.892 6.719 -4.105 1.00 0.00 C ATOM 1081 C PRO A 68 -5.662 7.962 -3.682 1.00 0.00 C ATOM 1082 O PRO A 68 -6.031 8.109 -2.517 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.844 5.663 -4.671 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.134 4.759 -3.524 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.885 4.736 -2.689 1.00 0.00 C ATOM 0 HA PRO A 68 -4.154 7.068 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.756 6.119 -5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.386 5.119 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.983 5.123 -2.946 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.390 3.758 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.112 4.611 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.227 3.915 -2.973 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.901 8.857 -4.633 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.624 10.091 -4.354 1.00 0.00 C ATOM 1095 C ASP A 69 -8.069 10.006 -4.837 1.00 0.00 C ATOM 1096 O ASP A 69 -8.380 10.407 -5.959 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.921 11.273 -5.020 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.532 12.605 -4.630 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.139 13.153 -3.579 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.403 13.100 -5.376 1.00 0.00 O ATOM 0 H ASP A 69 -5.605 8.751 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.635 10.239 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.866 11.266 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.969 11.158 -6.103 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.949 9.479 -3.988 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.362 9.356 -4.331 1.00 0.00 C ATOM 1107 C LEU A 70 -11.231 9.589 -3.100 1.00 0.00 C ATOM 1108 O LEU A 70 -11.375 8.707 -2.253 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.656 7.974 -4.924 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.863 7.620 -6.184 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.019 6.144 -6.514 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.307 8.482 -7.356 1.00 0.00 C ATOM 0 H LEU A 70 -8.708 9.131 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.597 10.114 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.453 7.220 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.719 7.915 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.808 7.820 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.449 5.910 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.649 5.544 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.072 5.918 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.732 8.215 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.367 8.317 -7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.141 9.533 -7.118 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.805 10.783 -3.005 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.652 11.137 -1.871 1.00 0.00 C ATOM 1126 C ALA A 71 -14.082 10.648 -2.068 1.00 0.00 C ATOM 1127 O ALA A 71 -14.610 10.666 -3.180 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.634 12.642 -1.651 1.00 0.00 C ATOM 0 H ALA A 71 -11.700 11.523 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.250 10.643 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.270 12.893 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.614 12.968 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -13.006 13.145 -2.544 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.703 10.212 -0.976 1.00 0.00 N ATOM 1135 CA GLY A 72 -16.070 9.728 -1.039 1.00 0.00 C ATOM 1136 C GLY A 72 -16.162 8.217 -0.942 1.00 0.00 C ATOM 1137 O GLY A 72 -15.145 7.529 -0.858 1.00 0.00 O ATOM 0 H GLY A 72 -14.283 10.185 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.647 10.176 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.524 10.056 -1.974 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.388 7.705 -0.947 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.628 6.277 -0.862 1.00 0.00 C ATOM 1143 C ARG A 73 -17.488 5.628 -2.230 1.00 0.00 C ATOM 1144 O ARG A 73 -18.186 5.985 -3.178 1.00 0.00 O ATOM 1145 CB ARG A 73 -19.023 6.012 -0.297 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.281 6.706 1.031 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.714 6.513 1.492 1.00 0.00 C ATOM 1148 NE ARG A 73 -21.676 7.065 0.542 1.00 0.00 N ATOM 1149 CZ ARG A 73 -22.978 6.794 0.568 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -23.471 5.978 1.492 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -23.789 7.338 -0.329 1.00 0.00 N ATOM 0 H ARG A 73 -18.236 8.268 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.885 5.841 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.768 6.341 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.156 4.938 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.599 6.314 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.070 7.771 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.910 5.450 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.849 6.990 2.463 1.00 0.00 H new ATOM 0 HE ARG A 73 -21.330 7.694 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.851 5.557 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -24.470 5.772 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -23.415 7.966 -1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -24.787 7.129 -0.307 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.579 4.672 -2.316 1.00 0.00 N ATOM 1166 CA LEU A 74 -16.333 3.957 -3.562 1.00 0.00 C ATOM 1167 C LEU A 74 -16.360 2.449 -3.335 1.00 0.00 C ATOM 1168 O LEU A 74 -15.619 1.921 -2.506 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.993 4.378 -4.172 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.771 4.187 -3.271 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -12.506 4.078 -4.109 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.653 5.337 -2.282 1.00 0.00 C ATOM 0 H LEU A 74 -15.996 4.370 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 74 -17.128 4.215 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.838 3.812 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -15.055 5.429 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.898 3.261 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.646 3.943 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.588 3.224 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.377 4.989 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.779 5.185 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.548 6.276 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.548 5.376 -1.661 1.00 0.00 H new ATOM 1184 N GLU A 75 -17.222 1.763 -4.077 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.355 0.315 -3.957 1.00 0.00 C ATOM 1186 C GLU A 75 -16.094 -0.398 -4.433 1.00 0.00 C ATOM 1187 O GLU A 75 -15.756 -0.372 -5.616 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.571 -0.176 -4.746 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.596 0.295 -6.192 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.818 -0.193 -6.944 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -19.751 -1.291 -7.537 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -20.842 0.521 -6.939 1.00 0.00 O ATOM 0 H GLU A 75 -17.840 2.187 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.498 0.079 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.588 -1.266 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.478 0.165 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.571 1.384 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.698 -0.056 -6.700 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.401 -1.032 -3.493 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.178 -1.762 -3.795 1.00 0.00 C ATOM 1201 C ILE A 76 -14.277 -3.209 -3.311 1.00 0.00 C ATOM 1202 O ILE A 76 -14.288 -3.471 -2.108 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.950 -1.072 -3.152 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.379 -0.009 -4.099 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.883 -2.091 -2.773 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.381 -0.548 -5.105 1.00 0.00 C ATOM 0 H ILE A 76 -15.669 -1.054 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.049 -1.763 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.277 -0.579 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.202 0.463 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.897 0.769 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.033 -1.578 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.297 -2.802 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.555 -2.624 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.025 0.266 -5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.538 -0.994 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.862 -1.304 -5.725 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.368 -4.143 -4.255 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.462 -5.558 -3.911 1.00 0.00 C ATOM 1220 C GLU A 77 -13.081 -6.126 -3.608 1.00 0.00 C ATOM 1221 O GLU A 77 -12.224 -6.228 -4.486 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.148 -6.358 -5.027 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.428 -6.311 -6.365 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.121 -7.141 -7.428 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.797 -8.341 -7.549 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.987 -6.590 -8.139 1.00 0.00 O ATOM 0 H GLU A 77 -14.379 -3.947 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.076 -5.647 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.236 -7.398 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.161 -5.979 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.362 -5.277 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.407 -6.670 -6.237 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.878 -6.487 -2.350 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.613 -7.027 -1.897 1.00 0.00 C ATOM 1235 C VAL A 78 -11.475 -8.500 -2.265 1.00 0.00 C ATOM 1236 O VAL A 78 -11.887 -9.375 -1.504 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.481 -6.867 -0.373 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.091 -7.246 0.083 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.816 -5.443 0.046 1.00 0.00 C ATOM 0 H VAL A 78 -13.586 -6.413 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.819 -6.470 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.192 -7.540 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.017 -7.126 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.892 -8.285 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.360 -6.601 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.717 -5.349 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.132 -4.749 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.840 -5.209 -0.246 1.00 0.00 H new ATOM 1249 N ASN A 79 -10.903 -8.772 -3.435 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.718 -10.146 -3.888 1.00 0.00 C ATOM 1251 C ASN A 79 -9.774 -10.897 -2.956 1.00 0.00 C ATOM 1252 O ASN A 79 -9.898 -12.108 -2.775 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.165 -10.167 -5.315 1.00 0.00 C ATOM 1254 CG ASN A 79 -8.743 -9.647 -5.391 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.600 -8.334 -5.522 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -7.784 -10.416 -5.328 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.561 -8.062 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.689 -10.641 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.197 -11.186 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.805 -9.563 -5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.940 -11.419 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.833 -10.050 -5.376 1.00 0.00 H new ATOM 1263 N GLY A 80 -8.825 -10.163 -2.377 1.00 0.00 N ATOM 1264 CA GLY A 80 -7.864 -10.755 -1.462 1.00 0.00 C ATOM 1265 C GLY A 80 -8.493 -11.739 -0.492 1.00 0.00 C ATOM 1266 O GLY A 80 -7.849 -12.701 -0.072 1.00 0.00 O ATOM 0 H GLY A 80 -8.705 -9.161 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.091 -11.265 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.372 -9.962 -0.898 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.753 -11.502 -0.137 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.458 -12.382 0.784 1.00 0.00 C ATOM 1272 C ASN A 81 -11.958 -12.388 0.501 1.00 0.00 C ATOM 1273 O ASN A 81 -12.749 -12.857 1.319 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.200 -11.957 2.229 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.013 -10.747 2.634 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.123 -10.878 3.148 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.463 -9.560 2.409 1.00 0.00 N ATOM 0 H ASN A 81 -10.303 -10.711 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.079 -13.393 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.435 -12.787 2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.140 -11.737 2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.964 -8.709 2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.540 -9.499 1.980 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.345 -11.870 -0.663 1.00 0.00 N ATOM 1285 CA GLY A 82 -13.749 -11.840 -1.032 1.00 0.00 C ATOM 1286 C GLY A 82 -14.575 -10.918 -0.157 1.00 0.00 C ATOM 1287 O GLY A 82 -15.791 -11.082 -0.052 1.00 0.00 O ATOM 0 H GLY A 82 -11.711 -11.471 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.839 -11.522 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.156 -12.849 -0.971 1.00 0.00 H new ATOM 1291 N PHE A 83 -13.921 -9.947 0.473 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.621 -9.004 1.336 1.00 0.00 C ATOM 1293 C PHE A 83 -15.156 -7.826 0.534 1.00 0.00 C ATOM 1294 O PHE A 83 -14.447 -6.847 0.297 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.700 -8.500 2.449 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.317 -7.422 3.296 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.460 -7.675 4.038 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.757 -6.156 3.346 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.033 -6.685 4.813 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.323 -5.162 4.120 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.463 -5.427 4.856 1.00 0.00 C ATOM 0 H PHE A 83 -12.915 -9.794 0.403 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.463 -9.530 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.422 -9.339 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.780 -8.120 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.908 -8.657 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.867 -5.944 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.925 -6.894 5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.876 -4.179 4.150 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.907 -4.652 5.463 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.411 -7.925 0.112 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.041 -6.859 -0.651 1.00 0.00 C ATOM 1313 C ARG A 84 -17.472 -5.735 0.282 1.00 0.00 C ATOM 1314 O ARG A 84 -18.435 -5.879 1.035 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.251 -7.397 -1.419 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.877 -6.381 -2.359 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.123 -6.936 -3.029 1.00 0.00 C ATOM 1318 NE ARG A 84 -19.858 -8.188 -3.731 1.00 0.00 N ATOM 1319 CZ ARG A 84 -20.690 -8.732 -4.614 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -21.835 -8.131 -4.908 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -20.378 -9.877 -5.204 1.00 0.00 N ATOM 0 H ARG A 84 -17.010 -8.732 0.286 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.319 -6.468 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.946 -8.271 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.004 -7.731 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.133 -5.479 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.152 -6.092 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.896 -7.099 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.513 -6.201 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.983 -8.674 -3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.079 -7.250 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -22.472 -8.550 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -19.498 -10.343 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -21.018 -10.293 -5.881 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.756 -4.617 0.232 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.091 -3.498 1.094 1.00 0.00 C ATOM 1337 C GLY A 85 -16.509 -2.182 0.620 1.00 0.00 C ATOM 1338 O GLY A 85 -15.321 -2.097 0.304 1.00 0.00 O ATOM 0 H GLY A 85 -15.957 -4.466 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.175 -3.407 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.731 -3.704 2.102 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.350 -1.153 0.571 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.915 0.172 0.146 1.00 0.00 C ATOM 1344 C GLU A 86 -15.876 0.716 1.119 1.00 0.00 C ATOM 1345 O GLU A 86 -16.004 0.547 2.332 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.109 1.126 0.070 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.232 0.627 -0.826 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.412 1.577 -0.866 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.311 1.443 -0.010 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.437 2.456 -1.754 1.00 0.00 O ATOM 0 H GLU A 86 -18.337 -1.212 0.821 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.468 0.091 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.501 1.285 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.767 2.094 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.850 0.486 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.567 -0.348 -0.473 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.848 1.370 0.589 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.792 1.922 1.429 1.00 0.00 C ATOM 1359 C LEU A 87 -13.131 3.123 0.762 1.00 0.00 C ATOM 1360 O LEU A 87 -12.896 3.124 -0.445 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.745 0.848 1.731 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.851 1.126 2.941 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.689 1.285 4.201 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.833 0.009 3.115 1.00 0.00 C ATOM 0 H LEU A 87 -14.724 1.530 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.242 2.257 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.258 -0.101 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.111 0.725 0.853 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.315 2.059 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.035 1.482 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.381 2.118 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.252 0.369 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.204 0.221 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.353 -0.937 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.211 -0.059 2.222 1.00 0.00 H new ATOM 1376 N SER A 88 -12.829 4.140 1.563 1.00 0.00 N ATOM 1377 CA SER A 88 -12.196 5.355 1.060 1.00 0.00 C ATOM 1378 C SER A 88 -10.826 5.048 0.466 1.00 0.00 C ATOM 1379 O SER A 88 -10.230 4.014 0.761 1.00 0.00 O ATOM 1380 CB SER A 88 -12.060 6.386 2.182 1.00 0.00 C ATOM 1381 OG SER A 88 -13.328 6.744 2.703 1.00 0.00 O ATOM 0 H SER A 88 -13.013 4.147 2.566 1.00 0.00 H new ATOM 0 HA SER A 88 -12.829 5.766 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.437 5.980 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.555 7.275 1.804 1.00 0.00 H new ATOM 0 HG SER A 88 -13.213 7.403 3.420 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.333 5.958 -0.369 1.00 0.00 N ATOM 1388 CA ALA A 89 -9.036 5.785 -1.012 1.00 0.00 C ATOM 1389 C ALA A 89 -7.910 5.698 0.009 1.00 0.00 C ATOM 1390 O ALA A 89 -6.823 5.203 -0.291 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.776 6.925 -1.984 1.00 0.00 C ATOM 0 H ALA A 89 -10.813 6.823 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.060 4.843 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.804 6.785 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.554 6.937 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.783 7.872 -1.444 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.172 6.180 1.218 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.176 6.156 2.280 1.00 0.00 C ATOM 1399 C ASP A 90 -7.064 4.760 2.881 1.00 0.00 C ATOM 1400 O ASP A 90 -6.003 4.140 2.835 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.535 7.167 3.371 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.531 7.176 4.506 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -5.545 7.939 4.422 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.730 6.420 5.480 1.00 0.00 O ATOM 0 H ASP A 90 -9.066 6.592 1.486 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.213 6.428 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.593 8.164 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.524 6.934 3.766 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.168 4.266 3.435 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.192 2.943 4.051 1.00 0.00 C ATOM 1411 C ALA A 91 -8.020 1.845 3.008 1.00 0.00 C ATOM 1412 O ALA A 91 -7.654 0.716 3.334 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.487 2.746 4.824 1.00 0.00 C ATOM 0 H ALA A 91 -9.058 4.763 3.470 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.354 2.877 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.492 1.755 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.564 3.504 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.334 2.838 4.144 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.286 2.184 1.751 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.158 1.231 0.657 1.00 0.00 C ATOM 1421 C ALA A 92 -6.724 1.196 0.156 1.00 0.00 C ATOM 1422 O ALA A 92 -6.208 0.143 -0.216 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.110 1.584 -0.476 1.00 0.00 C ATOM 0 H ALA A 92 -8.592 3.114 1.465 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.422 0.241 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.999 0.860 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.136 1.563 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.878 2.582 -0.849 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.086 2.361 0.149 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.710 2.444 -0.289 1.00 0.00 C ATOM 1431 C GLY A 93 -3.800 1.619 0.591 1.00 0.00 C ATOM 1432 O GLY A 93 -2.674 1.299 0.211 1.00 0.00 O ATOM 0 H GLY A 93 -6.499 3.247 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.633 2.098 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.385 3.484 -0.277 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.297 1.272 1.776 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.530 0.469 2.720 1.00 0.00 C ATOM 1438 C ILE A 94 -3.461 -0.979 2.252 1.00 0.00 C ATOM 1439 O ILE A 94 -2.434 -1.644 2.387 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.152 0.497 4.133 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.789 1.862 4.424 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.101 0.164 5.181 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.823 3.024 4.342 1.00 0.00 C ATOM 0 H ILE A 94 -5.227 1.535 2.103 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.530 0.901 2.765 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.937 -0.258 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.603 2.029 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.231 1.840 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.555 0.188 6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.699 -0.831 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.295 0.896 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.351 3.952 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.022 2.883 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.400 3.075 3.339 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.569 -1.455 1.694 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.664 -2.822 1.202 1.00 0.00 C ATOM 1457 C VAL A 95 -3.955 -2.980 -0.140 1.00 0.00 C ATOM 1458 O VAL A 95 -3.497 -4.069 -0.484 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.137 -3.248 1.049 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.239 -4.702 0.617 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.895 -3.014 2.346 1.00 0.00 C ATOM 0 H VAL A 95 -5.421 -0.907 1.571 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.176 -3.463 1.936 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.592 -2.635 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.288 -4.979 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.735 -4.833 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.767 -5.338 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.934 -3.320 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.438 -3.598 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.857 -1.956 2.604 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.862 -1.889 -0.892 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.214 -1.918 -2.199 1.00 0.00 C ATOM 1473 C ALA A 96 -1.700 -2.060 -2.070 1.00 0.00 C ATOM 1474 O ALA A 96 -1.082 -2.861 -2.770 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.561 -0.662 -2.984 1.00 0.00 C ATOM 0 H ALA A 96 -4.226 -0.976 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.585 -2.790 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.072 -0.695 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.641 -0.606 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.219 0.216 -2.436 1.00 0.00 H new ATOM 1481 N THR A 97 -1.110 -1.278 -1.171 1.00 0.00 N ATOM 1482 CA THR A 97 0.331 -1.313 -0.958 1.00 0.00 C ATOM 1483 C THR A 97 0.761 -2.562 -0.192 1.00 0.00 C ATOM 1484 O THR A 97 1.755 -3.198 -0.540 1.00 0.00 O ATOM 1485 CB THR A 97 0.820 -0.062 -0.202 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.207 -0.196 0.125 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.012 0.158 1.068 1.00 0.00 C ATOM 0 H THR A 97 -1.608 -0.613 -0.579 1.00 0.00 H new ATOM 0 HA THR A 97 0.787 -1.334 -1.948 1.00 0.00 H new ATOM 0 HB THR A 97 0.683 0.802 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.397 0.295 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.377 1.047 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.039 0.293 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.118 -0.708 1.721 1.00 0.00 H new ATOM 1495 N LEU A 98 0.011 -2.910 0.852 1.00 0.00 N ATOM 1496 CA LEU A 98 0.324 -4.087 1.660 1.00 0.00 C ATOM 1497 C LEU A 98 0.452 -5.343 0.800 1.00 0.00 C ATOM 1498 O LEU A 98 1.468 -6.036 0.851 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.748 -4.301 2.732 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.623 -3.406 3.966 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.822 -3.594 4.883 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.670 -3.702 4.712 1.00 0.00 C ATOM 0 H LEU A 98 -0.815 -2.396 1.158 1.00 0.00 H new ATOM 0 HA LEU A 98 1.285 -3.906 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.727 -4.137 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.715 -5.342 3.053 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.600 -2.367 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.717 -2.950 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.734 -3.333 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.875 -4.634 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.741 -3.056 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.676 -4.745 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.520 -3.518 4.055 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.581 -5.631 0.014 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.582 -6.809 -0.851 1.00 0.00 C ATOM 1516 C PHE A 99 0.634 -6.827 -1.773 1.00 0.00 C ATOM 1517 O PHE A 99 1.127 -7.893 -2.143 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.865 -6.859 -1.683 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.959 -7.670 -1.052 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.038 -9.036 -1.274 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.908 -7.071 -0.240 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.043 -9.789 -0.697 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.915 -7.819 0.340 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.983 -9.180 0.111 1.00 0.00 C ATOM 0 H PHE A 99 -1.428 -5.066 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.535 -7.688 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.224 -5.842 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.636 -7.275 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.306 -9.517 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.860 -6.007 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.093 -10.853 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.648 -7.340 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.769 -9.766 0.563 1.00 0.00 H new ATOM 1534 N ALA A 100 1.112 -5.644 -2.142 1.00 0.00 N ATOM 1535 CA ALA A 100 2.268 -5.530 -3.023 1.00 0.00 C ATOM 1536 C ALA A 100 3.532 -6.061 -2.354 1.00 0.00 C ATOM 1537 O ALA A 100 4.340 -6.742 -2.986 1.00 0.00 O ATOM 1538 CB ALA A 100 2.464 -4.082 -3.445 1.00 0.00 C ATOM 0 H ALA A 100 0.717 -4.751 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 100 2.078 -6.138 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.330 -4.009 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.577 -3.734 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.626 -3.464 -2.562 1.00 0.00 H new ATOM 1544 N LEU A 101 3.696 -5.742 -1.076 1.00 0.00 N ATOM 1545 CA LEU A 101 4.863 -6.181 -0.316 1.00 0.00 C ATOM 1546 C LEU A 101 4.960 -7.704 -0.263 1.00 0.00 C ATOM 1547 O LEU A 101 6.037 -8.272 -0.442 1.00 0.00 O ATOM 1548 CB LEU A 101 4.805 -5.620 1.106 1.00 0.00 C ATOM 1549 CG LEU A 101 4.903 -4.096 1.210 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.676 -3.647 2.646 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.255 -3.613 0.707 1.00 0.00 C ATOM 0 H LEU A 101 3.034 -5.179 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 101 5.750 -5.803 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.871 -5.940 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.615 -6.061 1.687 1.00 0.00 H new ATOM 0 HG LEU A 101 4.127 -3.656 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.749 -2.561 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.685 -3.962 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.431 -4.096 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.307 -2.527 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.047 -4.060 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.381 -3.905 -0.336 1.00 0.00 H new ATOM 1563 N GLY A 102 3.830 -8.357 -0.017 1.00 0.00 N ATOM 1564 CA GLY A 102 3.810 -9.806 0.074 1.00 0.00 C ATOM 1565 C GLY A 102 4.180 -10.503 -1.223 1.00 0.00 C ATOM 1566 O GLY A 102 4.828 -11.551 -1.204 1.00 0.00 O ATOM 0 H GLY A 102 2.925 -7.908 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.501 -10.122 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.814 -10.129 0.379 1.00 0.00 H new ATOM 1570 N GLN A 103 3.775 -9.930 -2.351 1.00 0.00 N ATOM 1571 CA GLN A 103 4.066 -10.526 -3.653 1.00 0.00 C ATOM 1572 C GLN A 103 5.496 -10.227 -4.095 1.00 0.00 C ATOM 1573 O GLN A 103 6.228 -11.128 -4.506 1.00 0.00 O ATOM 1574 CB GLN A 103 3.074 -10.025 -4.706 1.00 0.00 C ATOM 1575 CG GLN A 103 3.272 -10.657 -6.075 1.00 0.00 C ATOM 1576 CD GLN A 103 2.112 -10.396 -7.018 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.452 -9.256 -6.848 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 1.815 -11.210 -7.892 1.00 0.00 N flip ATOM 0 H GLN A 103 3.247 -9.058 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 103 3.962 -11.606 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.059 -10.229 -4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.168 -8.943 -4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.189 -10.270 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.404 -11.733 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.349 -12.074 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.035 -11.021 -8.521 1.00 0.00 H new ATOM 1587 N LEU A 104 5.888 -8.960 -4.010 1.00 0.00 N ATOM 1588 CA LEU A 104 7.223 -8.541 -4.400 1.00 0.00 C ATOM 1589 C LEU A 104 8.285 -9.292 -3.607 1.00 0.00 C ATOM 1590 O LEU A 104 9.421 -9.442 -4.055 1.00 0.00 O ATOM 1591 CB LEU A 104 7.373 -7.039 -4.177 1.00 0.00 C ATOM 1592 CG LEU A 104 8.582 -6.407 -4.859 1.00 0.00 C ATOM 1593 CD1 LEU A 104 8.461 -6.528 -6.369 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.729 -4.953 -4.443 1.00 0.00 C ATOM 0 H LEU A 104 5.293 -8.204 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 104 7.363 -8.770 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.471 -6.541 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.438 -6.850 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 104 9.478 -6.942 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.331 -6.072 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.407 -7.581 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.558 -6.018 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.597 -4.518 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.834 -4.401 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.862 -4.895 -3.363 1.00 0.00 H new ATOM 1606 N ALA A 105 7.902 -9.761 -2.427 1.00 0.00 N ATOM 1607 CA ALA A 105 8.816 -10.498 -1.561 1.00 0.00 C ATOM 1608 C ALA A 105 9.003 -11.928 -2.051 1.00 0.00 C ATOM 1609 O ALA A 105 10.092 -12.492 -1.951 1.00 0.00 O ATOM 1610 CB ALA A 105 8.307 -10.490 -0.128 1.00 0.00 C ATOM 0 H ALA A 105 6.963 -9.644 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 105 9.786 -10.002 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.999 -11.044 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.233 -9.462 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.324 -10.959 -0.088 1.00 0.00 H new ATOM 1616 N ALA A 106 7.935 -12.509 -2.585 1.00 0.00 N ATOM 1617 CA ALA A 106 7.976 -13.877 -3.088 1.00 0.00 C ATOM 1618 C ALA A 106 8.346 -13.911 -4.566 1.00 0.00 C ATOM 1619 O ALA A 106 8.538 -14.982 -5.142 1.00 0.00 O ATOM 1620 CB ALA A 106 6.635 -14.554 -2.870 1.00 0.00 C ATOM 0 H ALA A 106 7.028 -12.053 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 106 8.745 -14.417 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.677 -15.575 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.405 -14.572 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.858 -14.002 -3.399 1.00 0.00 H new ATOM 1626 N GLU A 107 8.444 -12.735 -5.175 1.00 0.00 N ATOM 1627 CA GLU A 107 8.785 -12.633 -6.590 1.00 0.00 C ATOM 1628 C GLU A 107 10.285 -12.425 -6.789 1.00 0.00 C ATOM 1629 O GLU A 107 10.894 -13.044 -7.661 1.00 0.00 O ATOM 1630 CB GLU A 107 8.009 -11.486 -7.240 1.00 0.00 C ATOM 1631 CG GLU A 107 8.254 -11.354 -8.735 1.00 0.00 C ATOM 1632 CD GLU A 107 7.840 -12.592 -9.505 1.00 0.00 C ATOM 1633 OE1 GLU A 107 6.667 -12.665 -9.928 1.00 0.00 O ATOM 1634 OE2 GLU A 107 8.689 -13.491 -9.686 1.00 0.00 O ATOM 0 H GLU A 107 8.292 -11.839 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 107 8.507 -13.573 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.943 -11.636 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.283 -10.551 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.704 -10.493 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.312 -11.159 -8.910 1.00 0.00 H new ATOM 1641 N ILE A 108 10.876 -11.553 -5.977 1.00 0.00 N ATOM 1642 CA ILE A 108 12.303 -11.265 -6.080 1.00 0.00 C ATOM 1643 C ILE A 108 13.147 -12.463 -5.649 1.00 0.00 C ATOM 1644 O ILE A 108 14.122 -12.814 -6.314 1.00 0.00 O ATOM 1645 CB ILE A 108 12.701 -10.034 -5.238 1.00 0.00 C ATOM 1646 CG1 ILE A 108 12.326 -10.241 -3.768 1.00 0.00 C ATOM 1647 CG2 ILE A 108 12.035 -8.782 -5.789 1.00 0.00 C ATOM 1648 CD1 ILE A 108 12.859 -9.163 -2.847 1.00 0.00 C ATOM 0 H ILE A 108 10.391 -11.036 -5.244 1.00 0.00 H new ATOM 0 HA ILE A 108 12.499 -11.050 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 108 13.782 -9.908 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.240 -10.277 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.705 -11.208 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.324 -7.921 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.351 -8.626 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.952 -8.901 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.554 -9.376 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.947 -9.141 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.460 -8.195 -3.151 1.00 0.00 H new ATOM 1660 N ALA A 109 12.768 -13.088 -4.538 1.00 0.00 N ATOM 1661 CA ALA A 109 13.494 -14.243 -4.023 1.00 0.00 C ATOM 1662 C ALA A 109 12.737 -14.904 -2.876 1.00 0.00 C ATOM 1663 O ALA A 109 11.563 -14.617 -2.648 1.00 0.00 O ATOM 1664 CB ALA A 109 14.887 -13.831 -3.569 1.00 0.00 C ATOM 0 H ALA A 109 11.962 -12.813 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 109 13.585 -14.971 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 109 15.418 -14.703 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 109 15.436 -13.413 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 109 14.806 -13.082 -2.782 1.00 0.00 H new ATOM 1670 N ASP A 110 13.418 -15.793 -2.159 1.00 0.00 N ATOM 1671 CA ASP A 110 12.810 -16.494 -1.034 1.00 0.00 C ATOM 1672 C ASP A 110 13.874 -16.963 -0.045 1.00 0.00 C ATOM 1673 O ASP A 110 13.584 -17.721 0.881 1.00 0.00 O ATOM 1674 CB ASP A 110 12.000 -17.693 -1.532 1.00 0.00 C ATOM 1675 CG ASP A 110 12.854 -18.699 -2.279 1.00 0.00 C ATOM 1676 OD1 ASP A 110 13.399 -19.615 -1.626 1.00 0.00 O ATOM 1677 OD2 ASP A 110 12.981 -18.570 -3.513 1.00 0.00 O ATOM 0 H ASP A 110 14.390 -16.045 -2.337 1.00 0.00 H new ATOM 0 HA ASP A 110 12.144 -15.799 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.524 -18.184 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 110 11.202 -17.342 -2.186 1.00 0.00 H new ATOM 1682 N THR A 111 15.107 -16.504 -0.244 1.00 0.00 N ATOM 1683 CA THR A 111 16.212 -16.879 0.629 1.00 0.00 C ATOM 1684 C THR A 111 16.756 -15.671 1.385 1.00 0.00 C ATOM 1685 O THR A 111 16.650 -15.594 2.609 1.00 0.00 O ATOM 1686 CB THR A 111 17.357 -17.536 -0.163 1.00 0.00 C ATOM 1687 OG1 THR A 111 17.808 -16.655 -1.198 1.00 0.00 O ATOM 1688 CG2 THR A 111 16.905 -18.853 -0.776 1.00 0.00 C ATOM 0 H THR A 111 15.364 -15.872 -1.002 1.00 0.00 H new ATOM 0 HA THR A 111 15.816 -17.600 1.344 1.00 0.00 H new ATOM 0 HB THR A 111 18.177 -17.735 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 111 18.647 -16.229 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.731 -19.299 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 111 16.590 -19.534 0.015 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.070 -18.672 -1.452 1.00 0.00 H new ATOM 1696 N ASP A 112 17.339 -14.729 0.649 1.00 0.00 N ATOM 1697 CA ASP A 112 17.901 -13.525 1.253 1.00 0.00 C ATOM 1698 C ASP A 112 16.952 -12.342 1.100 1.00 0.00 C ATOM 1699 O ASP A 112 16.495 -11.768 2.089 1.00 0.00 O ATOM 1700 CB ASP A 112 19.253 -13.194 0.618 1.00 0.00 C ATOM 1701 CG ASP A 112 20.266 -14.306 0.798 1.00 0.00 C ATOM 1702 OD1 ASP A 112 20.326 -15.201 -0.071 1.00 0.00 O ATOM 1703 OD2 ASP A 112 20.999 -14.283 1.810 1.00 0.00 O ATOM 0 H ASP A 112 17.435 -14.776 -0.365 1.00 0.00 H new ATOM 0 HA ASP A 112 18.043 -13.717 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.114 -13.002 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.643 -12.277 1.059 1.00 0.00 H new ATOM 1708 N ALA A 113 16.657 -11.981 -0.145 1.00 0.00 N ATOM 1709 CA ALA A 113 15.763 -10.867 -0.427 1.00 0.00 C ATOM 1710 C ALA A 113 14.316 -11.335 -0.520 1.00 0.00 C ATOM 1711 O ALA A 113 13.823 -11.646 -1.606 1.00 0.00 O ATOM 1712 CB ALA A 113 16.178 -10.167 -1.713 1.00 0.00 C ATOM 0 H ALA A 113 17.026 -12.446 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 113 15.836 -10.158 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 113 15.500 -9.337 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 113 17.195 -9.789 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 113 16.137 -10.874 -2.542 1.00 0.00 H new ATOM 1718 N ALA A 114 13.646 -11.402 0.626 1.00 0.00 N ATOM 1719 CA ALA A 114 12.252 -11.832 0.679 1.00 0.00 C ATOM 1720 C ALA A 114 11.711 -11.756 2.101 1.00 0.00 C ATOM 1721 O ALA A 114 10.513 -11.925 2.331 1.00 0.00 O ATOM 1722 CB ALA A 114 12.112 -13.247 0.141 1.00 0.00 C ATOM 0 H ALA A 114 14.047 -11.163 1.533 1.00 0.00 H new ATOM 0 HA ALA A 114 11.668 -11.157 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.067 -13.552 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.453 -13.278 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.715 -13.926 0.743 1.00 0.00 H new ATOM 1728 N ASP A 115 12.603 -11.502 3.050 1.00 0.00 N ATOM 1729 CA ASP A 115 12.226 -11.409 4.451 1.00 0.00 C ATOM 1730 C ASP A 115 12.667 -10.078 5.048 1.00 0.00 C ATOM 1731 O ASP A 115 12.301 -9.744 6.176 1.00 0.00 O ATOM 1732 CB ASP A 115 12.846 -12.563 5.238 1.00 0.00 C ATOM 1733 CG ASP A 115 14.356 -12.460 5.324 1.00 0.00 C ATOM 1734 OD1 ASP A 115 15.039 -12.973 4.413 1.00 0.00 O ATOM 1735 OD2 ASP A 115 14.855 -11.868 6.304 1.00 0.00 O ATOM 0 H ASP A 115 13.597 -11.356 2.872 1.00 0.00 H new ATOM 0 HA ASP A 115 11.140 -11.471 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.428 -12.578 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.575 -13.508 4.766 1.00 0.00 H new ATOM 1740 N ALA A 116 13.454 -9.319 4.290 1.00 0.00 N ATOM 1741 CA ALA A 116 13.935 -8.025 4.754 1.00 0.00 C ATOM 1742 C ALA A 116 12.893 -6.951 4.489 1.00 0.00 C ATOM 1743 O ALA A 116 12.529 -6.187 5.383 1.00 0.00 O ATOM 1744 CB ALA A 116 15.250 -7.672 4.075 1.00 0.00 C ATOM 0 H ALA A 116 13.770 -9.578 3.355 1.00 0.00 H new ATOM 0 HA ALA A 116 14.108 -8.082 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.595 -6.702 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 116 15.996 -8.432 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.102 -7.629 2.996 1.00 0.00 H new ATOM 1750 N LEU A 117 12.418 -6.899 3.250 1.00 0.00 N ATOM 1751 CA LEU A 117 11.403 -5.935 2.861 1.00 0.00 C ATOM 1752 C LEU A 117 10.128 -6.189 3.649 1.00 0.00 C ATOM 1753 O LEU A 117 9.329 -5.282 3.879 1.00 0.00 O ATOM 1754 CB LEU A 117 11.118 -6.047 1.363 1.00 0.00 C ATOM 1755 CG LEU A 117 10.267 -7.254 0.966 1.00 0.00 C ATOM 1756 CD1 LEU A 117 8.796 -6.872 0.911 1.00 0.00 C ATOM 1757 CD2 LEU A 117 10.729 -7.814 -0.367 1.00 0.00 C ATOM 0 H LEU A 117 12.723 -7.516 2.497 1.00 0.00 H new ATOM 0 HA LEU A 117 11.766 -4.930 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.613 -5.139 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.067 -6.096 0.829 1.00 0.00 H new ATOM 0 HG LEU A 117 10.390 -8.029 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.204 -7.742 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.475 -6.519 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.653 -6.080 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.113 -8.672 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.636 -7.047 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.771 -8.125 -0.289 1.00 0.00 H new ATOM 1769 N ILE A 118 9.946 -7.444 4.050 1.00 0.00 N ATOM 1770 CA ILE A 118 8.780 -7.844 4.821 1.00 0.00 C ATOM 1771 C ILE A 118 8.607 -6.939 6.033 1.00 0.00 C ATOM 1772 O ILE A 118 7.493 -6.732 6.517 1.00 0.00 O ATOM 1773 CB ILE A 118 8.897 -9.316 5.278 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.655 -10.261 4.097 1.00 0.00 C ATOM 1775 CG2 ILE A 118 7.923 -9.612 6.410 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.281 -10.122 3.474 1.00 0.00 C ATOM 0 H ILE A 118 10.597 -8.203 3.851 1.00 0.00 H new ATOM 0 HA ILE A 118 7.905 -7.749 4.178 1.00 0.00 H new ATOM 0 HB ILE A 118 9.908 -9.479 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.410 -10.074 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.789 -11.289 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.024 -10.654 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.143 -8.963 7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.904 -9.431 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.185 -10.823 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.519 -10.338 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.150 -9.105 3.106 1.00 0.00 H new ATOM 1788 N ASP A 119 9.719 -6.393 6.512 1.00 0.00 N ATOM 1789 CA ASP A 119 9.705 -5.499 7.659 1.00 0.00 C ATOM 1790 C ASP A 119 8.706 -4.368 7.449 1.00 0.00 C ATOM 1791 O ASP A 119 7.958 -4.012 8.359 1.00 0.00 O ATOM 1792 CB ASP A 119 11.100 -4.922 7.898 1.00 0.00 C ATOM 1793 CG ASP A 119 11.705 -5.394 9.207 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.369 -6.453 9.206 1.00 0.00 O ATOM 1795 OD2 ASP A 119 11.517 -4.706 10.231 1.00 0.00 O ATOM 0 H ASP A 119 10.646 -6.557 6.119 1.00 0.00 H new ATOM 0 HA ASP A 119 9.402 -6.073 8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.754 -5.208 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.045 -3.833 7.898 1.00 0.00 H new ATOM 1800 N ARG A 120 8.693 -3.809 6.240 1.00 0.00 N ATOM 1801 CA ARG A 120 7.784 -2.716 5.917 1.00 0.00 C ATOM 1802 C ARG A 120 6.335 -3.140 6.119 1.00 0.00 C ATOM 1803 O ARG A 120 5.504 -2.351 6.565 1.00 0.00 O ATOM 1804 CB ARG A 120 7.990 -2.251 4.472 1.00 0.00 C ATOM 1805 CG ARG A 120 9.322 -1.557 4.228 1.00 0.00 C ATOM 1806 CD ARG A 120 10.473 -2.549 4.171 1.00 0.00 C ATOM 1807 NE ARG A 120 11.698 -1.938 3.665 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.160 -2.121 2.433 1.00 0.00 C ATOM 1809 NH1 ARG A 120 11.499 -2.893 1.580 1.00 0.00 N ATOM 1810 NH2 ARG A 120 13.285 -1.531 2.049 1.00 0.00 N ATOM 0 H ARG A 120 9.300 -4.095 5.472 1.00 0.00 H new ATOM 0 HA ARG A 120 8.005 -1.888 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.915 -3.113 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.183 -1.570 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.276 -1.000 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.505 -0.833 5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.654 -2.952 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.197 -3.389 3.533 1.00 0.00 H new ATOM 0 HE ARG A 120 12.230 -1.336 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.633 -3.348 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.857 -3.031 0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.797 -0.936 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.638 -1.673 1.103 1.00 0.00 H new ATOM 1824 N TYR A 121 6.039 -4.391 5.784 1.00 0.00 N ATOM 1825 CA TYR A 121 4.690 -4.921 5.933 1.00 0.00 C ATOM 1826 C TYR A 121 4.297 -5.000 7.405 1.00 0.00 C ATOM 1827 O TYR A 121 3.217 -4.555 7.795 1.00 0.00 O ATOM 1828 CB TYR A 121 4.591 -6.308 5.292 1.00 0.00 C ATOM 1829 CG TYR A 121 3.173 -6.818 5.155 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.462 -7.269 6.260 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.546 -6.850 3.915 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.167 -7.736 6.135 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.252 -7.316 3.782 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.567 -7.757 4.894 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.721 -8.223 4.765 1.00 0.00 O ATOM 0 H TYR A 121 6.715 -5.056 5.408 1.00 0.00 H new ATOM 0 HA TYR A 121 4.002 -4.244 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.052 -6.276 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.166 -7.016 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.929 -7.254 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.079 -6.505 3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.628 -8.082 7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.779 -7.335 2.811 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.996 -8.170 3.826 1.00 0.00 H new ATOM 1845 N HIS A 122 5.182 -5.571 8.218 1.00 0.00 N ATOM 1846 CA HIS A 122 4.932 -5.714 9.650 1.00 0.00 C ATOM 1847 C HIS A 122 4.631 -4.366 10.295 1.00 0.00 C ATOM 1848 O HIS A 122 3.841 -4.282 11.236 1.00 0.00 O ATOM 1849 CB HIS A 122 6.133 -6.366 10.338 1.00 0.00 C ATOM 1850 CG HIS A 122 6.251 -7.836 10.079 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.748 -8.726 11.008 1.00 0.00 N ATOM 1852 CD2 HIS A 122 5.933 -8.574 8.988 1.00 0.00 C ATOM 1853 CE1 HIS A 122 6.732 -9.945 10.501 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.241 -9.880 9.277 1.00 0.00 N ATOM 0 H HIS A 122 6.080 -5.943 7.909 1.00 0.00 H new ATOM 0 HA HIS A 122 4.059 -6.354 9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.045 -5.873 10.002 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.059 -6.200 11.413 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.515 -8.204 8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.064 -10.842 11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.112 -10.672 8.648 1.00 0.00 H new ATOM 1863 N PHE A 123 5.263 -3.314 9.786 1.00 0.00 N ATOM 1864 CA PHE A 123 5.057 -1.973 10.321 1.00 0.00 C ATOM 1865 C PHE A 123 3.776 -1.355 9.770 1.00 0.00 C ATOM 1866 O PHE A 123 2.902 -0.937 10.531 1.00 0.00 O ATOM 1867 CB PHE A 123 6.250 -1.073 9.992 1.00 0.00 C ATOM 1868 CG PHE A 123 7.535 -1.498 10.649 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.576 -1.791 12.003 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.703 -1.599 9.910 1.00 0.00 C ATOM 1871 CE1 PHE A 123 8.758 -2.176 12.607 1.00 0.00 C ATOM 1872 CE2 PHE A 123 9.887 -1.985 10.509 1.00 0.00 C ATOM 1873 CZ PHE A 123 9.915 -2.274 11.859 1.00 0.00 C ATOM 0 H PHE A 123 5.920 -3.363 9.007 1.00 0.00 H new ATOM 0 HA PHE A 123 4.964 -2.058 11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.394 -1.058 8.912 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.018 -0.053 10.297 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.674 -1.718 12.593 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.688 -1.373 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.777 -2.400 13.663 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.790 -2.061 9.922 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.839 -2.576 12.329 1.00 0.00 H new ATOM 1883 N LEU A 124 3.676 -1.297 8.444 1.00 0.00 N ATOM 1884 CA LEU A 124 2.505 -0.731 7.780 1.00 0.00 C ATOM 1885 C LEU A 124 1.220 -1.309 8.358 1.00 0.00 C ATOM 1886 O LEU A 124 0.370 -0.574 8.859 1.00 0.00 O ATOM 1887 CB LEU A 124 2.575 -1.016 6.277 1.00 0.00 C ATOM 1888 CG LEU A 124 1.842 -0.016 5.379 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.126 -0.313 3.914 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.345 -0.040 5.646 1.00 0.00 C ATOM 0 H LEU A 124 4.396 -1.637 7.806 1.00 0.00 H new ATOM 0 HA LEU A 124 2.501 0.346 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.623 -1.044 5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.165 -2.009 6.094 1.00 0.00 H new ATOM 0 HG LEU A 124 2.211 0.983 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.598 0.406 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.197 -0.238 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.786 -1.321 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.152 0.679 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.044 -1.039 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.157 0.222 6.687 1.00 0.00 H new ATOM 1902 N ARG A 125 1.080 -2.627 8.263 1.00 0.00 N ATOM 1903 CA ARG A 125 -0.096 -3.315 8.785 1.00 0.00 C ATOM 1904 C ARG A 125 -0.450 -2.808 10.180 1.00 0.00 C ATOM 1905 O ARG A 125 -1.625 -2.689 10.526 1.00 0.00 O ATOM 1906 CB ARG A 125 0.144 -4.825 8.822 1.00 0.00 C ATOM 1907 CG ARG A 125 -1.063 -5.620 9.294 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.774 -7.113 9.319 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.935 -7.887 9.749 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.988 -9.216 9.719 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -0.950 -9.915 9.283 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -3.081 -9.846 10.128 1.00 0.00 N ATOM 0 H ARG A 125 1.768 -3.242 7.828 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.933 -3.105 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.425 -5.165 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.987 -5.035 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.351 -5.288 10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.909 -5.423 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.468 -7.440 8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.062 -7.309 9.991 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.751 -7.380 10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.107 -9.434 8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.994 -10.934 9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.881 -9.312 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.121 -10.865 10.105 1.00 0.00 H new ATOM 1926 N GLY A 126 0.573 -2.512 10.977 1.00 0.00 N ATOM 1927 CA GLY A 126 0.347 -2.021 12.323 1.00 0.00 C ATOM 1928 C GLY A 126 -0.235 -0.620 12.349 1.00 0.00 C ATOM 1929 O GLY A 126 -1.024 -0.290 13.235 1.00 0.00 O ATOM 0 H GLY A 126 1.554 -2.604 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.329 -2.700 12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.290 -2.028 12.870 1.00 0.00 H new ATOM 1933 N PHE A 127 0.151 0.207 11.381 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.341 1.577 11.307 1.00 0.00 C ATOM 1935 C PHE A 127 -1.838 1.609 11.012 1.00 0.00 C ATOM 1936 O PHE A 127 -2.561 2.471 11.511 1.00 0.00 O ATOM 1937 CB PHE A 127 0.424 2.354 10.231 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.142 3.717 9.947 1.00 0.00 C ATOM 1939 CD1 PHE A 127 0.020 4.753 10.854 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.834 3.962 8.772 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.499 6.006 10.594 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.356 5.214 8.508 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.189 6.238 9.420 1.00 0.00 C ATOM 0 H PHE A 127 0.802 -0.048 10.639 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.176 2.049 12.276 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.463 2.460 10.543 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.426 1.773 9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.558 4.578 11.774 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.967 3.166 8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.365 6.805 11.309 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.894 5.392 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.597 7.217 9.216 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.295 0.663 10.197 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.703 0.582 9.830 1.00 0.00 C ATOM 1955 C ALA A 128 -4.581 0.339 11.052 1.00 0.00 C ATOM 1956 O ALA A 128 -5.781 0.608 11.025 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.915 -0.517 8.801 1.00 0.00 C ATOM 0 H ALA A 128 -1.709 -0.059 9.778 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.993 1.538 9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.971 -0.568 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.326 -0.300 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.600 -1.473 9.220 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.977 -0.167 12.123 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.711 -0.443 13.352 1.00 0.00 C ATOM 1965 C ALA A 129 -5.187 0.849 14.005 1.00 0.00 C ATOM 1966 O ALA A 129 -6.213 0.871 14.686 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.843 -1.237 14.317 1.00 0.00 C ATOM 0 H ALA A 129 -2.983 -0.394 12.164 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.589 -1.037 13.099 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.403 -1.436 15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.555 -2.181 13.855 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.948 -0.663 14.558 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.436 1.925 13.792 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.797 3.208 14.365 1.00 0.00 C ATOM 1975 C GLY A 130 -5.895 3.899 13.581 1.00 0.00 C ATOM 1976 O GLY A 130 -6.384 4.956 13.980 1.00 0.00 O ATOM 0 H GLY A 130 -3.583 1.931 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.124 3.065 15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.917 3.850 14.397 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.283 3.298 12.461 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.330 3.855 11.614 1.00 0.00 C ATOM 1982 C HIS A 131 -8.716 3.458 12.121 1.00 0.00 C ATOM 1983 O HIS A 131 -8.900 2.363 12.654 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.143 3.391 10.167 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.229 4.271 9.373 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.462 5.616 9.177 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -5.072 3.994 8.724 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.490 6.128 8.443 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.634 5.165 8.156 1.00 0.00 N ATOM 0 H HIS A 131 -5.886 2.423 12.119 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.254 4.942 11.651 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.747 2.375 10.167 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.116 3.354 9.677 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.585 3.032 8.665 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.410 7.159 8.131 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.785 5.273 7.602 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.713 4.351 11.962 1.00 0.00 N ATOM 1999 CA PRO A 132 -11.088 4.094 12.410 1.00 0.00 C ATOM 2000 C PRO A 132 -11.753 2.963 11.630 1.00 0.00 C ATOM 2001 O PRO A 132 -12.840 2.508 11.984 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.808 5.420 12.147 1.00 0.00 C ATOM 2003 CG PRO A 132 -11.001 6.089 11.088 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.578 5.677 11.333 1.00 0.00 C ATOM 0 HA PRO A 132 -11.120 3.778 13.453 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.834 5.254 11.817 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.858 6.029 13.050 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -11.330 5.784 10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -11.109 7.172 11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -9.008 5.626 10.405 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -9.062 6.381 11.986 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.093 2.518 10.568 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.618 1.437 9.739 1.00 0.00 C ATOM 2014 C GLU A 133 -10.660 0.256 9.730 1.00 0.00 C ATOM 2015 O GLU A 133 -10.713 -0.593 8.840 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.868 1.929 8.313 1.00 0.00 C ATOM 2017 CG GLU A 133 -13.167 2.702 8.169 1.00 0.00 C ATOM 2018 CD GLU A 133 -13.196 3.581 6.934 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -12.416 4.555 6.880 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -14.002 3.297 6.023 1.00 0.00 O ATOM 0 H GLU A 133 -10.194 2.888 10.260 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.566 1.109 10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.038 2.564 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.884 1.074 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.999 2.000 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.315 3.322 9.053 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.783 0.212 10.730 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.813 -0.868 10.856 1.00 0.00 C ATOM 2029 C ALA A 134 -9.475 -2.221 10.639 1.00 0.00 C ATOM 2030 O ALA A 134 -8.924 -3.089 9.965 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.147 -0.819 12.223 1.00 0.00 C ATOM 0 H ALA A 134 -9.726 0.915 11.466 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.052 -0.735 10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.424 -1.631 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.635 0.136 12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.903 -0.927 13.000 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.659 -2.396 11.218 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.400 -3.642 11.084 1.00 0.00 C ATOM 2039 C ALA A 135 -11.562 -4.044 9.621 1.00 0.00 C ATOM 2040 O ALA A 135 -11.401 -5.212 9.271 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.762 -3.517 11.751 1.00 0.00 C ATOM 0 H ALA A 135 -11.125 -1.688 11.785 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.828 -4.425 11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.307 -4.455 11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.630 -3.293 12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.327 -2.714 11.278 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.886 -3.076 8.770 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.070 -3.349 7.349 1.00 0.00 C ATOM 2049 C ALA A 136 -10.737 -3.534 6.628 1.00 0.00 C ATOM 2050 O ALA A 136 -10.637 -4.312 5.681 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.870 -2.230 6.699 1.00 0.00 C ATOM 0 H ALA A 136 -12.026 -2.102 9.037 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.623 -4.285 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.001 -2.445 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.847 -2.156 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.336 -1.287 6.815 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.715 -2.815 7.082 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.393 -2.885 6.468 1.00 0.00 C ATOM 2059 C ILE A 137 -7.681 -4.215 6.727 1.00 0.00 C ATOM 2060 O ILE A 137 -7.218 -4.864 5.788 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.494 -1.738 6.968 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.093 -0.387 6.568 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.084 -1.887 6.416 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.368 0.797 7.167 1.00 0.00 C ATOM 0 H ILE A 137 -9.777 -2.176 7.875 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.561 -2.795 5.395 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.439 -1.784 8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.078 -0.300 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.138 -0.357 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.463 -1.068 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.663 -2.837 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.115 -1.863 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.847 1.720 6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.405 0.734 8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.329 0.792 6.838 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.594 -4.622 7.991 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.903 -5.861 8.342 1.00 0.00 C ATOM 2078 C TYR A 138 -7.606 -7.078 7.749 1.00 0.00 C ATOM 2079 O TYR A 138 -6.958 -8.061 7.388 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.777 -5.999 9.864 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.902 -6.763 10.524 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.078 -6.126 10.890 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.783 -8.124 10.785 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.107 -6.822 11.500 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.808 -8.826 11.392 1.00 0.00 C ATOM 2086 CZ TYR A 138 -9.966 -8.171 11.747 1.00 0.00 C ATOM 2087 OH TYR A 138 -10.988 -8.866 12.353 1.00 0.00 O ATOM 0 H TYR A 138 -7.990 -4.117 8.784 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.902 -5.814 7.914 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.835 -6.496 10.093 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.726 -5.002 10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.193 -5.070 10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.876 -8.641 10.509 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.016 -6.311 11.781 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.701 -9.883 11.587 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.730 -9.806 12.454 1.00 0.00 H new ATOM 2097 N ARG A 139 -8.929 -7.013 7.649 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.695 -8.117 7.088 1.00 0.00 C ATOM 2099 C ARG A 139 -9.543 -8.136 5.572 1.00 0.00 C ATOM 2100 O ARG A 139 -9.546 -9.196 4.947 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.172 -8.013 7.476 1.00 0.00 C ATOM 2102 CG ARG A 139 -11.903 -6.851 6.827 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.353 -6.789 7.275 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.056 -8.046 7.027 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.219 -8.364 7.588 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.812 -7.520 8.420 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.790 -9.529 7.312 1.00 0.00 N ATOM 0 H ARG A 139 -9.489 -6.214 7.947 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.306 -9.050 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.674 -8.941 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.246 -7.916 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.402 -5.917 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.860 -6.952 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.394 -6.554 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.861 -5.980 6.750 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.631 -8.717 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.376 -6.622 8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.704 -7.768 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.337 -10.180 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.682 -9.774 7.742 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.408 -6.947 4.991 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.235 -6.813 3.552 1.00 0.00 C ATOM 2123 C ALA A 140 -7.912 -7.429 3.114 1.00 0.00 C ATOM 2124 O ALA A 140 -7.792 -7.948 2.004 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.302 -5.349 3.144 1.00 0.00 C ATOM 0 H ALA A 140 -9.415 -6.062 5.498 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.044 -7.348 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.171 -5.266 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.271 -4.937 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.512 -4.794 3.649 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.919 -7.366 3.997 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.603 -7.919 3.710 1.00 0.00 C ATOM 2133 C ILE A 141 -5.441 -9.304 4.325 1.00 0.00 C ATOM 2134 O ILE A 141 -4.472 -10.010 4.042 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.481 -6.993 4.227 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.617 -6.764 5.736 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.510 -5.667 3.485 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.933 -7.819 6.580 1.00 0.00 C ATOM 0 H ILE A 141 -7.003 -6.936 4.918 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.521 -8.001 2.626 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.523 -7.478 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -4.201 -5.788 5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.675 -6.735 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.714 -5.023 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.364 -5.843 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.473 -5.182 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -4.074 -7.588 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -4.365 -8.796 6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -2.867 -7.834 6.351 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.396 -9.685 5.167 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.362 -10.986 5.827 1.00 0.00 C ATOM 2152 C ASP A 142 -6.377 -12.117 4.802 1.00 0.00 C ATOM 2153 O ASP A 142 -5.285 -12.612 4.454 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.549 -11.129 6.780 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.561 -12.467 7.494 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -8.127 -13.431 6.939 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -7.004 -12.550 8.608 1.00 0.00 O ATOM 2158 OXT ASP A 142 -7.481 -12.497 4.356 1.00 0.00 O ATOM 0 H ASP A 142 -7.204 -9.111 5.409 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.437 -11.051 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.517 -10.327 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.477 -11.011 6.220 1.00 0.00 H new TER 2163 ASP A 142