USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1104 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 5 GLN :FLIP amide:sc= -1.15! C(o=-8.1!,f=-1.9!) USER MOD Set 1.2: A 117 LYS NZ :NH3+ -110:sc= -0.787 (180deg=-3.49!) USER MOD Set 2.1: A 32 TYR OH : rot 145:sc= 0.0125 USER MOD Set 2.2: A 34 SER OG : rot 104:sc= -3.68! USER MOD Set 2.3: A 36 HIS : no HD1:sc= -19.8! C(o=-39!,f=-46!) USER MOD Set 2.4: A 45 THR OG1 : rot 166:sc= -0.0619! USER MOD Set 2.5: A 79 TYR OH : rot 30:sc= -0.605! USER MOD Set 2.6: A 84 HIS : no HD1:sc= -14.9! C(o=-39!,f=-43!) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -164:sc= -0.261 (180deg=0) USER MOD Set 3.2: A 81 MET CE :methyl 167:sc= -1.02 (180deg=-1.34) USER MOD Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.298) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.374 (180deg=-1.02) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.321 F(o=-1.4,f=-0.32) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.61 (180deg=-1.45!) USER MOD Single : A 38 CYS SG : rot 180:sc= -3.18! USER MOD Single : A 41 CYS SG : rot -55:sc= 0.405 USER MOD Single : A 51 MET CE :methyl 176:sc= -0.821 (180deg=-0.972) USER MOD Single : A 52 TYR OH : rot 141:sc= 0.402 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 88:sc= -0.845! USER MOD Single : A 68 SER OG : rot 80:sc= -2.09! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -170:sc= 1.1 USER MOD Single : A 76 MET CE :methyl -151:sc= -0.528 (180deg=-2.39!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -143:sc= -0.44 (180deg=-2.15!) USER MOD Single : A 83 SER OG : rot 80:sc= 0.129! USER MOD Single : A 92 TYR OH : rot -81:sc= 0.68 USER MOD Single : A 94 SER OG : rot 165:sc= -0.25 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0906 F(o=-2.3!,f=-0.091) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -62:sc= 1.04 USER MOD Single : A 116 LYS NZ :NH3+ 178:sc= 0.304 (180deg=0.304) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 123 SER OG : rot 138:sc= 0.51 USER MOD Single : A 124 MET CE :methyl 140:sc= -11.6! (180deg=-14.1!) USER MOD Single : A 125 ASN :FLIP amide:sc= -2.07! C(o=-5.8!,f=-2.1!) USER MOD Single : A 131 GLN : amide:sc= -15.3! C(o=-15!,f=-21!) USER MOD Single : A 132 SER OG : rot 93:sc= 0.665 USER MOD Single : A 139 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.23) USER MOD Single : A 140 ASN : amide:sc= -13.4! C(o=-13!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 99.247 -13.835 3.785 1.00 0.00 N ATOM 2 CA MET A 1 98.778 -12.913 4.858 1.00 0.00 C ATOM 3 C MET A 1 99.981 -12.379 5.629 1.00 0.00 C ATOM 4 O MET A 1 99.888 -11.363 6.318 1.00 0.00 O ATOM 5 CB MET A 1 97.846 -13.670 5.806 1.00 0.00 C ATOM 6 CG MET A 1 96.575 -14.075 5.058 1.00 0.00 C ATOM 7 SD MET A 1 96.165 -15.794 5.447 1.00 0.00 S ATOM 8 CE MET A 1 95.846 -15.557 7.213 1.00 0.00 C ATOM 0 H1 MET A 1 98.505 -13.932 3.062 1.00 0.00 H new ATOM 0 H2 MET A 1 100.108 -13.449 3.348 1.00 0.00 H new ATOM 0 H3 MET A 1 99.455 -14.768 4.195 1.00 0.00 H new ATOM 0 HA MET A 1 98.237 -12.077 4.414 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.348 -14.555 6.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.593 -13.043 6.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 95.750 -13.421 5.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.720 -13.959 3.984 1.00 0.00 H new ATOM 0 HE1 MET A 1 95.290 -16.411 7.600 1.00 0.00 H new ATOM 0 HE2 MET A 1 96.793 -15.469 7.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 95.262 -14.648 7.359 1.00 0.00 H new ATOM 20 N GLU A 2 101.110 -13.069 5.506 1.00 0.00 N ATOM 21 CA GLU A 2 102.326 -12.654 6.196 1.00 0.00 C ATOM 22 C GLU A 2 103.477 -12.501 5.207 1.00 0.00 C ATOM 23 O GLU A 2 104.646 -12.522 5.593 1.00 0.00 O ATOM 24 CB GLU A 2 102.699 -13.687 7.262 1.00 0.00 C ATOM 25 CG GLU A 2 101.441 -14.120 8.017 1.00 0.00 C ATOM 26 CD GLU A 2 100.977 -15.483 7.517 1.00 0.00 C ATOM 27 OE1 GLU A 2 101.829 -16.300 7.208 1.00 0.00 O ATOM 28 OE2 GLU A 2 99.776 -15.691 7.451 1.00 0.00 O ATOM 0 H GLU A 2 101.208 -13.912 4.940 1.00 0.00 H new ATOM 0 HA GLU A 2 102.142 -11.691 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 2 103.172 -14.552 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 2 103.424 -13.263 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 2 101.646 -14.166 9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 2 100.650 -13.383 7.876 1.00 0.00 H new ATOM 35 N PHE A 3 103.139 -12.348 3.932 1.00 0.00 N ATOM 36 CA PHE A 3 104.153 -12.192 2.896 1.00 0.00 C ATOM 37 C PHE A 3 104.576 -10.732 2.777 1.00 0.00 C ATOM 38 O PHE A 3 104.295 -9.921 3.659 1.00 0.00 O ATOM 39 CB PHE A 3 103.607 -12.679 1.552 1.00 0.00 C ATOM 40 CG PHE A 3 104.647 -13.528 0.861 1.00 0.00 C ATOM 41 CD1 PHE A 3 105.189 -14.640 1.517 1.00 0.00 C ATOM 42 CD2 PHE A 3 105.070 -13.203 -0.433 1.00 0.00 C ATOM 43 CE1 PHE A 3 106.154 -15.428 0.877 1.00 0.00 C ATOM 44 CE2 PHE A 3 106.034 -13.991 -1.073 1.00 0.00 C ATOM 45 CZ PHE A 3 106.576 -15.104 -0.419 1.00 0.00 C ATOM 0 H PHE A 3 102.177 -12.329 3.592 1.00 0.00 H new ATOM 0 HA PHE A 3 105.022 -12.789 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 3 102.695 -13.256 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 3 103.343 -11.827 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 3 104.863 -14.890 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 3 104.653 -12.344 -0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 3 106.573 -16.285 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 3 106.360 -13.740 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 3 107.319 -15.712 -0.913 1.00 0.00 H new ATOM 55 N ILE A 4 105.254 -10.404 1.681 1.00 0.00 N ATOM 56 CA ILE A 4 105.710 -9.036 1.459 1.00 0.00 C ATOM 57 C ILE A 4 104.589 -8.186 0.872 1.00 0.00 C ATOM 58 O ILE A 4 104.328 -7.077 1.336 1.00 0.00 O ATOM 59 CB ILE A 4 106.907 -9.032 0.507 1.00 0.00 C ATOM 60 CG1 ILE A 4 106.914 -10.327 -0.309 1.00 0.00 C ATOM 61 CG2 ILE A 4 108.204 -8.933 1.314 1.00 0.00 C ATOM 62 CD1 ILE A 4 107.823 -10.158 -1.528 1.00 0.00 C ATOM 0 H ILE A 4 105.498 -11.060 0.939 1.00 0.00 H new ATOM 0 HA ILE A 4 106.008 -8.613 2.418 1.00 0.00 H new ATOM 0 HB ILE A 4 106.832 -8.177 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 4 107.264 -11.155 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 4 105.901 -10.573 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 4 109.056 -8.930 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 4 108.201 -8.011 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 4 108.280 -9.787 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 4 107.828 -11.080 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 4 107.453 -9.341 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 4 108.837 -9.932 -1.197 1.00 0.00 H new ATOM 74 N GLN A 5 103.933 -8.715 -0.153 1.00 0.00 N ATOM 75 CA GLN A 5 102.841 -7.999 -0.802 1.00 0.00 C ATOM 76 C GLN A 5 102.069 -7.160 0.212 1.00 0.00 C ATOM 77 O GLN A 5 101.540 -7.685 1.192 1.00 0.00 O ATOM 78 CB GLN A 5 101.891 -8.994 -1.472 1.00 0.00 C ATOM 79 CG GLN A 5 102.672 -9.863 -2.458 1.00 0.00 C ATOM 80 CD GLN A 5 103.040 -9.049 -3.694 1.00 0.00 C ATOM 81 OE1 GLN A 5 104.261 -8.613 -3.838 1.00 0.00 O flip ATOM 82 NE2 GLN A 5 102.191 -8.803 -4.551 1.00 0.00 N flip ATOM 0 H GLN A 5 104.136 -9.632 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 5 103.265 -7.335 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 5 101.413 -9.620 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 5 101.096 -8.460 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 5 103.575 -10.245 -1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 5 102.074 -10.727 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 5 101.237 -9.145 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 102.442 -8.257 -5.375 1.00 0.00 H new ATOM 91 N GLY A 6 102.010 -5.855 -0.032 1.00 0.00 N ATOM 92 CA GLY A 6 101.300 -4.951 0.866 1.00 0.00 C ATOM 93 C GLY A 6 102.224 -3.847 1.370 1.00 0.00 C ATOM 94 O GLY A 6 101.779 -2.902 2.022 1.00 0.00 O ATOM 0 H GLY A 6 102.442 -5.402 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 6 100.449 -4.510 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 6 100.901 -5.511 1.712 1.00 0.00 H new ATOM 98 N ILE A 7 103.511 -3.973 1.065 1.00 0.00 N ATOM 99 CA ILE A 7 104.487 -2.988 1.490 1.00 0.00 C ATOM 100 C ILE A 7 104.904 -2.105 0.318 1.00 0.00 C ATOM 101 O ILE A 7 104.455 -2.303 -0.811 1.00 0.00 O ATOM 102 CB ILE A 7 105.714 -3.700 2.052 1.00 0.00 C ATOM 103 CG1 ILE A 7 106.267 -4.666 1.002 1.00 0.00 C ATOM 104 CG2 ILE A 7 105.324 -4.480 3.310 1.00 0.00 C ATOM 105 CD1 ILE A 7 107.436 -5.454 1.598 1.00 0.00 C ATOM 0 H ILE A 7 103.898 -4.748 0.526 1.00 0.00 H new ATOM 0 HA ILE A 7 104.038 -2.359 2.259 1.00 0.00 H new ATOM 0 HB ILE A 7 106.476 -2.963 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 7 105.484 -5.349 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 7 106.598 -4.113 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 7 106.202 -4.988 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.931 -3.791 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 7 104.561 -5.217 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 7 107.830 -6.142 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 7 108.221 -4.763 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 7 107.090 -6.018 2.464 1.00 0.00 H new ATOM 117 N LYS A 8 105.767 -1.134 0.593 1.00 0.00 N ATOM 118 CA LYS A 8 106.240 -0.230 -0.446 1.00 0.00 C ATOM 119 C LYS A 8 107.757 -0.317 -0.579 1.00 0.00 C ATOM 120 O LYS A 8 108.472 -0.412 0.418 1.00 0.00 O ATOM 121 CB LYS A 8 105.832 1.208 -0.121 1.00 0.00 C ATOM 122 CG LYS A 8 106.442 1.625 1.219 1.00 0.00 C ATOM 123 CD LYS A 8 105.700 0.926 2.359 1.00 0.00 C ATOM 124 CE LYS A 8 105.240 1.967 3.382 1.00 0.00 C ATOM 125 NZ LYS A 8 104.250 1.349 4.309 1.00 0.00 N ATOM 0 H LYS A 8 106.151 -0.954 1.521 1.00 0.00 H new ATOM 0 HA LYS A 8 105.786 -0.526 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 8 106.170 1.880 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.746 1.287 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 8 107.500 1.364 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.378 2.706 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 8 104.841 0.381 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 8 106.352 0.194 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 8 106.095 2.343 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 8 104.793 2.821 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 103.937 2.056 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 103.430 1.011 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 104.691 0.548 4.804 1.00 0.00 H new ATOM 139 N LEU A 9 108.241 -0.287 -1.816 1.00 0.00 N ATOM 140 CA LEU A 9 109.676 -0.364 -2.061 1.00 0.00 C ATOM 141 C LEU A 9 110.205 0.963 -2.586 1.00 0.00 C ATOM 142 O LEU A 9 109.450 1.921 -2.761 1.00 0.00 O ATOM 143 CB LEU A 9 109.987 -1.461 -3.080 1.00 0.00 C ATOM 144 CG LEU A 9 109.116 -2.692 -2.819 1.00 0.00 C ATOM 145 CD1 LEU A 9 109.659 -3.873 -3.626 1.00 0.00 C ATOM 146 CD2 LEU A 9 109.144 -3.047 -1.329 1.00 0.00 C ATOM 0 H LEU A 9 107.668 -0.211 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 9 110.163 -0.597 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 9 109.810 -1.090 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 9 111.041 -1.734 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 9 108.090 -2.475 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 9 109.042 -4.753 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 9 109.637 -3.629 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 9 110.685 -4.080 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 9 108.522 -3.924 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 9 110.169 -3.262 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 9 108.762 -2.208 -0.748 1.00 0.00 H new ATOM 158 N VAL A 10 111.510 1.014 -2.836 1.00 0.00 N ATOM 159 CA VAL A 10 112.131 2.232 -3.338 1.00 0.00 C ATOM 160 C VAL A 10 112.764 1.996 -4.706 1.00 0.00 C ATOM 161 O VAL A 10 113.537 1.055 -4.890 1.00 0.00 O ATOM 162 CB VAL A 10 113.199 2.711 -2.357 1.00 0.00 C ATOM 163 CG1 VAL A 10 114.247 3.536 -3.105 1.00 0.00 C ATOM 164 CG2 VAL A 10 112.545 3.574 -1.277 1.00 0.00 C ATOM 0 H VAL A 10 112.152 0.233 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 10 111.358 2.993 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 10 113.680 1.850 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 10 115.009 3.878 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 10 114.712 2.921 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 10 113.768 4.398 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 10 113.305 3.917 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 10 112.064 4.435 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 10 111.798 2.986 -0.744 1.00 0.00 H new ATOM 174 N LYS A 11 112.439 2.863 -5.660 1.00 0.00 N ATOM 175 CA LYS A 11 112.989 2.746 -7.006 1.00 0.00 C ATOM 176 C LYS A 11 114.342 3.447 -7.085 1.00 0.00 C ATOM 177 O LYS A 11 114.544 4.496 -6.469 1.00 0.00 O ATOM 178 CB LYS A 11 112.030 3.370 -8.022 1.00 0.00 C ATOM 179 CG LYS A 11 110.620 3.421 -7.430 1.00 0.00 C ATOM 180 CD LYS A 11 109.650 3.982 -8.472 1.00 0.00 C ATOM 181 CE LYS A 11 109.384 2.924 -9.544 1.00 0.00 C ATOM 182 NZ LYS A 11 109.967 3.373 -10.841 1.00 0.00 N ATOM 0 H LYS A 11 111.802 3.649 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 11 113.120 1.689 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 11 112.363 4.375 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 11 112.028 2.786 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.306 2.423 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 11 110.611 4.045 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 11 108.715 4.274 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.068 4.879 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 11 109.822 1.971 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 108.312 2.762 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.786 2.654 -11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 109.529 4.272 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.993 3.506 -10.733 1.00 0.00 H new ATOM 196 N LYS A 12 115.263 2.862 -7.844 1.00 0.00 N ATOM 197 CA LYS A 12 116.596 3.434 -7.993 1.00 0.00 C ATOM 198 C LYS A 12 116.515 4.946 -8.162 1.00 0.00 C ATOM 199 O LYS A 12 117.448 5.671 -7.813 1.00 0.00 O ATOM 200 CB LYS A 12 117.294 2.819 -9.207 1.00 0.00 C ATOM 201 CG LYS A 12 116.247 2.255 -10.169 1.00 0.00 C ATOM 202 CD LYS A 12 116.923 1.845 -11.478 1.00 0.00 C ATOM 203 CE LYS A 12 115.864 1.361 -12.471 1.00 0.00 C ATOM 204 NZ LYS A 12 116.136 1.947 -13.812 1.00 0.00 N ATOM 0 H LYS A 12 115.112 1.997 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 12 117.169 3.212 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 117.898 3.572 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 12 117.972 2.028 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 12 115.751 1.395 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 12 115.477 3.002 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 12 117.470 2.690 -11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 12 117.650 1.055 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 12 115.875 0.273 -12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 12 114.870 1.652 -12.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 115.292 1.849 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 116.373 2.955 -13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 116.934 1.447 -14.254 1.00 0.00 H new ATOM 218 N ASN A 13 115.395 5.420 -8.696 1.00 0.00 N ATOM 219 CA ASN A 13 115.206 6.850 -8.900 1.00 0.00 C ATOM 220 C ASN A 13 114.813 7.522 -7.589 1.00 0.00 C ATOM 221 O ASN A 13 114.177 8.576 -7.585 1.00 0.00 O ATOM 222 CB ASN A 13 114.118 7.091 -9.948 1.00 0.00 C ATOM 223 CG ASN A 13 114.754 7.329 -11.314 1.00 0.00 C ATOM 224 OD1 ASN A 13 115.715 6.652 -11.678 1.00 0.00 O ATOM 225 ND2 ASN A 13 114.271 8.257 -12.095 1.00 0.00 N ATOM 0 H ASN A 13 114.610 4.840 -8.993 1.00 0.00 H new ATOM 0 HA ASN A 13 116.144 7.279 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 13 113.449 6.232 -9.994 1.00 0.00 H new ATOM 0 HB3 ASN A 13 113.513 7.952 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 13 114.690 8.423 -13.010 1.00 0.00 H new ATOM 0 HD22 ASN A 13 113.474 8.816 -11.790 1.00 0.00 H new ATOM 232 N ARG A 14 115.192 6.899 -6.477 1.00 0.00 N ATOM 233 CA ARG A 14 114.872 7.441 -5.162 1.00 0.00 C ATOM 234 C ARG A 14 113.362 7.592 -5.006 1.00 0.00 C ATOM 235 O ARG A 14 112.888 8.406 -4.213 1.00 0.00 O ATOM 236 CB ARG A 14 115.546 8.801 -4.978 1.00 0.00 C ATOM 237 CG ARG A 14 117.015 8.597 -4.604 1.00 0.00 C ATOM 238 CD ARG A 14 117.876 9.627 -5.335 1.00 0.00 C ATOM 239 NE ARG A 14 119.179 9.746 -4.690 1.00 0.00 N ATOM 240 CZ ARG A 14 120.259 10.095 -5.380 1.00 0.00 C ATOM 241 NH1 ARG A 14 120.166 10.337 -6.660 1.00 0.00 N ATOM 242 NH2 ARG A 14 121.413 10.194 -4.781 1.00 0.00 N ATOM 0 H ARG A 14 115.717 6.025 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 14 115.240 6.752 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 14 115.471 9.383 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 14 115.037 9.368 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 14 117.144 8.699 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 14 117.332 7.588 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.004 9.331 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 14 117.374 10.595 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 14 119.262 9.558 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 14 119.264 10.258 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 14 120.995 10.605 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 14 121.487 10.003 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 14 122.242 10.462 -5.312 1.00 0.00 H new ATOM 256 N CYS A 15 112.614 6.807 -5.772 1.00 0.00 N ATOM 257 CA CYS A 15 111.158 6.863 -5.720 1.00 0.00 C ATOM 258 C CYS A 15 110.609 5.772 -4.805 1.00 0.00 C ATOM 259 O CYS A 15 111.349 4.902 -4.351 1.00 0.00 O ATOM 260 CB CYS A 15 110.578 6.692 -7.124 1.00 0.00 C ATOM 261 SG CYS A 15 110.049 8.304 -7.758 1.00 0.00 S ATOM 0 H CYS A 15 112.989 6.127 -6.434 1.00 0.00 H new ATOM 0 HA CYS A 15 110.867 7.835 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 15 111.325 6.256 -7.787 1.00 0.00 H new ATOM 0 HB3 CYS A 15 109.733 6.004 -7.099 1.00 0.00 H new ATOM 0 HG CYS A 15 109.558 8.160 -8.953 1.00 0.00 H new ATOM 267 N GLU A 16 109.307 5.826 -4.542 1.00 0.00 N ATOM 268 CA GLU A 16 108.667 4.837 -3.684 1.00 0.00 C ATOM 269 C GLU A 16 107.412 4.286 -4.354 1.00 0.00 C ATOM 270 O GLU A 16 106.580 5.047 -4.852 1.00 0.00 O ATOM 271 CB GLU A 16 108.297 5.470 -2.341 1.00 0.00 C ATOM 272 CG GLU A 16 109.570 5.902 -1.611 1.00 0.00 C ATOM 273 CD GLU A 16 109.310 7.180 -0.822 1.00 0.00 C ATOM 274 OE1 GLU A 16 108.790 7.079 0.278 1.00 0.00 O ATOM 275 OE2 GLU A 16 109.634 8.241 -1.327 1.00 0.00 O ATOM 0 H GLU A 16 108.678 6.540 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 16 109.367 4.019 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 16 107.647 6.330 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 16 107.740 4.757 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 16 109.900 5.110 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 16 110.373 6.065 -2.329 1.00 0.00 H new ATOM 282 N VAL A 17 107.281 2.962 -4.372 1.00 0.00 N ATOM 283 CA VAL A 17 106.123 2.331 -4.994 1.00 0.00 C ATOM 284 C VAL A 17 105.629 1.153 -4.159 1.00 0.00 C ATOM 285 O VAL A 17 106.269 0.757 -3.187 1.00 0.00 O ATOM 286 CB VAL A 17 106.475 1.854 -6.402 1.00 0.00 C ATOM 287 CG1 VAL A 17 105.767 2.738 -7.432 1.00 0.00 C ATOM 288 CG2 VAL A 17 107.988 1.944 -6.612 1.00 0.00 C ATOM 0 H VAL A 17 107.955 2.312 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 17 105.326 3.072 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 17 106.152 0.820 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 106.018 2.398 -8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 17 104.689 2.675 -7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 17 106.090 3.772 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 17 108.237 1.603 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 108.312 2.978 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 17 108.495 1.315 -5.880 1.00 0.00 H new ATOM 298 N ASN A 18 104.482 0.602 -4.547 1.00 0.00 N ATOM 299 CA ASN A 18 103.903 -0.528 -3.828 1.00 0.00 C ATOM 300 C ASN A 18 104.422 -1.849 -4.391 1.00 0.00 C ATOM 301 O ASN A 18 103.974 -2.302 -5.445 1.00 0.00 O ATOM 302 CB ASN A 18 102.377 -0.489 -3.940 1.00 0.00 C ATOM 303 CG ASN A 18 101.752 -0.569 -2.551 1.00 0.00 C ATOM 304 OD1 ASN A 18 101.589 -1.660 -2.005 1.00 0.00 O ATOM 305 ND2 ASN A 18 101.388 0.528 -1.945 1.00 0.00 N ATOM 0 H ASN A 18 103.938 0.917 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 18 104.195 -0.455 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 18 102.064 0.429 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 18 102.027 -1.319 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 18 100.967 0.482 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 18 101.524 1.431 -2.399 1.00 0.00 H new ATOM 312 N ALA A 19 105.366 -2.462 -3.684 1.00 0.00 N ATOM 313 CA ALA A 19 105.940 -3.732 -4.121 1.00 0.00 C ATOM 314 C ALA A 19 104.883 -4.610 -4.785 1.00 0.00 C ATOM 315 O ALA A 19 105.206 -5.482 -5.592 1.00 0.00 O ATOM 316 CB ALA A 19 106.539 -4.472 -2.922 1.00 0.00 C ATOM 0 H ALA A 19 105.749 -2.103 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 19 106.722 -3.519 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 19 106.965 -5.418 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 19 107.320 -3.861 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 19 105.758 -4.665 -2.186 1.00 0.00 H new ATOM 322 N ASN A 20 103.621 -4.381 -4.438 1.00 0.00 N ATOM 323 CA ASN A 20 102.529 -5.163 -5.006 1.00 0.00 C ATOM 324 C ASN A 20 102.597 -5.147 -6.528 1.00 0.00 C ATOM 325 O ASN A 20 102.690 -6.194 -7.168 1.00 0.00 O ATOM 326 CB ASN A 20 101.186 -4.594 -4.546 1.00 0.00 C ATOM 327 CG ASN A 20 100.460 -5.610 -3.671 1.00 0.00 C ATOM 328 OD1 ASN A 20 100.554 -5.525 -2.372 1.00 0.00 O flip ATOM 329 ND2 ASN A 20 99.788 -6.505 -4.185 1.00 0.00 N flip ATOM 0 H ASN A 20 103.330 -3.666 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 20 102.624 -6.192 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 20 101.345 -3.670 -3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 20 100.573 -4.343 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 20 99.716 -6.570 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 20 99.304 -7.182 -3.595 1.00 0.00 H new ATOM 336 N GLU A 21 102.546 -3.950 -7.099 1.00 0.00 N ATOM 337 CA GLU A 21 102.600 -3.803 -8.549 1.00 0.00 C ATOM 338 C GLU A 21 104.024 -3.504 -9.004 1.00 0.00 C ATOM 339 O GLU A 21 104.399 -3.801 -10.139 1.00 0.00 O ATOM 340 CB GLU A 21 101.673 -2.670 -8.993 1.00 0.00 C ATOM 341 CG GLU A 21 102.050 -1.383 -8.257 1.00 0.00 C ATOM 342 CD GLU A 21 101.902 -0.186 -9.191 1.00 0.00 C ATOM 343 OE1 GLU A 21 101.113 -0.277 -10.118 1.00 0.00 O ATOM 344 OE2 GLU A 21 102.578 0.804 -8.965 1.00 0.00 O ATOM 0 H GLU A 21 102.468 -3.072 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 21 102.274 -4.739 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 21 101.752 -2.522 -10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 21 100.636 -2.931 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 21 101.412 -1.254 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 21 103.076 -1.448 -7.896 1.00 0.00 H new ATOM 351 N ALA A 22 104.811 -2.914 -8.113 1.00 0.00 N ATOM 352 CA ALA A 22 106.192 -2.575 -8.433 1.00 0.00 C ATOM 353 C ALA A 22 107.015 -3.836 -8.680 1.00 0.00 C ATOM 354 O ALA A 22 107.968 -3.823 -9.459 1.00 0.00 O ATOM 355 CB ALA A 22 106.810 -1.776 -7.284 1.00 0.00 C ATOM 0 H ALA A 22 104.519 -2.662 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 22 106.197 -1.972 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 22 107.842 -1.526 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 22 106.241 -0.859 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 22 106.788 -2.373 -6.372 1.00 0.00 H new ATOM 361 N LEU A 23 106.643 -4.922 -8.012 1.00 0.00 N ATOM 362 CA LEU A 23 107.360 -6.183 -8.168 1.00 0.00 C ATOM 363 C LEU A 23 107.117 -6.771 -9.556 1.00 0.00 C ATOM 364 O LEU A 23 107.746 -7.756 -9.941 1.00 0.00 O ATOM 365 CB LEU A 23 106.905 -7.178 -7.099 1.00 0.00 C ATOM 366 CG LEU A 23 107.596 -6.854 -5.774 1.00 0.00 C ATOM 367 CD1 LEU A 23 106.979 -7.696 -4.655 1.00 0.00 C ATOM 368 CD2 LEU A 23 109.090 -7.174 -5.887 1.00 0.00 C ATOM 0 H LEU A 23 105.857 -4.956 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 23 108.427 -5.990 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 23 105.823 -7.129 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 23 107.146 -8.195 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 23 107.465 -5.796 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 23 107.472 -7.464 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 105.916 -7.470 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 23 107.109 -8.754 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 23 109.584 -6.943 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 23 109.219 -8.232 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 23 109.531 -6.575 -6.683 1.00 0.00 H new ATOM 380 N LYS A 24 106.204 -6.156 -10.300 1.00 0.00 N ATOM 381 CA LYS A 24 105.885 -6.623 -11.646 1.00 0.00 C ATOM 382 C LYS A 24 106.183 -8.113 -11.788 1.00 0.00 C ATOM 383 O LYS A 24 105.289 -8.947 -11.652 1.00 0.00 O ATOM 384 CB LYS A 24 106.697 -5.835 -12.675 1.00 0.00 C ATOM 385 CG LYS A 24 106.394 -6.361 -14.081 1.00 0.00 C ATOM 386 CD LYS A 24 107.696 -6.796 -14.756 1.00 0.00 C ATOM 387 CE LYS A 24 108.595 -5.575 -14.966 1.00 0.00 C ATOM 388 NZ LYS A 24 109.254 -5.667 -16.299 1.00 0.00 N ATOM 0 H LYS A 24 105.674 -5.338 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 24 104.821 -6.464 -11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 24 106.452 -4.775 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 24 107.762 -5.929 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 24 105.703 -7.202 -14.025 1.00 0.00 H new ATOM 0 HG3 LYS A 24 105.906 -5.587 -14.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 108.208 -7.536 -14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 24 107.481 -7.271 -15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 24 108.005 -4.661 -14.902 1.00 0.00 H new ATOM 0 HE3 LYS A 24 109.348 -5.524 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 109.865 -4.838 -16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 109.829 -6.532 -16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 108.529 -5.695 -17.044 1.00 0.00 H new ATOM 402 N ASP A 25 107.442 -8.440 -12.066 1.00 0.00 N ATOM 403 CA ASP A 25 107.840 -9.835 -12.225 1.00 0.00 C ATOM 404 C ASP A 25 106.852 -10.573 -13.117 1.00 0.00 C ATOM 405 O ASP A 25 105.842 -11.094 -12.642 1.00 0.00 O ATOM 406 CB ASP A 25 107.904 -10.519 -10.858 1.00 0.00 C ATOM 407 CG ASP A 25 106.624 -10.245 -10.075 1.00 0.00 C ATOM 408 OD1 ASP A 25 105.596 -10.781 -10.453 1.00 0.00 O ATOM 409 OD2 ASP A 25 106.692 -9.506 -9.107 1.00 0.00 O ATOM 0 H ASP A 25 108.198 -7.765 -12.185 1.00 0.00 H new ATOM 0 HA ASP A 25 108.825 -9.862 -12.691 1.00 0.00 H new ATOM 0 HB2 ASP A 25 108.039 -11.593 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 25 108.766 -10.154 -10.300 1.00 0.00 H new ATOM 414 N LYS A 26 107.151 -10.621 -14.411 1.00 0.00 N ATOM 415 CA LYS A 26 106.279 -11.307 -15.352 1.00 0.00 C ATOM 416 C LYS A 26 105.701 -12.558 -14.704 1.00 0.00 C ATOM 417 O LYS A 26 104.676 -13.080 -15.142 1.00 0.00 O ATOM 418 CB LYS A 26 107.059 -11.693 -16.610 1.00 0.00 C ATOM 419 CG LYS A 26 106.081 -12.115 -17.708 1.00 0.00 C ATOM 420 CD LYS A 26 106.379 -11.330 -18.987 1.00 0.00 C ATOM 421 CE LYS A 26 105.743 -12.042 -20.183 1.00 0.00 C ATOM 422 NZ LYS A 26 104.601 -12.876 -19.714 1.00 0.00 N ATOM 0 H LYS A 26 107.981 -10.198 -14.827 1.00 0.00 H new ATOM 0 HA LYS A 26 105.466 -10.636 -15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 26 107.662 -10.851 -16.949 1.00 0.00 H new ATOM 0 HB3 LYS A 26 107.747 -12.509 -16.388 1.00 0.00 H new ATOM 0 HG2 LYS A 26 106.169 -13.185 -17.897 1.00 0.00 H new ATOM 0 HG3 LYS A 26 105.056 -11.931 -17.387 1.00 0.00 H new ATOM 0 HD2 LYS A 26 105.988 -10.316 -18.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 107.456 -11.245 -19.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 105.397 -11.311 -20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 26 106.483 -12.667 -20.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 104.007 -13.140 -20.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 104.964 -13.736 -19.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 104.033 -12.335 -19.031 1.00 0.00 H new ATOM 436 N ASP A 27 106.366 -13.030 -13.653 1.00 0.00 N ATOM 437 CA ASP A 27 105.906 -14.216 -12.947 1.00 0.00 C ATOM 438 C ASP A 27 107.027 -14.828 -12.109 1.00 0.00 C ATOM 439 O ASP A 27 106.825 -15.847 -11.449 1.00 0.00 O ATOM 440 CB ASP A 27 105.395 -15.253 -13.949 1.00 0.00 C ATOM 441 CG ASP A 27 105.494 -16.652 -13.351 1.00 0.00 C ATOM 442 OD1 ASP A 27 104.755 -16.932 -12.422 1.00 0.00 O ATOM 443 OD2 ASP A 27 106.309 -17.424 -13.831 1.00 0.00 O ATOM 0 H ASP A 27 107.217 -12.612 -13.276 1.00 0.00 H new ATOM 0 HA ASP A 27 105.098 -13.919 -12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 27 104.361 -15.035 -14.214 1.00 0.00 H new ATOM 0 HB3 ASP A 27 105.978 -15.200 -14.868 1.00 0.00 H new ATOM 448 N ILE A 28 108.211 -14.217 -12.137 1.00 0.00 N ATOM 449 CA ILE A 28 109.341 -14.738 -11.373 1.00 0.00 C ATOM 450 C ILE A 28 110.032 -13.616 -10.601 1.00 0.00 C ATOM 451 O ILE A 28 110.001 -12.458 -11.012 1.00 0.00 O ATOM 452 CB ILE A 28 110.344 -15.399 -12.324 1.00 0.00 C ATOM 453 CG1 ILE A 28 109.695 -16.635 -12.957 1.00 0.00 C ATOM 454 CG2 ILE A 28 111.606 -15.808 -11.555 1.00 0.00 C ATOM 455 CD1 ILE A 28 110.671 -17.813 -12.919 1.00 0.00 C ATOM 0 H ILE A 28 108.410 -13.372 -12.673 1.00 0.00 H new ATOM 0 HA ILE A 28 108.969 -15.474 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 28 110.625 -14.692 -13.105 1.00 0.00 H new ATOM 0 HG12 ILE A 28 108.781 -16.891 -12.421 1.00 0.00 H new ATOM 0 HG13 ILE A 28 109.411 -16.420 -13.987 1.00 0.00 H new ATOM 0 HG21 ILE A 28 112.313 -16.277 -12.239 1.00 0.00 H new ATOM 0 HG22 ILE A 28 112.063 -14.924 -11.110 1.00 0.00 H new ATOM 0 HG23 ILE A 28 111.340 -16.514 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 28 110.203 -18.688 -13.370 1.00 0.00 H new ATOM 0 HD12 ILE A 28 111.573 -17.556 -13.475 1.00 0.00 H new ATOM 0 HD13 ILE A 28 110.933 -18.035 -11.885 1.00 0.00 H new ATOM 467 N ILE A 29 110.659 -13.971 -9.485 1.00 0.00 N ATOM 468 CA ILE A 29 111.359 -12.985 -8.670 1.00 0.00 C ATOM 469 C ILE A 29 112.735 -13.507 -8.269 1.00 0.00 C ATOM 470 O ILE A 29 112.944 -14.715 -8.154 1.00 0.00 O ATOM 471 CB ILE A 29 110.537 -12.659 -7.420 1.00 0.00 C ATOM 472 CG1 ILE A 29 109.931 -11.260 -7.564 1.00 0.00 C ATOM 473 CG2 ILE A 29 111.435 -12.696 -6.181 1.00 0.00 C ATOM 474 CD1 ILE A 29 108.630 -11.182 -6.768 1.00 0.00 C ATOM 0 H ILE A 29 110.697 -14.925 -9.126 1.00 0.00 H new ATOM 0 HA ILE A 29 111.489 -12.076 -9.257 1.00 0.00 H new ATOM 0 HB ILE A 29 109.743 -13.397 -7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 29 110.635 -10.509 -7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 29 109.740 -11.041 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 29 110.843 -12.463 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 29 111.869 -13.690 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 29 112.233 -11.961 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 29 108.200 -10.186 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 29 107.926 -11.923 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 29 108.834 -11.382 -5.716 1.00 0.00 H new ATOM 486 N GLY A 30 113.670 -12.589 -8.054 1.00 0.00 N ATOM 487 CA GLY A 30 115.023 -12.964 -7.664 1.00 0.00 C ATOM 488 C GLY A 30 115.412 -12.282 -6.360 1.00 0.00 C ATOM 489 O GLY A 30 115.017 -11.146 -6.101 1.00 0.00 O ATOM 0 H GLY A 30 113.517 -11.584 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 115.087 -14.046 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 30 115.725 -12.685 -8.450 1.00 0.00 H new ATOM 493 N PHE A 31 116.182 -12.983 -5.537 1.00 0.00 N ATOM 494 CA PHE A 31 116.610 -12.429 -4.259 1.00 0.00 C ATOM 495 C PHE A 31 118.129 -12.429 -4.150 1.00 0.00 C ATOM 496 O PHE A 31 118.760 -13.486 -4.135 1.00 0.00 O ATOM 497 CB PHE A 31 116.017 -13.244 -3.113 1.00 0.00 C ATOM 498 CG PHE A 31 114.563 -12.880 -2.931 1.00 0.00 C ATOM 499 CD1 PHE A 31 114.210 -11.778 -2.142 1.00 0.00 C ATOM 500 CD2 PHE A 31 113.567 -13.646 -3.549 1.00 0.00 C ATOM 501 CE1 PHE A 31 112.861 -11.443 -1.973 1.00 0.00 C ATOM 502 CE2 PHE A 31 112.219 -13.311 -3.379 1.00 0.00 C ATOM 503 CZ PHE A 31 111.866 -12.209 -2.591 1.00 0.00 C ATOM 0 H PHE A 31 116.520 -13.926 -5.729 1.00 0.00 H new ATOM 0 HA PHE A 31 116.255 -11.400 -4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 31 116.112 -14.309 -3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 31 116.568 -13.051 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 31 114.978 -11.187 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 31 113.839 -14.496 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 31 112.588 -10.593 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 31 111.451 -13.902 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 31 110.826 -11.950 -2.460 1.00 0.00 H new ATOM 513 N TYR A 32 118.708 -11.237 -4.070 1.00 0.00 N ATOM 514 CA TYR A 32 120.157 -11.112 -3.956 1.00 0.00 C ATOM 515 C TYR A 32 120.554 -10.772 -2.524 1.00 0.00 C ATOM 516 O TYR A 32 120.116 -9.761 -1.975 1.00 0.00 O ATOM 517 CB TYR A 32 120.664 -10.020 -4.901 1.00 0.00 C ATOM 518 CG TYR A 32 122.165 -9.912 -4.788 1.00 0.00 C ATOM 519 CD1 TYR A 32 122.988 -10.717 -5.585 1.00 0.00 C ATOM 520 CD2 TYR A 32 122.734 -9.006 -3.885 1.00 0.00 C ATOM 521 CE1 TYR A 32 124.380 -10.616 -5.479 1.00 0.00 C ATOM 522 CE2 TYR A 32 124.126 -8.905 -3.779 1.00 0.00 C ATOM 523 CZ TYR A 32 124.949 -9.710 -4.576 1.00 0.00 C ATOM 524 OH TYR A 32 126.322 -9.610 -4.472 1.00 0.00 O ATOM 0 H TYR A 32 118.203 -10.351 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 32 120.607 -12.066 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 32 120.382 -10.253 -5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 32 120.201 -9.065 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.549 -11.416 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 32 122.099 -8.385 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 32 125.015 -11.237 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 32 124.565 -8.206 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 32 126.570 -8.679 -4.293 1.00 0.00 H new ATOM 534 N PHE A 33 121.383 -11.618 -1.921 1.00 0.00 N ATOM 535 CA PHE A 33 121.830 -11.391 -0.551 1.00 0.00 C ATOM 536 C PHE A 33 123.349 -11.287 -0.497 1.00 0.00 C ATOM 537 O PHE A 33 124.057 -12.246 -0.807 1.00 0.00 O ATOM 538 CB PHE A 33 121.369 -12.539 0.349 1.00 0.00 C ATOM 539 CG PHE A 33 119.868 -12.669 0.279 1.00 0.00 C ATOM 540 CD1 PHE A 33 119.056 -11.568 0.566 1.00 0.00 C ATOM 541 CD2 PHE A 33 119.290 -13.892 -0.077 1.00 0.00 C ATOM 542 CE1 PHE A 33 117.662 -11.688 0.497 1.00 0.00 C ATOM 543 CE2 PHE A 33 117.898 -14.013 -0.144 1.00 0.00 C ATOM 544 CZ PHE A 33 117.084 -12.913 0.141 1.00 0.00 C ATOM 0 H PHE A 33 121.757 -12.462 -2.356 1.00 0.00 H new ATOM 0 HA PHE A 33 121.395 -10.456 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 33 121.839 -13.471 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 33 121.680 -12.355 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 33 119.504 -10.624 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 33 119.918 -14.742 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 33 117.034 -10.837 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 33 117.451 -14.958 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 33 116.010 -13.008 0.087 1.00 0.00 H new ATOM 554 N SER A 34 123.845 -10.120 -0.101 1.00 0.00 N ATOM 555 CA SER A 34 125.284 -9.907 -0.011 1.00 0.00 C ATOM 556 C SER A 34 125.624 -8.428 -0.155 1.00 0.00 C ATOM 557 O SER A 34 126.024 -7.976 -1.228 1.00 0.00 O ATOM 558 CB SER A 34 125.997 -10.703 -1.104 1.00 0.00 C ATOM 559 OG SER A 34 125.178 -10.742 -2.265 1.00 0.00 O ATOM 0 H SER A 34 123.278 -9.314 0.161 1.00 0.00 H new ATOM 0 HA SER A 34 125.619 -10.248 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 34 126.957 -10.243 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 34 126.204 -11.715 -0.757 1.00 0.00 H new ATOM 0 HG SER A 34 125.526 -10.114 -2.932 1.00 0.00 H new ATOM 565 N ALA A 35 125.468 -7.679 0.933 1.00 0.00 N ATOM 566 CA ALA A 35 125.770 -6.254 0.915 1.00 0.00 C ATOM 567 C ALA A 35 126.815 -5.949 -0.150 1.00 0.00 C ATOM 568 O ALA A 35 127.861 -6.592 -0.209 1.00 0.00 O ATOM 569 CB ALA A 35 126.285 -5.818 2.286 1.00 0.00 C ATOM 0 H ALA A 35 125.137 -8.033 1.831 1.00 0.00 H new ATOM 0 HA ALA A 35 124.859 -5.704 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 35 126.510 -4.752 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 35 125.524 -6.016 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 35 127.190 -6.375 2.529 1.00 0.00 H new ATOM 575 N HIS A 36 126.520 -4.973 -0.999 1.00 0.00 N ATOM 576 CA HIS A 36 127.440 -4.606 -2.066 1.00 0.00 C ATOM 577 C HIS A 36 128.428 -3.542 -1.601 1.00 0.00 C ATOM 578 O HIS A 36 129.313 -3.140 -2.356 1.00 0.00 O ATOM 579 CB HIS A 36 126.657 -4.082 -3.271 1.00 0.00 C ATOM 580 CG HIS A 36 126.044 -5.237 -4.013 1.00 0.00 C ATOM 581 ND1 HIS A 36 124.684 -5.315 -4.270 1.00 0.00 N ATOM 582 CD2 HIS A 36 126.594 -6.370 -4.560 1.00 0.00 C ATOM 583 CE1 HIS A 36 124.463 -6.458 -4.944 1.00 0.00 C ATOM 584 NE2 HIS A 36 125.593 -7.140 -5.148 1.00 0.00 N ATOM 0 H HIS A 36 125.659 -4.426 -0.970 1.00 0.00 H new ATOM 0 HA HIS A 36 128.000 -5.497 -2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 36 125.879 -3.394 -2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 36 127.318 -3.522 -3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 36 127.643 -6.625 -4.538 1.00 0.00 H new ATOM 0 HE1 HIS A 36 123.490 -6.785 -5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 36 125.700 -8.032 -5.630 1.00 0.00 H new ATOM 593 N TRP A 37 128.275 -3.076 -0.364 1.00 0.00 N ATOM 594 CA TRP A 37 129.172 -2.050 0.151 1.00 0.00 C ATOM 595 C TRP A 37 130.004 -2.555 1.329 1.00 0.00 C ATOM 596 O TRP A 37 131.143 -2.124 1.515 1.00 0.00 O ATOM 597 CB TRP A 37 128.374 -0.817 0.574 1.00 0.00 C ATOM 598 CG TRP A 37 127.575 -1.121 1.799 1.00 0.00 C ATOM 599 CD1 TRP A 37 126.242 -1.347 1.819 1.00 0.00 C ATOM 600 CD2 TRP A 37 128.030 -1.231 3.179 1.00 0.00 C ATOM 601 NE1 TRP A 37 125.848 -1.579 3.123 1.00 0.00 N ATOM 602 CE2 TRP A 37 126.914 -1.523 3.997 1.00 0.00 C ATOM 603 CE3 TRP A 37 129.289 -1.106 3.794 1.00 0.00 C ATOM 604 CZ2 TRP A 37 127.041 -1.686 5.376 1.00 0.00 C ATOM 605 CZ3 TRP A 37 129.420 -1.271 5.182 1.00 0.00 C ATOM 606 CH2 TRP A 37 128.298 -1.560 5.971 1.00 0.00 C ATOM 0 H TRP A 37 127.554 -3.386 0.287 1.00 0.00 H new ATOM 0 HA TRP A 37 129.859 -1.786 -0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 37 129.051 0.015 0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 37 127.712 -0.507 -0.234 1.00 0.00 H new ATOM 0 HD1 TRP A 37 125.592 -1.346 0.957 1.00 0.00 H new ATOM 0 HE1 TRP A 37 124.886 -1.769 3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 37 130.159 -0.882 3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 126.173 -1.908 5.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 130.391 -1.175 5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 37 128.406 -1.685 7.038 1.00 0.00 H new ATOM 617 N CYS A 38 129.443 -3.456 2.131 1.00 0.00 N ATOM 618 CA CYS A 38 130.174 -3.974 3.283 1.00 0.00 C ATOM 619 C CYS A 38 131.186 -5.046 2.861 1.00 0.00 C ATOM 620 O CYS A 38 132.393 -4.800 2.893 1.00 0.00 O ATOM 621 CB CYS A 38 129.200 -4.530 4.327 1.00 0.00 C ATOM 622 SG CYS A 38 130.021 -5.819 5.298 1.00 0.00 S ATOM 0 H CYS A 38 128.504 -3.836 2.009 1.00 0.00 H new ATOM 0 HA CYS A 38 130.730 -3.150 3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 38 128.858 -3.729 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 38 128.317 -4.938 3.835 1.00 0.00 H new ATOM 0 HG CYS A 38 129.194 -6.288 6.184 1.00 0.00 H new ATOM 628 N PRO A 39 130.740 -6.215 2.467 1.00 0.00 N ATOM 629 CA PRO A 39 131.655 -7.315 2.034 1.00 0.00 C ATOM 630 C PRO A 39 132.231 -7.072 0.641 1.00 0.00 C ATOM 631 O PRO A 39 131.734 -6.232 -0.110 1.00 0.00 O ATOM 632 CB PRO A 39 130.752 -8.546 2.035 1.00 0.00 C ATOM 633 CG PRO A 39 129.391 -8.016 1.743 1.00 0.00 C ATOM 634 CD PRO A 39 129.327 -6.630 2.386 1.00 0.00 C ATOM 0 HA PRO A 39 132.523 -7.408 2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 39 131.066 -9.268 1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 39 130.780 -9.057 2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 39 129.219 -7.955 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 39 128.622 -8.671 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 39 128.740 -5.936 1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 39 128.864 -6.667 3.372 1.00 0.00 H new ATOM 642 N PRO A 40 133.257 -7.797 0.288 1.00 0.00 N ATOM 643 CA PRO A 40 133.914 -7.674 -1.042 1.00 0.00 C ATOM 644 C PRO A 40 133.127 -8.392 -2.137 1.00 0.00 C ATOM 645 O PRO A 40 132.550 -7.757 -3.019 1.00 0.00 O ATOM 646 CB PRO A 40 135.276 -8.333 -0.827 1.00 0.00 C ATOM 647 CG PRO A 40 135.062 -9.334 0.261 1.00 0.00 C ATOM 648 CD PRO A 40 133.909 -8.817 1.127 1.00 0.00 C ATOM 0 HA PRO A 40 133.983 -6.639 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 40 135.629 -8.813 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 40 136.028 -7.597 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 40 134.822 -10.312 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 40 135.967 -9.455 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 40 133.218 -9.618 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 40 134.273 -8.391 2.062 1.00 0.00 H new ATOM 656 N CYS A 41 133.110 -9.720 -2.068 1.00 0.00 N ATOM 657 CA CYS A 41 132.389 -10.522 -3.053 1.00 0.00 C ATOM 658 C CYS A 41 132.330 -9.803 -4.397 1.00 0.00 C ATOM 659 O CYS A 41 131.362 -9.942 -5.144 1.00 0.00 O ATOM 660 CB CYS A 41 130.969 -10.801 -2.559 1.00 0.00 C ATOM 661 SG CYS A 41 130.049 -11.688 -3.841 1.00 0.00 S ATOM 0 H CYS A 41 133.584 -10.262 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 41 132.921 -11.464 -3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 41 131.000 -11.392 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 41 130.466 -9.865 -2.317 1.00 0.00 H new ATOM 0 HG CYS A 41 130.087 -11.011 -4.950 1.00 0.00 H new ATOM 667 N ARG A 42 133.371 -9.035 -4.700 1.00 0.00 N ATOM 668 CA ARG A 42 133.424 -8.301 -5.960 1.00 0.00 C ATOM 669 C ARG A 42 133.884 -9.213 -7.093 1.00 0.00 C ATOM 670 O ARG A 42 134.820 -9.997 -6.931 1.00 0.00 O ATOM 671 CB ARG A 42 134.385 -7.117 -5.833 1.00 0.00 C ATOM 672 CG ARG A 42 135.783 -7.630 -5.477 1.00 0.00 C ATOM 673 CD ARG A 42 136.652 -6.460 -5.011 1.00 0.00 C ATOM 674 NE ARG A 42 136.297 -6.078 -3.650 1.00 0.00 N ATOM 675 CZ ARG A 42 137.207 -5.592 -2.812 1.00 0.00 C ATOM 676 NH1 ARG A 42 138.445 -5.453 -3.204 1.00 0.00 N ATOM 677 NH2 ARG A 42 136.865 -5.258 -1.599 1.00 0.00 N ATOM 0 H ARG A 42 134.183 -8.905 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 42 132.423 -7.934 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 42 134.418 -6.560 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 42 134.032 -6.429 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 42 135.717 -8.383 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 42 136.237 -8.112 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 42 137.705 -6.740 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 42 136.520 -5.610 -5.681 1.00 0.00 H new ATOM 0 HE ARG A 42 135.333 -6.186 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 42 138.712 -5.717 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 42 139.144 -5.080 -2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 42 135.899 -5.370 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 42 137.564 -4.885 -0.956 1.00 0.00 H new ATOM 691 N GLY A 43 133.222 -9.103 -8.241 1.00 0.00 N ATOM 692 CA GLY A 43 133.576 -9.924 -9.394 1.00 0.00 C ATOM 693 C GLY A 43 132.381 -10.738 -9.880 1.00 0.00 C ATOM 694 O GLY A 43 132.218 -10.962 -11.080 1.00 0.00 O ATOM 0 H GLY A 43 132.445 -8.460 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 43 133.937 -9.286 -10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 43 134.393 -10.595 -9.129 1.00 0.00 H new ATOM 698 N PHE A 44 131.549 -11.181 -8.943 1.00 0.00 N ATOM 699 CA PHE A 44 130.374 -11.971 -9.294 1.00 0.00 C ATOM 700 C PHE A 44 129.229 -11.066 -9.738 1.00 0.00 C ATOM 701 O PHE A 44 128.244 -11.530 -10.312 1.00 0.00 O ATOM 702 CB PHE A 44 129.929 -12.811 -8.094 1.00 0.00 C ATOM 703 CG PHE A 44 128.528 -13.326 -8.328 1.00 0.00 C ATOM 704 CD1 PHE A 44 128.178 -13.864 -9.573 1.00 0.00 C ATOM 705 CD2 PHE A 44 127.580 -13.266 -7.300 1.00 0.00 C ATOM 706 CE1 PHE A 44 126.879 -14.342 -9.788 1.00 0.00 C ATOM 707 CE2 PHE A 44 126.282 -13.744 -7.516 1.00 0.00 C ATOM 708 CZ PHE A 44 125.931 -14.281 -8.760 1.00 0.00 C ATOM 0 H PHE A 44 131.664 -11.009 -7.944 1.00 0.00 H new ATOM 0 HA PHE A 44 130.639 -12.631 -10.120 1.00 0.00 H new ATOM 0 HB2 PHE A 44 130.614 -13.646 -7.947 1.00 0.00 H new ATOM 0 HB3 PHE A 44 129.959 -12.210 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 44 128.909 -13.910 -10.367 1.00 0.00 H new ATOM 0 HD2 PHE A 44 127.850 -12.851 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 44 126.609 -14.758 -10.747 1.00 0.00 H new ATOM 0 HE2 PHE A 44 125.551 -13.698 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 44 124.929 -14.648 -8.927 1.00 0.00 H new ATOM 718 N THR A 45 129.364 -9.774 -9.461 1.00 0.00 N ATOM 719 CA THR A 45 128.329 -8.814 -9.830 1.00 0.00 C ATOM 720 C THR A 45 128.216 -8.689 -11.347 1.00 0.00 C ATOM 721 O THR A 45 127.167 -8.980 -11.921 1.00 0.00 O ATOM 722 CB THR A 45 128.632 -7.445 -9.215 1.00 0.00 C ATOM 723 OG1 THR A 45 128.133 -7.408 -7.886 1.00 0.00 O ATOM 724 CG2 THR A 45 127.960 -6.347 -10.044 1.00 0.00 C ATOM 0 H THR A 45 130.171 -9.369 -8.987 1.00 0.00 H new ATOM 0 HA THR A 45 127.377 -9.177 -9.442 1.00 0.00 H new ATOM 0 HB THR A 45 129.709 -7.280 -9.207 1.00 0.00 H new ATOM 0 HG1 THR A 45 128.511 -6.636 -7.416 1.00 0.00 H new ATOM 0 HG21 THR A 45 128.178 -5.374 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 45 128.341 -6.377 -11.065 1.00 0.00 H new ATOM 0 HG23 THR A 45 126.882 -6.507 -10.055 1.00 0.00 H new ATOM 732 N PRO A 46 129.265 -8.271 -12.003 1.00 0.00 N ATOM 733 CA PRO A 46 129.271 -8.115 -13.482 1.00 0.00 C ATOM 734 C PRO A 46 128.750 -9.365 -14.181 1.00 0.00 C ATOM 735 O PRO A 46 128.472 -9.349 -15.379 1.00 0.00 O ATOM 736 CB PRO A 46 130.744 -7.856 -13.836 1.00 0.00 C ATOM 737 CG PRO A 46 131.526 -8.087 -12.581 1.00 0.00 C ATOM 738 CD PRO A 46 130.556 -7.903 -11.417 1.00 0.00 C ATOM 0 HA PRO A 46 128.617 -7.307 -13.808 1.00 0.00 H new ATOM 0 HB2 PRO A 46 131.076 -8.525 -14.630 1.00 0.00 H new ATOM 0 HB3 PRO A 46 130.883 -6.838 -14.199 1.00 0.00 H new ATOM 0 HG2 PRO A 46 131.955 -9.089 -12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 46 132.356 -7.384 -12.508 1.00 0.00 H new ATOM 0 HD2 PRO A 46 130.813 -8.542 -10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 46 130.555 -6.876 -11.051 1.00 0.00 H new ATOM 746 N ILE A 47 128.615 -10.444 -13.418 1.00 0.00 N ATOM 747 CA ILE A 47 128.118 -11.696 -13.970 1.00 0.00 C ATOM 748 C ILE A 47 126.596 -11.712 -13.935 1.00 0.00 C ATOM 749 O ILE A 47 125.939 -11.938 -14.953 1.00 0.00 O ATOM 750 CB ILE A 47 128.668 -12.872 -13.167 1.00 0.00 C ATOM 751 CG1 ILE A 47 130.191 -12.744 -13.067 1.00 0.00 C ATOM 752 CG2 ILE A 47 128.309 -14.181 -13.869 1.00 0.00 C ATOM 753 CD1 ILE A 47 130.819 -14.135 -12.970 1.00 0.00 C ATOM 0 H ILE A 47 128.841 -10.476 -12.424 1.00 0.00 H new ATOM 0 HA ILE A 47 128.450 -11.784 -15.004 1.00 0.00 H new ATOM 0 HB ILE A 47 128.234 -12.869 -12.167 1.00 0.00 H new ATOM 0 HG12 ILE A 47 130.580 -12.219 -13.939 1.00 0.00 H new ATOM 0 HG13 ILE A 47 130.459 -12.151 -12.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 128.702 -15.021 -13.296 1.00 0.00 H new ATOM 0 HG22 ILE A 47 127.225 -14.268 -13.944 1.00 0.00 H new ATOM 0 HG23 ILE A 47 128.744 -14.189 -14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 47 131.903 -14.041 -12.899 1.00 0.00 H new ATOM 0 HD12 ILE A 47 130.440 -14.644 -12.084 1.00 0.00 H new ATOM 0 HD13 ILE A 47 130.562 -14.713 -13.858 1.00 0.00 H new ATOM 765 N LEU A 48 126.038 -11.451 -12.758 1.00 0.00 N ATOM 766 CA LEU A 48 124.597 -11.423 -12.611 1.00 0.00 C ATOM 767 C LEU A 48 124.044 -10.205 -13.346 1.00 0.00 C ATOM 768 O LEU A 48 122.902 -10.206 -13.801 1.00 0.00 O ATOM 769 CB LEU A 48 124.230 -11.397 -11.121 1.00 0.00 C ATOM 770 CG LEU A 48 123.257 -10.259 -10.833 1.00 0.00 C ATOM 771 CD1 LEU A 48 121.931 -10.524 -11.548 1.00 0.00 C ATOM 772 CD2 LEU A 48 123.009 -10.178 -9.325 1.00 0.00 C ATOM 0 H LEU A 48 126.560 -11.258 -11.903 1.00 0.00 H new ATOM 0 HA LEU A 48 124.154 -12.318 -13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 123.782 -12.348 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.131 -11.274 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 48 123.680 -9.320 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 48 121.237 -9.710 -11.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 122.104 -10.589 -12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 48 121.506 -11.462 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.314 -9.366 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 48 122.585 -11.119 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 48 123.952 -9.992 -8.811 1.00 0.00 H new ATOM 784 N ALA A 49 124.876 -9.174 -13.488 1.00 0.00 N ATOM 785 CA ALA A 49 124.462 -7.975 -14.203 1.00 0.00 C ATOM 786 C ALA A 49 124.352 -8.287 -15.690 1.00 0.00 C ATOM 787 O ALA A 49 123.615 -7.631 -16.428 1.00 0.00 O ATOM 788 CB ALA A 49 125.476 -6.850 -13.982 1.00 0.00 C ATOM 0 H ALA A 49 125.828 -9.147 -13.122 1.00 0.00 H new ATOM 0 HA ALA A 49 123.493 -7.650 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 49 125.155 -5.959 -14.522 1.00 0.00 H new ATOM 0 HB2 ALA A 49 125.543 -6.625 -12.918 1.00 0.00 H new ATOM 0 HB3 ALA A 49 126.453 -7.164 -14.349 1.00 0.00 H new ATOM 794 N ASP A 50 125.074 -9.312 -16.121 1.00 0.00 N ATOM 795 CA ASP A 50 125.034 -9.723 -17.514 1.00 0.00 C ATOM 796 C ASP A 50 123.832 -10.630 -17.735 1.00 0.00 C ATOM 797 O ASP A 50 123.256 -10.668 -18.822 1.00 0.00 O ATOM 798 CB ASP A 50 126.319 -10.466 -17.885 1.00 0.00 C ATOM 799 CG ASP A 50 126.686 -10.180 -19.337 1.00 0.00 C ATOM 800 OD1 ASP A 50 125.864 -10.444 -20.198 1.00 0.00 O ATOM 801 OD2 ASP A 50 127.785 -9.701 -19.566 1.00 0.00 O ATOM 0 H ASP A 50 125.690 -9.870 -15.529 1.00 0.00 H new ATOM 0 HA ASP A 50 124.948 -8.839 -18.146 1.00 0.00 H new ATOM 0 HB2 ASP A 50 127.131 -10.155 -17.228 1.00 0.00 H new ATOM 0 HB3 ASP A 50 126.184 -11.538 -17.740 1.00 0.00 H new ATOM 806 N MET A 51 123.456 -11.356 -16.684 1.00 0.00 N ATOM 807 CA MET A 51 122.315 -12.260 -16.761 1.00 0.00 C ATOM 808 C MET A 51 121.006 -11.478 -16.734 1.00 0.00 C ATOM 809 O MET A 51 120.107 -11.733 -17.534 1.00 0.00 O ATOM 810 CB MET A 51 122.368 -13.264 -15.602 1.00 0.00 C ATOM 811 CG MET A 51 121.482 -12.791 -14.447 1.00 0.00 C ATOM 812 SD MET A 51 119.757 -13.182 -14.815 1.00 0.00 S ATOM 813 CE MET A 51 119.808 -14.898 -14.249 1.00 0.00 C ATOM 0 H MET A 51 123.922 -11.335 -15.777 1.00 0.00 H new ATOM 0 HA MET A 51 122.362 -12.806 -17.703 1.00 0.00 H new ATOM 0 HB2 MET A 51 122.037 -14.244 -15.946 1.00 0.00 H new ATOM 0 HB3 MET A 51 123.396 -13.378 -15.258 1.00 0.00 H new ATOM 0 HG2 MET A 51 121.786 -13.275 -13.519 1.00 0.00 H new ATOM 0 HG3 MET A 51 121.600 -11.717 -14.300 1.00 0.00 H new ATOM 0 HE1 MET A 51 118.811 -15.333 -14.316 1.00 0.00 H new ATOM 0 HE2 MET A 51 120.495 -15.467 -14.875 1.00 0.00 H new ATOM 0 HE3 MET A 51 120.148 -14.930 -13.214 1.00 0.00 H new ATOM 823 N TYR A 52 120.906 -10.521 -15.818 1.00 0.00 N ATOM 824 CA TYR A 52 119.696 -9.715 -15.721 1.00 0.00 C ATOM 825 C TYR A 52 119.635 -8.741 -16.890 1.00 0.00 C ATOM 826 O TYR A 52 118.554 -8.400 -17.368 1.00 0.00 O ATOM 827 CB TYR A 52 119.653 -8.954 -14.392 1.00 0.00 C ATOM 828 CG TYR A 52 120.119 -7.534 -14.597 1.00 0.00 C ATOM 829 CD1 TYR A 52 121.378 -7.292 -15.144 1.00 0.00 C ATOM 830 CD2 TYR A 52 119.294 -6.463 -14.238 1.00 0.00 C ATOM 831 CE1 TYR A 52 121.820 -5.977 -15.336 1.00 0.00 C ATOM 832 CE2 TYR A 52 119.732 -5.148 -14.427 1.00 0.00 C ATOM 833 CZ TYR A 52 120.996 -4.904 -14.978 1.00 0.00 C ATOM 834 OH TYR A 52 121.429 -3.608 -15.164 1.00 0.00 O ATOM 0 H TYR A 52 121.634 -10.287 -15.143 1.00 0.00 H new ATOM 0 HA TYR A 52 118.831 -10.377 -15.759 1.00 0.00 H new ATOM 0 HB2 TYR A 52 118.639 -8.959 -13.993 1.00 0.00 H new ATOM 0 HB3 TYR A 52 120.287 -9.451 -13.658 1.00 0.00 H new ATOM 0 HD1 TYR A 52 122.014 -8.120 -15.420 1.00 0.00 H new ATOM 0 HD2 TYR A 52 118.318 -6.651 -13.815 1.00 0.00 H new ATOM 0 HE1 TYR A 52 122.796 -5.791 -15.760 1.00 0.00 H new ATOM 0 HE2 TYR A 52 119.096 -4.321 -14.148 1.00 0.00 H new ATOM 0 HH TYR A 52 120.681 -3.054 -15.469 1.00 0.00 H new ATOM 844 N SER A 53 120.804 -8.308 -17.357 1.00 0.00 N ATOM 845 CA SER A 53 120.857 -7.387 -18.482 1.00 0.00 C ATOM 846 C SER A 53 120.344 -8.074 -19.739 1.00 0.00 C ATOM 847 O SER A 53 119.613 -7.477 -20.530 1.00 0.00 O ATOM 848 CB SER A 53 122.290 -6.904 -18.703 1.00 0.00 C ATOM 849 OG SER A 53 122.390 -6.298 -19.986 1.00 0.00 O ATOM 0 H SER A 53 121.712 -8.577 -16.979 1.00 0.00 H new ATOM 0 HA SER A 53 120.225 -6.527 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 53 122.569 -6.190 -17.928 1.00 0.00 H new ATOM 0 HB3 SER A 53 122.984 -7.742 -18.629 1.00 0.00 H new ATOM 0 HG SER A 53 123.308 -5.986 -20.130 1.00 0.00 H new ATOM 855 N GLU A 54 120.712 -9.339 -19.910 1.00 0.00 N ATOM 856 CA GLU A 54 120.258 -10.094 -21.066 1.00 0.00 C ATOM 857 C GLU A 54 118.774 -10.394 -20.913 1.00 0.00 C ATOM 858 O GLU A 54 117.974 -10.136 -21.815 1.00 0.00 O ATOM 859 CB GLU A 54 121.054 -11.398 -21.188 1.00 0.00 C ATOM 860 CG GLU A 54 120.102 -12.565 -21.454 1.00 0.00 C ATOM 861 CD GLU A 54 120.891 -13.797 -21.884 1.00 0.00 C ATOM 862 OE1 GLU A 54 121.981 -13.625 -22.404 1.00 0.00 O ATOM 863 OE2 GLU A 54 120.395 -14.893 -21.688 1.00 0.00 O ATOM 0 H GLU A 54 121.316 -9.856 -19.270 1.00 0.00 H new ATOM 0 HA GLU A 54 120.417 -9.508 -21.971 1.00 0.00 H new ATOM 0 HB2 GLU A 54 121.779 -11.317 -21.997 1.00 0.00 H new ATOM 0 HB3 GLU A 54 121.617 -11.578 -20.272 1.00 0.00 H new ATOM 0 HG2 GLU A 54 119.527 -12.787 -20.555 1.00 0.00 H new ATOM 0 HG3 GLU A 54 119.387 -12.292 -22.230 1.00 0.00 H new ATOM 870 N LEU A 55 118.415 -10.927 -19.752 1.00 0.00 N ATOM 871 CA LEU A 55 117.026 -11.244 -19.473 1.00 0.00 C ATOM 872 C LEU A 55 116.161 -10.006 -19.666 1.00 0.00 C ATOM 873 O LEU A 55 115.067 -10.088 -20.222 1.00 0.00 O ATOM 874 CB LEU A 55 116.880 -11.761 -18.039 1.00 0.00 C ATOM 875 CG LEU A 55 116.866 -13.291 -18.042 1.00 0.00 C ATOM 876 CD1 LEU A 55 116.722 -13.803 -16.607 1.00 0.00 C ATOM 877 CD2 LEU A 55 115.686 -13.791 -18.879 1.00 0.00 C ATOM 0 H LEU A 55 119.063 -11.146 -18.995 1.00 0.00 H new ATOM 0 HA LEU A 55 116.698 -12.020 -20.164 1.00 0.00 H new ATOM 0 HB2 LEU A 55 117.703 -11.396 -17.425 1.00 0.00 H new ATOM 0 HB3 LEU A 55 115.960 -11.380 -17.597 1.00 0.00 H new ATOM 0 HG LEU A 55 117.798 -13.660 -18.470 1.00 0.00 H new ATOM 0 HD11 LEU A 55 116.712 -14.893 -16.609 1.00 0.00 H new ATOM 0 HD12 LEU A 55 117.561 -13.449 -16.008 1.00 0.00 H new ATOM 0 HD13 LEU A 55 115.790 -13.432 -16.180 1.00 0.00 H new ATOM 0 HD21 LEU A 55 115.677 -14.881 -18.881 1.00 0.00 H new ATOM 0 HD22 LEU A 55 114.754 -13.421 -18.452 1.00 0.00 H new ATOM 0 HD23 LEU A 55 115.786 -13.428 -19.902 1.00 0.00 H new ATOM 889 N VAL A 56 116.662 -8.855 -19.216 1.00 0.00 N ATOM 890 CA VAL A 56 115.919 -7.608 -19.361 1.00 0.00 C ATOM 891 C VAL A 56 115.613 -7.366 -20.825 1.00 0.00 C ATOM 892 O VAL A 56 114.461 -7.155 -21.206 1.00 0.00 O ATOM 893 CB VAL A 56 116.730 -6.440 -18.795 1.00 0.00 C ATOM 894 CG1 VAL A 56 116.030 -5.123 -19.134 1.00 0.00 C ATOM 895 CG2 VAL A 56 116.832 -6.583 -17.274 1.00 0.00 C ATOM 0 H VAL A 56 117.567 -8.762 -18.754 1.00 0.00 H new ATOM 0 HA VAL A 56 114.984 -7.684 -18.806 1.00 0.00 H new ATOM 0 HB VAL A 56 117.729 -6.445 -19.231 1.00 0.00 H new ATOM 0 HG11 VAL A 56 116.607 -4.290 -18.731 1.00 0.00 H new ATOM 0 HG12 VAL A 56 115.952 -5.021 -20.216 1.00 0.00 H new ATOM 0 HG13 VAL A 56 115.032 -5.118 -18.696 1.00 0.00 H new ATOM 0 HG21 VAL A 56 117.409 -5.752 -16.868 1.00 0.00 H new ATOM 0 HG22 VAL A 56 115.832 -6.576 -16.840 1.00 0.00 H new ATOM 0 HG23 VAL A 56 117.327 -7.523 -17.029 1.00 0.00 H new ATOM 905 N ASP A 57 116.647 -7.423 -21.646 1.00 0.00 N ATOM 906 CA ASP A 57 116.474 -7.238 -23.073 1.00 0.00 C ATOM 907 C ASP A 57 115.326 -8.114 -23.551 1.00 0.00 C ATOM 908 O ASP A 57 114.567 -7.743 -24.446 1.00 0.00 O ATOM 909 CB ASP A 57 117.758 -7.629 -23.797 1.00 0.00 C ATOM 910 CG ASP A 57 117.827 -6.936 -25.154 1.00 0.00 C ATOM 911 OD1 ASP A 57 116.950 -6.138 -25.436 1.00 0.00 O ATOM 912 OD2 ASP A 57 118.760 -7.214 -25.891 1.00 0.00 O ATOM 0 H ASP A 57 117.608 -7.595 -21.350 1.00 0.00 H new ATOM 0 HA ASP A 57 116.249 -6.193 -23.286 1.00 0.00 H new ATOM 0 HB2 ASP A 57 118.623 -7.352 -23.194 1.00 0.00 H new ATOM 0 HB3 ASP A 57 117.795 -8.710 -23.930 1.00 0.00 H new ATOM 917 N ASP A 58 115.206 -9.281 -22.925 1.00 0.00 N ATOM 918 CA ASP A 58 114.150 -10.222 -23.264 1.00 0.00 C ATOM 919 C ASP A 58 112.924 -9.968 -22.400 1.00 0.00 C ATOM 920 O ASP A 58 112.087 -10.851 -22.211 1.00 0.00 O ATOM 921 CB ASP A 58 114.639 -11.652 -23.039 1.00 0.00 C ATOM 922 CG ASP A 58 114.756 -12.383 -24.373 1.00 0.00 C ATOM 923 OD1 ASP A 58 113.778 -12.403 -25.102 1.00 0.00 O ATOM 924 OD2 ASP A 58 115.821 -12.910 -24.646 1.00 0.00 O ATOM 0 H ASP A 58 115.828 -9.595 -22.181 1.00 0.00 H new ATOM 0 HA ASP A 58 113.884 -10.087 -24.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 115.606 -11.639 -22.537 1.00 0.00 H new ATOM 0 HB3 ASP A 58 113.947 -12.182 -22.385 1.00 0.00 H new ATOM 929 N SER A 59 112.838 -8.761 -21.864 1.00 0.00 N ATOM 930 CA SER A 59 111.722 -8.402 -20.999 1.00 0.00 C ATOM 931 C SER A 59 111.853 -9.144 -19.678 1.00 0.00 C ATOM 932 O SER A 59 110.878 -9.344 -18.955 1.00 0.00 O ATOM 933 CB SER A 59 110.395 -8.757 -21.668 1.00 0.00 C ATOM 934 OG SER A 59 110.608 -8.953 -23.061 1.00 0.00 O ATOM 0 H SER A 59 113.521 -8.018 -22.010 1.00 0.00 H new ATOM 0 HA SER A 59 111.740 -7.327 -20.818 1.00 0.00 H new ATOM 0 HB2 SER A 59 109.980 -9.660 -21.221 1.00 0.00 H new ATOM 0 HB3 SER A 59 109.669 -7.960 -21.508 1.00 0.00 H new ATOM 0 HG SER A 59 110.861 -9.885 -23.225 1.00 0.00 H new ATOM 940 N ALA A 60 113.083 -9.544 -19.388 1.00 0.00 N ATOM 941 CA ALA A 60 113.397 -10.272 -18.165 1.00 0.00 C ATOM 942 C ALA A 60 112.133 -10.695 -17.427 1.00 0.00 C ATOM 943 O ALA A 60 111.607 -9.954 -16.597 1.00 0.00 O ATOM 944 CB ALA A 60 114.249 -9.396 -17.253 1.00 0.00 C ATOM 0 H ALA A 60 113.889 -9.374 -19.990 1.00 0.00 H new ATOM 0 HA ALA A 60 113.947 -11.172 -18.440 1.00 0.00 H new ATOM 0 HB1 ALA A 60 114.483 -9.942 -16.339 1.00 0.00 H new ATOM 0 HB2 ALA A 60 115.174 -9.131 -17.764 1.00 0.00 H new ATOM 0 HB3 ALA A 60 113.700 -8.488 -17.003 1.00 0.00 H new ATOM 950 N PRO A 61 111.651 -11.872 -17.711 1.00 0.00 N ATOM 951 CA PRO A 61 110.430 -12.428 -17.059 1.00 0.00 C ATOM 952 C PRO A 61 110.613 -12.596 -15.553 1.00 0.00 C ATOM 953 O PRO A 61 110.143 -13.572 -14.968 1.00 0.00 O ATOM 954 CB PRO A 61 110.237 -13.794 -17.732 1.00 0.00 C ATOM 955 CG PRO A 61 111.067 -13.761 -18.972 1.00 0.00 C ATOM 956 CD PRO A 61 112.219 -12.804 -18.692 1.00 0.00 C ATOM 0 HA PRO A 61 109.572 -11.766 -17.176 1.00 0.00 H new ATOM 0 HB2 PRO A 61 110.553 -14.602 -17.072 1.00 0.00 H new ATOM 0 HB3 PRO A 61 109.187 -13.968 -17.969 1.00 0.00 H new ATOM 0 HG2 PRO A 61 111.439 -14.756 -19.217 1.00 0.00 H new ATOM 0 HG3 PRO A 61 110.479 -13.422 -19.825 1.00 0.00 H new ATOM 0 HD2 PRO A 61 113.089 -13.327 -18.294 1.00 0.00 H new ATOM 0 HD3 PRO A 61 112.543 -12.289 -19.596 1.00 0.00 H new ATOM 964 N PHE A 62 111.293 -11.640 -14.929 1.00 0.00 N ATOM 965 CA PHE A 62 111.517 -11.704 -13.493 1.00 0.00 C ATOM 966 C PHE A 62 112.153 -10.417 -12.967 1.00 0.00 C ATOM 967 O PHE A 62 112.824 -9.695 -13.704 1.00 0.00 O ATOM 968 CB PHE A 62 112.397 -12.908 -13.167 1.00 0.00 C ATOM 969 CG PHE A 62 113.841 -12.488 -13.083 1.00 0.00 C ATOM 970 CD1 PHE A 62 114.573 -12.268 -14.254 1.00 0.00 C ATOM 971 CD2 PHE A 62 114.449 -12.333 -11.835 1.00 0.00 C ATOM 972 CE1 PHE A 62 115.916 -11.890 -14.176 1.00 0.00 C ATOM 973 CE2 PHE A 62 115.792 -11.953 -11.756 1.00 0.00 C ATOM 974 CZ PHE A 62 116.528 -11.732 -12.927 1.00 0.00 C ATOM 0 H PHE A 62 111.693 -10.823 -15.389 1.00 0.00 H new ATOM 0 HA PHE A 62 110.552 -11.816 -12.999 1.00 0.00 H new ATOM 0 HB2 PHE A 62 112.084 -13.351 -12.222 1.00 0.00 H new ATOM 0 HB3 PHE A 62 112.277 -13.674 -13.933 1.00 0.00 H new ATOM 0 HD1 PHE A 62 114.101 -12.390 -15.218 1.00 0.00 H new ATOM 0 HD2 PHE A 62 113.882 -12.507 -10.932 1.00 0.00 H new ATOM 0 HE1 PHE A 62 116.482 -11.720 -15.080 1.00 0.00 H new ATOM 0 HE2 PHE A 62 116.262 -11.830 -10.792 1.00 0.00 H new ATOM 0 HZ PHE A 62 117.566 -11.440 -12.866 1.00 0.00 H new ATOM 984 N GLU A 63 111.927 -10.141 -11.684 1.00 0.00 N ATOM 985 CA GLU A 63 112.470 -8.940 -11.049 1.00 0.00 C ATOM 986 C GLU A 63 113.523 -9.309 -10.008 1.00 0.00 C ATOM 987 O GLU A 63 113.441 -10.360 -9.374 1.00 0.00 O ATOM 988 CB GLU A 63 111.343 -8.154 -10.377 1.00 0.00 C ATOM 989 CG GLU A 63 111.820 -6.731 -10.080 1.00 0.00 C ATOM 990 CD GLU A 63 111.073 -6.173 -8.873 1.00 0.00 C ATOM 991 OE1 GLU A 63 110.410 -6.945 -8.201 1.00 0.00 O ATOM 992 OE2 GLU A 63 111.176 -4.980 -8.638 1.00 0.00 O ATOM 0 H GLU A 63 111.373 -10.731 -11.064 1.00 0.00 H new ATOM 0 HA GLU A 63 112.938 -8.326 -11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.467 -8.127 -11.025 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.041 -8.648 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 63 112.893 -6.731 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 63 111.653 -6.094 -10.948 1.00 0.00 H new ATOM 999 N ILE A 64 114.506 -8.431 -9.833 1.00 0.00 N ATOM 1000 CA ILE A 64 115.566 -8.671 -8.858 1.00 0.00 C ATOM 1001 C ILE A 64 115.289 -7.901 -7.571 1.00 0.00 C ATOM 1002 O ILE A 64 114.966 -6.713 -7.604 1.00 0.00 O ATOM 1003 CB ILE A 64 116.925 -8.241 -9.429 1.00 0.00 C ATOM 1004 CG1 ILE A 64 117.777 -9.475 -9.755 1.00 0.00 C ATOM 1005 CG2 ILE A 64 117.669 -7.379 -8.406 1.00 0.00 C ATOM 1006 CD1 ILE A 64 118.135 -9.472 -11.241 1.00 0.00 C ATOM 0 H ILE A 64 114.591 -7.555 -10.348 1.00 0.00 H new ATOM 0 HA ILE A 64 115.591 -9.738 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 64 116.753 -7.668 -10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 64 118.685 -9.472 -9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 64 117.230 -10.384 -9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 64 118.632 -7.077 -8.817 1.00 0.00 H new ATOM 0 HG22 ILE A 64 117.077 -6.492 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 64 117.828 -7.953 -7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 64 118.740 -10.349 -11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 64 117.222 -9.495 -11.835 1.00 0.00 H new ATOM 0 HD13 ILE A 64 118.699 -8.570 -11.478 1.00 0.00 H new ATOM 1018 N ILE A 65 115.428 -8.584 -6.441 1.00 0.00 N ATOM 1019 CA ILE A 65 115.204 -7.954 -5.147 1.00 0.00 C ATOM 1020 C ILE A 65 116.537 -7.550 -4.526 1.00 0.00 C ATOM 1021 O ILE A 65 117.504 -8.314 -4.568 1.00 0.00 O ATOM 1022 CB ILE A 65 114.476 -8.918 -4.210 1.00 0.00 C ATOM 1023 CG1 ILE A 65 113.294 -9.557 -4.947 1.00 0.00 C ATOM 1024 CG2 ILE A 65 113.969 -8.156 -2.986 1.00 0.00 C ATOM 1025 CD1 ILE A 65 112.017 -8.763 -4.665 1.00 0.00 C ATOM 0 H ILE A 65 115.693 -9.568 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 65 114.590 -7.065 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 65 115.164 -9.700 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 65 113.491 -9.578 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.169 -10.591 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 65 113.450 -8.844 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 65 114.813 -7.708 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.282 -7.372 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 65 111.180 -9.221 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 65 111.817 -8.765 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 65 112.143 -7.736 -5.009 1.00 0.00 H new ATOM 1037 N PHE A 66 116.584 -6.352 -3.950 1.00 0.00 N ATOM 1038 CA PHE A 66 117.811 -5.870 -3.327 1.00 0.00 C ATOM 1039 C PHE A 66 117.689 -5.894 -1.807 1.00 0.00 C ATOM 1040 O PHE A 66 116.868 -5.184 -1.228 1.00 0.00 O ATOM 1041 CB PHE A 66 118.111 -4.444 -3.795 1.00 0.00 C ATOM 1042 CG PHE A 66 119.393 -4.433 -4.594 1.00 0.00 C ATOM 1043 CD1 PHE A 66 119.418 -4.973 -5.885 1.00 0.00 C ATOM 1044 CD2 PHE A 66 120.556 -3.883 -4.041 1.00 0.00 C ATOM 1045 CE1 PHE A 66 120.607 -4.962 -6.625 1.00 0.00 C ATOM 1046 CE2 PHE A 66 121.745 -3.872 -4.781 1.00 0.00 C ATOM 1047 CZ PHE A 66 121.770 -4.412 -6.073 1.00 0.00 C ATOM 0 H PHE A 66 115.797 -5.705 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 66 118.627 -6.529 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 66 117.288 -4.069 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 66 118.200 -3.779 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 66 118.521 -5.398 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 66 120.536 -3.467 -3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 66 120.627 -5.378 -7.622 1.00 0.00 H new ATOM 0 HE2 PHE A 66 122.642 -3.447 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 66 122.687 -4.404 -6.644 1.00 0.00 H new ATOM 1057 N VAL A 67 118.515 -6.716 -1.169 1.00 0.00 N ATOM 1058 CA VAL A 67 118.499 -6.827 0.285 1.00 0.00 C ATOM 1059 C VAL A 67 119.924 -6.914 0.822 1.00 0.00 C ATOM 1060 O VAL A 67 120.861 -6.417 0.198 1.00 0.00 O ATOM 1061 CB VAL A 67 117.709 -8.067 0.703 1.00 0.00 C ATOM 1062 CG1 VAL A 67 117.402 -8.001 2.200 1.00 0.00 C ATOM 1063 CG2 VAL A 67 116.396 -8.123 -0.083 1.00 0.00 C ATOM 0 H VAL A 67 119.201 -7.312 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 67 118.020 -5.941 0.701 1.00 0.00 H new ATOM 0 HB VAL A 67 118.299 -8.959 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 67 116.839 -8.886 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 67 118.335 -7.961 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 67 116.813 -7.109 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 67 115.832 -9.007 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 67 115.808 -7.229 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 116.613 -8.173 -1.150 1.00 0.00 H new ATOM 1073 N SER A 68 120.084 -7.546 1.980 1.00 0.00 N ATOM 1074 CA SER A 68 121.406 -7.683 2.580 1.00 0.00 C ATOM 1075 C SER A 68 121.879 -6.340 3.128 1.00 0.00 C ATOM 1076 O SER A 68 121.511 -5.291 2.606 1.00 0.00 O ATOM 1077 CB SER A 68 122.404 -8.192 1.539 1.00 0.00 C ATOM 1078 OG SER A 68 123.104 -9.311 2.069 1.00 0.00 O ATOM 0 H SER A 68 119.325 -7.967 2.516 1.00 0.00 H new ATOM 0 HA SER A 68 121.343 -8.400 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 68 121.882 -8.474 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 68 123.106 -7.401 1.274 1.00 0.00 H new ATOM 0 HG SER A 68 122.546 -10.113 1.992 1.00 0.00 H new ATOM 1084 N SER A 69 122.684 -6.384 4.187 1.00 0.00 N ATOM 1085 CA SER A 69 123.198 -5.164 4.809 1.00 0.00 C ATOM 1086 C SER A 69 123.561 -4.118 3.754 1.00 0.00 C ATOM 1087 O SER A 69 124.729 -3.771 3.581 1.00 0.00 O ATOM 1088 CB SER A 69 124.433 -5.490 5.651 1.00 0.00 C ATOM 1089 OG SER A 69 124.392 -4.734 6.854 1.00 0.00 O ATOM 0 H SER A 69 122.994 -7.248 4.632 1.00 0.00 H new ATOM 0 HA SER A 69 122.415 -4.754 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 69 124.462 -6.556 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 69 125.340 -5.258 5.093 1.00 0.00 H new ATOM 0 HG SER A 69 125.181 -4.941 7.398 1.00 0.00 H new ATOM 1095 N ASP A 70 122.548 -3.613 3.062 1.00 0.00 N ATOM 1096 CA ASP A 70 122.755 -2.602 2.033 1.00 0.00 C ATOM 1097 C ASP A 70 122.177 -1.274 2.489 1.00 0.00 C ATOM 1098 O ASP A 70 122.047 -0.338 1.702 1.00 0.00 O ATOM 1099 CB ASP A 70 122.083 -3.023 0.728 1.00 0.00 C ATOM 1100 CG ASP A 70 122.786 -4.244 0.146 1.00 0.00 C ATOM 1101 OD1 ASP A 70 122.699 -5.299 0.751 1.00 0.00 O ATOM 1102 OD2 ASP A 70 123.402 -4.106 -0.899 1.00 0.00 O ATOM 0 H ASP A 70 121.574 -3.887 3.195 1.00 0.00 H new ATOM 0 HA ASP A 70 123.827 -2.496 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 70 121.032 -3.250 0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 70 122.113 -2.201 0.013 1.00 0.00 H new ATOM 1107 N ARG A 71 121.812 -1.215 3.765 1.00 0.00 N ATOM 1108 CA ARG A 71 121.227 -0.009 4.340 1.00 0.00 C ATOM 1109 C ARG A 71 121.785 1.249 3.682 1.00 0.00 C ATOM 1110 O ARG A 71 121.287 2.349 3.920 1.00 0.00 O ATOM 1111 CB ARG A 71 121.507 0.037 5.843 1.00 0.00 C ATOM 1112 CG ARG A 71 122.977 0.390 6.079 1.00 0.00 C ATOM 1113 CD ARG A 71 123.084 1.840 6.555 1.00 0.00 C ATOM 1114 NE ARG A 71 124.480 2.256 6.594 1.00 0.00 N ATOM 1115 CZ ARG A 71 124.842 3.395 7.178 1.00 0.00 C ATOM 1116 NH1 ARG A 71 123.940 4.161 7.727 1.00 0.00 N ATOM 1117 NH2 ARG A 71 126.098 3.746 7.200 1.00 0.00 N ATOM 0 H ARG A 71 121.911 -1.989 4.422 1.00 0.00 H new ATOM 0 HA ARG A 71 120.152 -0.041 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 71 120.864 0.776 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 71 121.276 -0.927 6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 71 123.408 -0.281 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 71 123.547 0.255 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 71 122.521 2.492 5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 71 122.640 1.939 7.545 1.00 0.00 H new ATOM 0 HE ARG A 71 125.192 1.664 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 71 122.958 3.886 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 71 124.217 5.035 8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 71 126.803 3.147 6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 71 126.376 4.619 7.648 1.00 0.00 H new ATOM 1131 N SER A 72 122.807 1.091 2.844 1.00 0.00 N ATOM 1132 CA SER A 72 123.384 2.236 2.165 1.00 0.00 C ATOM 1133 C SER A 72 122.476 2.660 1.018 1.00 0.00 C ATOM 1134 O SER A 72 122.335 1.941 0.030 1.00 0.00 O ATOM 1135 CB SER A 72 124.769 1.881 1.622 1.00 0.00 C ATOM 1136 OG SER A 72 125.760 2.329 2.537 1.00 0.00 O ATOM 0 H SER A 72 123.243 0.195 2.625 1.00 0.00 H new ATOM 0 HA SER A 72 123.482 3.058 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 72 124.851 0.804 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 72 124.920 2.345 0.648 1.00 0.00 H new ATOM 0 HG SER A 72 126.646 2.250 2.125 1.00 0.00 H new ATOM 1142 N GLU A 73 121.860 3.828 1.156 1.00 0.00 N ATOM 1143 CA GLU A 73 120.966 4.325 0.119 1.00 0.00 C ATOM 1144 C GLU A 73 121.748 4.612 -1.152 1.00 0.00 C ATOM 1145 O GLU A 73 121.211 4.531 -2.257 1.00 0.00 O ATOM 1146 CB GLU A 73 120.263 5.598 0.593 1.00 0.00 C ATOM 1147 CG GLU A 73 119.454 5.294 1.855 1.00 0.00 C ATOM 1148 CD GLU A 73 120.378 5.233 3.066 1.00 0.00 C ATOM 1149 OE1 GLU A 73 121.520 5.645 2.936 1.00 0.00 O ATOM 1150 OE2 GLU A 73 119.932 4.774 4.105 1.00 0.00 O ATOM 0 H GLU A 73 121.961 4.441 1.965 1.00 0.00 H new ATOM 0 HA GLU A 73 120.216 3.562 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 73 120.997 6.377 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 73 119.606 5.977 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 73 118.696 6.063 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 73 118.929 4.346 1.740 1.00 0.00 H new ATOM 1157 N ASP A 74 123.023 4.937 -0.989 1.00 0.00 N ATOM 1158 CA ASP A 74 123.870 5.222 -2.135 1.00 0.00 C ATOM 1159 C ASP A 74 124.316 3.922 -2.785 1.00 0.00 C ATOM 1160 O ASP A 74 124.170 3.746 -3.994 1.00 0.00 O ATOM 1161 CB ASP A 74 125.092 6.037 -1.704 1.00 0.00 C ATOM 1162 CG ASP A 74 125.040 7.425 -2.331 1.00 0.00 C ATOM 1163 OD1 ASP A 74 124.747 7.509 -3.512 1.00 0.00 O ATOM 1164 OD2 ASP A 74 125.293 8.384 -1.620 1.00 0.00 O ATOM 0 H ASP A 74 123.488 5.009 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 74 123.298 5.805 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 74 125.119 6.120 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 74 126.006 5.526 -2.007 1.00 0.00 H new ATOM 1169 N ASP A 75 124.851 3.007 -1.983 1.00 0.00 N ATOM 1170 CA ASP A 75 125.294 1.730 -2.516 1.00 0.00 C ATOM 1171 C ASP A 75 124.106 0.977 -3.091 1.00 0.00 C ATOM 1172 O ASP A 75 124.264 0.088 -3.928 1.00 0.00 O ATOM 1173 CB ASP A 75 125.952 0.898 -1.415 1.00 0.00 C ATOM 1174 CG ASP A 75 126.993 1.737 -0.681 1.00 0.00 C ATOM 1175 OD1 ASP A 75 127.702 2.477 -1.342 1.00 0.00 O ATOM 1176 OD2 ASP A 75 127.067 1.625 0.532 1.00 0.00 O ATOM 0 H ASP A 75 124.986 3.125 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 75 126.025 1.909 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 75 125.196 0.545 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 75 126.423 0.015 -1.847 1.00 0.00 H new ATOM 1181 N MET A 76 122.910 1.348 -2.644 1.00 0.00 N ATOM 1182 CA MET A 76 121.700 0.709 -3.130 1.00 0.00 C ATOM 1183 C MET A 76 121.397 1.174 -4.548 1.00 0.00 C ATOM 1184 O MET A 76 121.370 0.371 -5.483 1.00 0.00 O ATOM 1185 CB MET A 76 120.522 1.050 -2.214 1.00 0.00 C ATOM 1186 CG MET A 76 119.339 0.138 -2.545 1.00 0.00 C ATOM 1187 SD MET A 76 117.859 0.743 -1.699 1.00 0.00 S ATOM 1188 CE MET A 76 118.529 0.715 -0.018 1.00 0.00 C ATOM 0 H MET A 76 122.757 2.082 -1.952 1.00 0.00 H new ATOM 0 HA MET A 76 121.851 -0.371 -3.132 1.00 0.00 H new ATOM 0 HB2 MET A 76 120.811 0.925 -1.170 1.00 0.00 H new ATOM 0 HB3 MET A 76 120.237 2.094 -2.343 1.00 0.00 H new ATOM 0 HG2 MET A 76 119.172 0.116 -3.622 1.00 0.00 H new ATOM 0 HG3 MET A 76 119.556 -0.884 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 76 117.721 0.545 0.693 1.00 0.00 H new ATOM 0 HE2 MET A 76 119.262 -0.087 0.068 1.00 0.00 H new ATOM 0 HE3 MET A 76 119.008 1.670 0.199 1.00 0.00 H new ATOM 1198 N PHE A 77 121.167 2.475 -4.706 1.00 0.00 N ATOM 1199 CA PHE A 77 120.861 3.025 -6.019 1.00 0.00 C ATOM 1200 C PHE A 77 122.102 3.038 -6.904 1.00 0.00 C ATOM 1201 O PHE A 77 121.999 3.110 -8.127 1.00 0.00 O ATOM 1202 CB PHE A 77 120.316 4.447 -5.877 1.00 0.00 C ATOM 1203 CG PHE A 77 119.423 4.526 -4.663 1.00 0.00 C ATOM 1204 CD1 PHE A 77 118.548 3.474 -4.366 1.00 0.00 C ATOM 1205 CD2 PHE A 77 119.469 5.652 -3.832 1.00 0.00 C ATOM 1206 CE1 PHE A 77 117.719 3.548 -3.240 1.00 0.00 C ATOM 1207 CE2 PHE A 77 118.640 5.726 -2.705 1.00 0.00 C ATOM 1208 CZ PHE A 77 117.765 4.674 -2.410 1.00 0.00 C ATOM 0 H PHE A 77 121.187 3.159 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 77 120.107 2.392 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 77 121.139 5.155 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 77 119.757 4.725 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 77 118.512 2.605 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 77 120.144 6.464 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 77 117.044 2.736 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 77 118.676 6.594 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 77 117.125 4.731 -1.542 1.00 0.00 H new ATOM 1218 N GLN A 78 123.274 2.964 -6.284 1.00 0.00 N ATOM 1219 CA GLN A 78 124.518 2.967 -7.042 1.00 0.00 C ATOM 1220 C GLN A 78 124.781 1.587 -7.627 1.00 0.00 C ATOM 1221 O GLN A 78 124.929 1.432 -8.839 1.00 0.00 O ATOM 1222 CB GLN A 78 125.684 3.377 -6.141 1.00 0.00 C ATOM 1223 CG GLN A 78 126.962 3.487 -6.975 1.00 0.00 C ATOM 1224 CD GLN A 78 128.059 4.163 -6.161 1.00 0.00 C ATOM 1225 OE1 GLN A 78 128.529 5.241 -6.527 1.00 0.00 O ATOM 1226 NE2 GLN A 78 128.498 3.591 -5.073 1.00 0.00 N ATOM 0 H GLN A 78 123.388 2.902 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 78 124.427 3.686 -7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 78 125.468 4.331 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 78 125.818 2.643 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 78 127.289 2.495 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 78 126.766 4.059 -7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 78 128.107 2.698 -4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 78 129.232 4.037 -4.523 1.00 0.00 H new ATOM 1235 N TYR A 79 124.836 0.588 -6.758 1.00 0.00 N ATOM 1236 CA TYR A 79 125.078 -0.779 -7.200 1.00 0.00 C ATOM 1237 C TYR A 79 123.905 -1.284 -8.031 1.00 0.00 C ATOM 1238 O TYR A 79 124.039 -2.241 -8.793 1.00 0.00 O ATOM 1239 CB TYR A 79 125.283 -1.693 -5.990 1.00 0.00 C ATOM 1240 CG TYR A 79 126.328 -2.731 -6.314 1.00 0.00 C ATOM 1241 CD1 TYR A 79 127.681 -2.374 -6.354 1.00 0.00 C ATOM 1242 CD2 TYR A 79 125.945 -4.053 -6.573 1.00 0.00 C ATOM 1243 CE1 TYR A 79 128.651 -3.337 -6.654 1.00 0.00 C ATOM 1244 CE2 TYR A 79 126.915 -5.016 -6.873 1.00 0.00 C ATOM 1245 CZ TYR A 79 128.269 -4.658 -6.914 1.00 0.00 C ATOM 1246 OH TYR A 79 129.225 -5.609 -7.209 1.00 0.00 O ATOM 0 H TYR A 79 124.718 0.696 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 79 125.978 -0.790 -7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 79 125.594 -1.106 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 79 124.344 -2.178 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 79 127.976 -1.355 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 79 124.901 -4.329 -6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 79 129.695 -3.061 -6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 79 126.620 -6.035 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 79 130.064 -5.380 -6.758 1.00 0.00 H new ATOM 1256 N MET A 80 122.753 -0.634 -7.884 1.00 0.00 N ATOM 1257 CA MET A 80 121.568 -1.030 -8.633 1.00 0.00 C ATOM 1258 C MET A 80 121.609 -0.457 -10.046 1.00 0.00 C ATOM 1259 O MET A 80 121.261 -1.136 -11.012 1.00 0.00 O ATOM 1260 CB MET A 80 120.308 -0.537 -7.918 1.00 0.00 C ATOM 1261 CG MET A 80 119.943 -1.510 -6.795 1.00 0.00 C ATOM 1262 SD MET A 80 118.560 -2.551 -7.325 1.00 0.00 S ATOM 1263 CE MET A 80 117.356 -1.222 -7.567 1.00 0.00 C ATOM 0 H MET A 80 122.617 0.161 -7.259 1.00 0.00 H new ATOM 0 HA MET A 80 121.549 -2.118 -8.695 1.00 0.00 H new ATOM 0 HB2 MET A 80 120.475 0.460 -7.510 1.00 0.00 H new ATOM 0 HB3 MET A 80 119.483 -0.457 -8.626 1.00 0.00 H new ATOM 0 HG2 MET A 80 120.803 -2.130 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 80 119.673 -0.958 -5.895 1.00 0.00 H new ATOM 0 HE1 MET A 80 116.369 -1.564 -7.256 1.00 0.00 H new ATOM 0 HE2 MET A 80 117.645 -0.356 -6.971 1.00 0.00 H new ATOM 0 HE3 MET A 80 117.328 -0.944 -8.621 1.00 0.00 H new ATOM 1273 N MET A 81 122.032 0.799 -10.160 1.00 0.00 N ATOM 1274 CA MET A 81 122.108 1.454 -11.461 1.00 0.00 C ATOM 1275 C MET A 81 123.392 1.075 -12.195 1.00 0.00 C ATOM 1276 O MET A 81 123.495 1.253 -13.409 1.00 0.00 O ATOM 1277 CB MET A 81 122.051 2.974 -11.290 1.00 0.00 C ATOM 1278 CG MET A 81 120.695 3.493 -11.771 1.00 0.00 C ATOM 1279 SD MET A 81 120.734 3.709 -13.567 1.00 0.00 S ATOM 1280 CE MET A 81 118.950 3.605 -13.848 1.00 0.00 C ATOM 0 H MET A 81 122.325 1.379 -9.374 1.00 0.00 H new ATOM 0 HA MET A 81 121.257 1.119 -12.053 1.00 0.00 H new ATOM 0 HB2 MET A 81 122.203 3.238 -10.244 1.00 0.00 H new ATOM 0 HB3 MET A 81 122.854 3.444 -11.857 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.907 2.792 -11.495 1.00 0.00 H new ATOM 0 HG3 MET A 81 120.463 4.441 -11.285 1.00 0.00 H new ATOM 0 HE1 MET A 81 118.721 3.941 -14.859 1.00 0.00 H new ATOM 0 HE2 MET A 81 118.622 2.573 -13.725 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.431 4.239 -13.129 1.00 0.00 H new ATOM 1290 N GLU A 82 124.373 0.561 -11.458 1.00 0.00 N ATOM 1291 CA GLU A 82 125.646 0.176 -12.059 1.00 0.00 C ATOM 1292 C GLU A 82 125.467 -0.960 -13.059 1.00 0.00 C ATOM 1293 O GLU A 82 126.322 -1.177 -13.916 1.00 0.00 O ATOM 1294 CB GLU A 82 126.616 -0.265 -10.963 1.00 0.00 C ATOM 1295 CG GLU A 82 126.483 -1.772 -10.734 1.00 0.00 C ATOM 1296 CD GLU A 82 127.225 -2.174 -9.465 1.00 0.00 C ATOM 1297 OE1 GLU A 82 128.248 -1.571 -9.183 1.00 0.00 O ATOM 1298 OE2 GLU A 82 126.761 -3.080 -8.792 1.00 0.00 O ATOM 0 H GLU A 82 124.312 0.403 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 82 126.045 1.041 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 82 127.639 -0.019 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 82 126.405 0.273 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 82 125.431 -2.044 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 82 126.887 -2.315 -11.589 1.00 0.00 H new ATOM 1305 N SER A 83 124.350 -1.672 -12.944 1.00 0.00 N ATOM 1306 CA SER A 83 124.053 -2.784 -13.847 1.00 0.00 C ATOM 1307 C SER A 83 123.501 -3.982 -13.077 1.00 0.00 C ATOM 1308 O SER A 83 123.250 -5.037 -13.658 1.00 0.00 O ATOM 1309 CB SER A 83 125.313 -3.214 -14.603 1.00 0.00 C ATOM 1310 OG SER A 83 125.602 -2.261 -15.617 1.00 0.00 O ATOM 0 H SER A 83 123.635 -1.501 -12.236 1.00 0.00 H new ATOM 0 HA SER A 83 123.301 -2.439 -14.557 1.00 0.00 H new ATOM 0 HB2 SER A 83 126.154 -3.295 -13.914 1.00 0.00 H new ATOM 0 HB3 SER A 83 125.167 -4.199 -15.045 1.00 0.00 H new ATOM 0 HG SER A 83 126.055 -1.488 -15.220 1.00 0.00 H new ATOM 1316 N HIS A 84 123.319 -3.819 -11.771 1.00 0.00 N ATOM 1317 CA HIS A 84 122.800 -4.903 -10.947 1.00 0.00 C ATOM 1318 C HIS A 84 121.309 -4.711 -10.679 1.00 0.00 C ATOM 1319 O HIS A 84 120.914 -3.844 -9.900 1.00 0.00 O ATOM 1320 CB HIS A 84 123.559 -4.955 -9.619 1.00 0.00 C ATOM 1321 CG HIS A 84 124.105 -6.340 -9.400 1.00 0.00 C ATOM 1322 ND1 HIS A 84 124.195 -6.905 -8.136 1.00 0.00 N ATOM 1323 CD2 HIS A 84 124.596 -7.286 -10.268 1.00 0.00 C ATOM 1324 CE1 HIS A 84 124.721 -8.135 -8.278 1.00 0.00 C ATOM 1325 NE2 HIS A 84 124.984 -8.418 -9.557 1.00 0.00 N ATOM 0 H HIS A 84 123.521 -2.957 -11.265 1.00 0.00 H new ATOM 0 HA HIS A 84 122.940 -5.841 -11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 84 124.373 -4.230 -9.626 1.00 0.00 H new ATOM 0 HB3 HIS A 84 122.895 -4.682 -8.799 1.00 0.00 H new ATOM 0 HD2 HIS A 84 124.670 -7.169 -11.339 1.00 0.00 H new ATOM 0 HE1 HIS A 84 124.908 -8.812 -7.457 1.00 0.00 H new ATOM 0 HE2 HIS A 84 125.383 -9.279 -9.932 1.00 0.00 H new ATOM 1334 N GLY A 85 120.485 -5.529 -11.329 1.00 0.00 N ATOM 1335 CA GLY A 85 119.038 -5.443 -11.153 1.00 0.00 C ATOM 1336 C GLY A 85 118.497 -4.122 -11.689 1.00 0.00 C ATOM 1337 O GLY A 85 119.035 -3.056 -11.386 1.00 0.00 O ATOM 0 H GLY A 85 120.792 -6.254 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 85 118.556 -6.273 -11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 85 118.791 -5.538 -10.096 1.00 0.00 H new ATOM 1341 N ASP A 86 117.436 -4.193 -12.490 1.00 0.00 N ATOM 1342 CA ASP A 86 116.851 -2.983 -13.057 1.00 0.00 C ATOM 1343 C ASP A 86 115.364 -2.867 -12.722 1.00 0.00 C ATOM 1344 O ASP A 86 114.524 -2.830 -13.621 1.00 0.00 O ATOM 1345 CB ASP A 86 117.028 -2.978 -14.577 1.00 0.00 C ATOM 1346 CG ASP A 86 118.280 -2.194 -14.955 1.00 0.00 C ATOM 1347 OD1 ASP A 86 118.488 -1.138 -14.382 1.00 0.00 O ATOM 1348 OD2 ASP A 86 119.013 -2.662 -15.811 1.00 0.00 O ATOM 0 H ASP A 86 116.971 -5.061 -12.757 1.00 0.00 H new ATOM 0 HA ASP A 86 117.369 -2.130 -12.619 1.00 0.00 H new ATOM 0 HB2 ASP A 86 117.105 -4.001 -14.946 1.00 0.00 H new ATOM 0 HB3 ASP A 86 116.153 -2.533 -15.052 1.00 0.00 H new ATOM 1353 N TRP A 87 115.039 -2.796 -11.432 1.00 0.00 N ATOM 1354 CA TRP A 87 113.641 -2.670 -11.028 1.00 0.00 C ATOM 1355 C TRP A 87 113.502 -1.979 -9.675 1.00 0.00 C ATOM 1356 O TRP A 87 113.563 -0.752 -9.592 1.00 0.00 O ATOM 1357 CB TRP A 87 112.977 -4.046 -10.984 1.00 0.00 C ATOM 1358 CG TRP A 87 113.123 -4.677 -12.326 1.00 0.00 C ATOM 1359 CD1 TRP A 87 112.295 -4.479 -13.378 1.00 0.00 C ATOM 1360 CD2 TRP A 87 114.157 -5.586 -12.783 1.00 0.00 C ATOM 1361 NE1 TRP A 87 112.763 -5.211 -14.456 1.00 0.00 N ATOM 1362 CE2 TRP A 87 113.910 -5.910 -14.135 1.00 0.00 C ATOM 1363 CE3 TRP A 87 115.275 -6.154 -12.157 1.00 0.00 C ATOM 1364 CZ2 TRP A 87 114.750 -6.768 -14.843 1.00 0.00 C ATOM 1365 CZ3 TRP A 87 116.121 -7.017 -12.863 1.00 0.00 C ATOM 1366 CH2 TRP A 87 115.861 -7.322 -14.203 1.00 0.00 C ATOM 0 H TRP A 87 115.709 -2.823 -10.664 1.00 0.00 H new ATOM 0 HA TRP A 87 113.139 -2.050 -11.771 1.00 0.00 H new ATOM 0 HB2 TRP A 87 113.442 -4.668 -10.219 1.00 0.00 H new ATOM 0 HB3 TRP A 87 111.923 -3.951 -10.721 1.00 0.00 H new ATOM 0 HD1 TRP A 87 111.415 -3.853 -13.377 1.00 0.00 H new ATOM 0 HE1 TRP A 87 112.316 -5.231 -15.373 1.00 0.00 H new ATOM 0 HE3 TRP A 87 115.485 -5.924 -11.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 114.544 -7.002 -15.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 116.979 -7.450 -12.370 1.00 0.00 H new ATOM 0 HH2 TRP A 87 116.520 -7.986 -14.743 1.00 0.00 H new ATOM 1377 N LEU A 88 113.281 -2.760 -8.622 1.00 0.00 N ATOM 1378 CA LEU A 88 113.097 -2.178 -7.297 1.00 0.00 C ATOM 1379 C LEU A 88 114.006 -2.807 -6.245 1.00 0.00 C ATOM 1380 O LEU A 88 114.740 -3.760 -6.509 1.00 0.00 O ATOM 1381 CB LEU A 88 111.640 -2.339 -6.868 1.00 0.00 C ATOM 1382 CG LEU A 88 110.742 -1.550 -7.820 1.00 0.00 C ATOM 1383 CD1 LEU A 88 109.832 -2.513 -8.583 1.00 0.00 C ATOM 1384 CD2 LEU A 88 109.886 -0.568 -7.020 1.00 0.00 C ATOM 0 H LEU A 88 113.226 -3.778 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 88 113.364 -1.124 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 88 111.361 -3.393 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 88 111.508 -1.982 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 88 111.362 -0.999 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 88 109.192 -1.949 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 88 110.441 -3.212 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 88 109.213 -3.066 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 88 109.246 -0.006 -7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 88 109.267 -1.118 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 88 110.533 0.121 -6.478 1.00 0.00 H new ATOM 1396 N ALA A 89 113.925 -2.245 -5.044 1.00 0.00 N ATOM 1397 CA ALA A 89 114.711 -2.712 -3.911 1.00 0.00 C ATOM 1398 C ALA A 89 113.927 -2.517 -2.619 1.00 0.00 C ATOM 1399 O ALA A 89 113.463 -1.415 -2.330 1.00 0.00 O ATOM 1400 CB ALA A 89 116.029 -1.939 -3.834 1.00 0.00 C ATOM 0 H ALA A 89 113.315 -1.456 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 89 114.925 -3.772 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 89 116.610 -2.295 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 89 116.596 -2.094 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 89 115.821 -0.876 -3.712 1.00 0.00 H new ATOM 1406 N ILE A 90 113.780 -3.586 -1.844 1.00 0.00 N ATOM 1407 CA ILE A 90 113.046 -3.502 -0.587 1.00 0.00 C ATOM 1408 C ILE A 90 113.847 -2.733 0.447 1.00 0.00 C ATOM 1409 O ILE A 90 114.896 -3.195 0.896 1.00 0.00 O ATOM 1410 CB ILE A 90 112.763 -4.893 -0.035 1.00 0.00 C ATOM 1411 CG1 ILE A 90 112.650 -5.892 -1.190 1.00 0.00 C ATOM 1412 CG2 ILE A 90 111.456 -4.866 0.762 1.00 0.00 C ATOM 1413 CD1 ILE A 90 111.635 -6.982 -0.833 1.00 0.00 C ATOM 0 H ILE A 90 114.154 -4.510 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 90 112.107 -2.987 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 90 113.578 -5.199 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 90 112.340 -5.377 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 90 113.623 -6.340 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 90 111.251 -5.860 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 90 111.547 -4.159 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 90 110.638 -4.560 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 90 111.557 -7.691 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 90 111.963 -7.505 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 90 110.661 -6.527 -0.653 1.00 0.00 H new ATOM 1425 N PRO A 91 113.378 -1.587 0.845 1.00 0.00 N ATOM 1426 CA PRO A 91 114.078 -0.770 1.860 1.00 0.00 C ATOM 1427 C PRO A 91 114.459 -1.603 3.079 1.00 0.00 C ATOM 1428 O PRO A 91 113.594 -2.024 3.846 1.00 0.00 O ATOM 1429 CB PRO A 91 113.065 0.317 2.229 1.00 0.00 C ATOM 1430 CG PRO A 91 112.136 0.414 1.064 1.00 0.00 C ATOM 1431 CD PRO A 91 112.144 -0.948 0.370 1.00 0.00 C ATOM 0 HA PRO A 91 115.015 -0.358 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 91 112.525 0.057 3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 91 113.562 1.269 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 91 111.130 0.673 1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 91 112.458 1.198 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 91 111.264 -1.535 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 91 112.142 -0.842 -0.715 1.00 0.00 H new ATOM 1439 N TYR A 92 115.754 -1.848 3.245 1.00 0.00 N ATOM 1440 CA TYR A 92 116.236 -2.642 4.370 1.00 0.00 C ATOM 1441 C TYR A 92 115.312 -2.477 5.570 1.00 0.00 C ATOM 1442 O TYR A 92 115.219 -3.359 6.423 1.00 0.00 O ATOM 1443 CB TYR A 92 117.656 -2.214 4.748 1.00 0.00 C ATOM 1444 CG TYR A 92 117.770 -0.710 4.677 1.00 0.00 C ATOM 1445 CD1 TYR A 92 117.856 -0.072 3.433 1.00 0.00 C ATOM 1446 CD2 TYR A 92 117.792 0.046 5.854 1.00 0.00 C ATOM 1447 CE1 TYR A 92 117.965 1.323 3.368 1.00 0.00 C ATOM 1448 CE2 TYR A 92 117.902 1.440 5.789 1.00 0.00 C ATOM 1449 CZ TYR A 92 117.987 2.078 4.546 1.00 0.00 C ATOM 1450 OH TYR A 92 118.094 3.453 4.482 1.00 0.00 O ATOM 0 H TYR A 92 116.485 -1.511 2.619 1.00 0.00 H new ATOM 0 HA TYR A 92 116.246 -3.691 4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 92 117.895 -2.559 5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 92 118.377 -2.675 4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 92 117.838 -0.655 2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 92 117.724 -0.446 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 92 118.032 1.816 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 92 117.921 2.023 6.698 1.00 0.00 H new ATOM 0 HH TYR A 92 119.033 3.702 4.353 1.00 0.00 H new ATOM 1460 N ARG A 93 114.624 -1.343 5.622 1.00 0.00 N ATOM 1461 CA ARG A 93 113.701 -1.071 6.718 1.00 0.00 C ATOM 1462 C ARG A 93 112.335 -1.675 6.422 1.00 0.00 C ATOM 1463 O ARG A 93 111.320 -1.254 6.975 1.00 0.00 O ATOM 1464 CB ARG A 93 113.565 0.439 6.932 1.00 0.00 C ATOM 1465 CG ARG A 93 114.399 0.860 8.144 1.00 0.00 C ATOM 1466 CD ARG A 93 114.732 2.349 8.041 1.00 0.00 C ATOM 1467 NE ARG A 93 115.477 2.782 9.218 1.00 0.00 N ATOM 1468 CZ ARG A 93 114.865 2.993 10.379 1.00 0.00 C ATOM 1469 NH1 ARG A 93 113.578 2.814 10.479 1.00 0.00 N ATOM 1470 NH2 ARG A 93 115.554 3.381 11.417 1.00 0.00 N ATOM 0 H ARG A 93 114.686 -0.602 4.924 1.00 0.00 H new ATOM 0 HA ARG A 93 114.099 -1.525 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 93 113.899 0.975 6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 93 112.519 0.702 7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 93 113.849 0.662 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 93 115.317 0.273 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 93 115.318 2.536 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 93 113.814 2.929 7.949 1.00 0.00 H new ATOM 0 HE ARG A 93 116.485 2.925 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 93 113.040 2.512 9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 93 113.108 2.976 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 93 116.561 3.522 11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 93 115.086 3.543 12.308 1.00 0.00 H new ATOM 1484 N SER A 94 112.326 -2.664 5.540 1.00 0.00 N ATOM 1485 CA SER A 94 111.090 -3.335 5.159 1.00 0.00 C ATOM 1486 C SER A 94 111.001 -4.711 5.808 1.00 0.00 C ATOM 1487 O SER A 94 110.979 -5.729 5.118 1.00 0.00 O ATOM 1488 CB SER A 94 111.025 -3.483 3.639 1.00 0.00 C ATOM 1489 OG SER A 94 109.673 -3.362 3.214 1.00 0.00 O ATOM 0 H SER A 94 113.161 -3.020 5.074 1.00 0.00 H new ATOM 0 HA SER A 94 110.251 -2.730 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 94 111.639 -2.719 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 94 111.428 -4.450 3.338 1.00 0.00 H new ATOM 0 HG SER A 94 109.646 -3.214 2.246 1.00 0.00 H new ATOM 1495 N GLY A 95 110.953 -4.732 7.137 1.00 0.00 N ATOM 1496 CA GLY A 95 110.870 -5.987 7.882 1.00 0.00 C ATOM 1497 C GLY A 95 110.635 -7.179 6.957 1.00 0.00 C ATOM 1498 O GLY A 95 111.477 -8.071 6.858 1.00 0.00 O ATOM 0 H GLY A 95 110.970 -3.896 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 95 111.792 -6.138 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 95 110.060 -5.926 8.609 1.00 0.00 H new ATOM 1502 N PRO A 96 109.517 -7.207 6.277 1.00 0.00 N ATOM 1503 CA PRO A 96 109.175 -8.311 5.338 1.00 0.00 C ATOM 1504 C PRO A 96 110.389 -8.805 4.551 1.00 0.00 C ATOM 1505 O PRO A 96 110.421 -9.948 4.096 1.00 0.00 O ATOM 1506 CB PRO A 96 108.141 -7.670 4.416 1.00 0.00 C ATOM 1507 CG PRO A 96 107.454 -6.638 5.252 1.00 0.00 C ATOM 1508 CD PRO A 96 108.449 -6.195 6.332 1.00 0.00 C ATOM 0 HA PRO A 96 108.808 -9.198 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 96 108.616 -7.218 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 96 107.433 -8.410 4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 96 107.147 -5.790 4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 96 106.551 -7.048 5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 96 108.836 -5.196 6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 96 107.981 -6.163 7.316 1.00 0.00 H new ATOM 1516 N ALA A 97 111.388 -7.941 4.403 1.00 0.00 N ATOM 1517 CA ALA A 97 112.601 -8.305 3.681 1.00 0.00 C ATOM 1518 C ALA A 97 113.499 -9.164 4.563 1.00 0.00 C ATOM 1519 O ALA A 97 114.023 -10.189 4.125 1.00 0.00 O ATOM 1520 CB ALA A 97 113.353 -7.045 3.251 1.00 0.00 C ATOM 0 H ALA A 97 111.382 -6.990 4.771 1.00 0.00 H new ATOM 0 HA ALA A 97 112.323 -8.875 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 97 114.258 -7.327 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 97 112.716 -6.445 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 97 113.622 -6.463 4.133 1.00 0.00 H new ATOM 1526 N SER A 98 113.659 -8.748 5.814 1.00 0.00 N ATOM 1527 CA SER A 98 114.483 -9.503 6.748 1.00 0.00 C ATOM 1528 C SER A 98 113.792 -10.818 7.073 1.00 0.00 C ATOM 1529 O SER A 98 114.295 -11.895 6.748 1.00 0.00 O ATOM 1530 CB SER A 98 114.701 -8.701 8.031 1.00 0.00 C ATOM 1531 OG SER A 98 114.854 -7.326 7.704 1.00 0.00 O ATOM 0 H SER A 98 113.236 -7.904 6.200 1.00 0.00 H new ATOM 0 HA SER A 98 115.454 -9.700 6.293 1.00 0.00 H new ATOM 0 HB2 SER A 98 113.855 -8.835 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 98 115.586 -9.063 8.554 1.00 0.00 H new ATOM 0 HG SER A 98 114.992 -6.808 8.524 1.00 0.00 H new ATOM 1537 N ASN A 99 112.630 -10.722 7.705 1.00 0.00 N ATOM 1538 CA ASN A 99 111.870 -11.913 8.056 1.00 0.00 C ATOM 1539 C ASN A 99 111.848 -12.867 6.870 1.00 0.00 C ATOM 1540 O ASN A 99 111.830 -14.086 7.036 1.00 0.00 O ATOM 1541 CB ASN A 99 110.439 -11.531 8.440 1.00 0.00 C ATOM 1542 CG ASN A 99 110.437 -10.787 9.771 1.00 0.00 C ATOM 1543 OD1 ASN A 99 111.567 -10.385 10.284 1.00 0.00 O flip ATOM 1544 ND2 ASN A 99 109.377 -10.567 10.358 1.00 0.00 N flip ATOM 0 H ASN A 99 112.197 -9.841 7.983 1.00 0.00 H new ATOM 0 HA ASN A 99 112.343 -12.401 8.908 1.00 0.00 H new ATOM 0 HB2 ASN A 99 110.000 -10.905 7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 99 109.822 -12.427 8.514 1.00 0.00 H new ATOM 0 HD21 ASN A 99 108.495 -10.883 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 99 109.381 -10.069 11.248 1.00 0.00 H new ATOM 1551 N VAL A 100 111.870 -12.294 5.670 1.00 0.00 N ATOM 1552 CA VAL A 100 111.874 -13.090 4.449 1.00 0.00 C ATOM 1553 C VAL A 100 113.148 -13.925 4.385 1.00 0.00 C ATOM 1554 O VAL A 100 113.106 -15.133 4.150 1.00 0.00 O ATOM 1555 CB VAL A 100 111.794 -12.164 3.232 1.00 0.00 C ATOM 1556 CG1 VAL A 100 112.621 -12.744 2.083 1.00 0.00 C ATOM 1557 CG2 VAL A 100 110.336 -12.024 2.791 1.00 0.00 C ATOM 0 H VAL A 100 111.885 -11.285 5.518 1.00 0.00 H new ATOM 0 HA VAL A 100 111.011 -13.756 4.448 1.00 0.00 H new ATOM 0 HB VAL A 100 112.190 -11.184 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 100 112.560 -12.081 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 100 113.661 -12.839 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 100 112.232 -13.726 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 100 110.280 -11.365 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 100 109.940 -13.005 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 100 109.748 -11.603 3.606 1.00 0.00 H new ATOM 1567 N THR A 101 114.279 -13.264 4.610 1.00 0.00 N ATOM 1568 CA THR A 101 115.573 -13.937 4.594 1.00 0.00 C ATOM 1569 C THR A 101 115.664 -14.937 5.730 1.00 0.00 C ATOM 1570 O THR A 101 116.069 -16.085 5.547 1.00 0.00 O ATOM 1571 CB THR A 101 116.683 -12.909 4.786 1.00 0.00 C ATOM 1572 OG1 THR A 101 116.395 -11.747 4.020 1.00 0.00 O ATOM 1573 CG2 THR A 101 118.018 -13.505 4.338 1.00 0.00 C ATOM 0 H THR A 101 114.326 -12.264 4.805 1.00 0.00 H new ATOM 0 HA THR A 101 115.680 -14.450 3.638 1.00 0.00 H new ATOM 0 HB THR A 101 116.746 -12.638 5.840 1.00 0.00 H new ATOM 0 HG1 THR A 101 117.108 -11.087 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 101 118.810 -12.769 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 101 118.239 -14.391 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 101 117.958 -13.781 3.285 1.00 0.00 H new ATOM 1581 N ALA A 102 115.290 -14.471 6.908 1.00 0.00 N ATOM 1582 CA ALA A 102 115.328 -15.293 8.102 1.00 0.00 C ATOM 1583 C ALA A 102 114.236 -16.356 8.054 1.00 0.00 C ATOM 1584 O ALA A 102 114.325 -17.382 8.729 1.00 0.00 O ATOM 1585 CB ALA A 102 115.151 -14.399 9.324 1.00 0.00 C ATOM 0 H ALA A 102 114.954 -13.520 7.063 1.00 0.00 H new ATOM 0 HA ALA A 102 116.289 -15.804 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 102 115.178 -15.008 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 102 115.956 -13.665 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 102 114.192 -13.884 9.262 1.00 0.00 H new ATOM 1591 N LYS A 103 113.210 -16.107 7.247 1.00 0.00 N ATOM 1592 CA LYS A 103 112.112 -17.056 7.110 1.00 0.00 C ATOM 1593 C LYS A 103 112.488 -18.159 6.127 1.00 0.00 C ATOM 1594 O LYS A 103 112.114 -19.319 6.307 1.00 0.00 O ATOM 1595 CB LYS A 103 110.853 -16.339 6.619 1.00 0.00 C ATOM 1596 CG LYS A 103 109.809 -17.375 6.194 1.00 0.00 C ATOM 1597 CD LYS A 103 108.408 -16.844 6.502 1.00 0.00 C ATOM 1598 CE LYS A 103 108.176 -16.858 8.015 1.00 0.00 C ATOM 1599 NZ LYS A 103 107.099 -17.836 8.341 1.00 0.00 N ATOM 0 H LYS A 103 113.116 -15.263 6.682 1.00 0.00 H new ATOM 0 HA LYS A 103 111.914 -17.500 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 103 110.451 -15.705 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 103 111.097 -15.687 5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 103 109.903 -17.586 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 103 109.978 -18.314 6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 103 108.299 -15.830 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 103 107.658 -17.457 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 103 109.096 -17.128 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 103 107.896 -15.863 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 106.940 -17.847 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 106.221 -17.559 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 107.384 -18.785 8.025 1.00 0.00 H new ATOM 1613 N TYR A 104 113.231 -17.791 5.087 1.00 0.00 N ATOM 1614 CA TYR A 104 113.653 -18.760 4.082 1.00 0.00 C ATOM 1615 C TYR A 104 114.771 -19.643 4.626 1.00 0.00 C ATOM 1616 O TYR A 104 115.033 -20.724 4.099 1.00 0.00 O ATOM 1617 CB TYR A 104 114.139 -18.032 2.827 1.00 0.00 C ATOM 1618 CG TYR A 104 113.059 -18.068 1.773 1.00 0.00 C ATOM 1619 CD1 TYR A 104 112.532 -19.296 1.353 1.00 0.00 C ATOM 1620 CD2 TYR A 104 112.585 -16.876 1.214 1.00 0.00 C ATOM 1621 CE1 TYR A 104 111.530 -19.330 0.377 1.00 0.00 C ATOM 1622 CE2 TYR A 104 111.583 -16.910 0.236 1.00 0.00 C ATOM 1623 CZ TYR A 104 111.056 -18.137 -0.183 1.00 0.00 C ATOM 1624 OH TYR A 104 110.068 -18.170 -1.146 1.00 0.00 O ATOM 0 H TYR A 104 113.551 -16.837 4.919 1.00 0.00 H new ATOM 0 HA TYR A 104 112.800 -19.389 3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 104 114.392 -17.000 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 104 115.046 -18.503 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 104 112.899 -20.216 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 104 112.992 -15.929 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 104 111.122 -20.277 0.055 1.00 0.00 H new ATOM 0 HE2 TYR A 104 111.217 -15.990 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 104 109.855 -17.256 -1.427 1.00 0.00 H new ATOM 1634 N GLY A 105 115.426 -19.176 5.684 1.00 0.00 N ATOM 1635 CA GLY A 105 116.514 -19.933 6.293 1.00 0.00 C ATOM 1636 C GLY A 105 117.804 -19.772 5.496 1.00 0.00 C ATOM 1637 O GLY A 105 118.605 -20.703 5.400 1.00 0.00 O ATOM 0 H GLY A 105 115.225 -18.284 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 105 116.670 -19.593 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 105 116.244 -20.988 6.345 1.00 0.00 H new ATOM 1641 N ILE A 106 118.000 -18.588 4.925 1.00 0.00 N ATOM 1642 CA ILE A 106 119.196 -18.317 4.139 1.00 0.00 C ATOM 1643 C ILE A 106 120.437 -18.336 5.028 1.00 0.00 C ATOM 1644 O ILE A 106 120.859 -19.394 5.493 1.00 0.00 O ATOM 1645 CB ILE A 106 119.067 -16.959 3.458 1.00 0.00 C ATOM 1646 CG1 ILE A 106 117.677 -16.845 2.815 1.00 0.00 C ATOM 1647 CG2 ILE A 106 120.151 -16.822 2.391 1.00 0.00 C ATOM 1648 CD1 ILE A 106 117.754 -17.200 1.328 1.00 0.00 C ATOM 0 H ILE A 106 117.349 -17.805 4.992 1.00 0.00 H new ATOM 0 HA ILE A 106 119.300 -19.094 3.381 1.00 0.00 H new ATOM 0 HB ILE A 106 119.188 -16.163 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 106 116.978 -17.512 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 106 117.294 -15.832 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.060 -15.852 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 106 121.133 -16.903 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 106 120.034 -17.613 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 106 116.763 -17.116 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.437 -16.515 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 106 118.117 -18.222 1.216 1.00 0.00 H new ATOM 1660 N THR A 107 121.013 -17.163 5.262 1.00 0.00 N ATOM 1661 CA THR A 107 122.200 -17.065 6.102 1.00 0.00 C ATOM 1662 C THR A 107 123.413 -17.651 5.388 1.00 0.00 C ATOM 1663 O THR A 107 124.516 -17.675 5.934 1.00 0.00 O ATOM 1664 CB THR A 107 121.963 -17.810 7.416 1.00 0.00 C ATOM 1665 OG1 THR A 107 122.430 -19.146 7.293 1.00 0.00 O ATOM 1666 CG2 THR A 107 120.466 -17.814 7.731 1.00 0.00 C ATOM 0 H THR A 107 120.682 -16.275 4.886 1.00 0.00 H new ATOM 0 HA THR A 107 122.395 -16.013 6.310 1.00 0.00 H new ATOM 0 HB THR A 107 122.502 -17.313 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 107 121.926 -19.605 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 107 120.293 -18.344 8.667 1.00 0.00 H new ATOM 0 HG22 THR A 107 120.111 -16.788 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 107 119.926 -18.313 6.926 1.00 0.00 H new ATOM 1674 N GLY A 108 123.202 -18.118 4.161 1.00 0.00 N ATOM 1675 CA GLY A 108 124.286 -18.696 3.377 1.00 0.00 C ATOM 1676 C GLY A 108 124.967 -17.627 2.531 1.00 0.00 C ATOM 1677 O GLY A 108 125.725 -17.935 1.612 1.00 0.00 O ATOM 0 H GLY A 108 122.297 -18.107 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 108 125.015 -19.160 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 108 123.896 -19.483 2.732 1.00 0.00 H new ATOM 1681 N ILE A 109 124.688 -16.367 2.849 1.00 0.00 N ATOM 1682 CA ILE A 109 125.273 -15.252 2.118 1.00 0.00 C ATOM 1683 C ILE A 109 126.788 -15.414 2.023 1.00 0.00 C ATOM 1684 O ILE A 109 127.434 -15.836 2.982 1.00 0.00 O ATOM 1685 CB ILE A 109 124.934 -13.946 2.839 1.00 0.00 C ATOM 1686 CG1 ILE A 109 123.993 -14.248 4.009 1.00 0.00 C ATOM 1687 CG2 ILE A 109 124.248 -12.975 1.874 1.00 0.00 C ATOM 1688 CD1 ILE A 109 122.722 -14.927 3.489 1.00 0.00 C ATOM 0 H ILE A 109 124.062 -16.094 3.607 1.00 0.00 H new ATOM 0 HA ILE A 109 124.864 -15.232 1.108 1.00 0.00 H new ATOM 0 HB ILE A 109 125.853 -13.491 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 109 124.492 -14.894 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 109 123.737 -13.325 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 109 124.011 -12.049 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 109 124.915 -12.760 1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 109 123.329 -13.424 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 109 122.055 -15.140 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 109 122.219 -14.266 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 109 122.986 -15.859 2.989 1.00 0.00 H new ATOM 1700 N PRO A 110 127.367 -15.091 0.893 1.00 0.00 N ATOM 1701 CA PRO A 110 126.623 -14.574 -0.296 1.00 0.00 C ATOM 1702 C PRO A 110 125.811 -15.667 -0.988 1.00 0.00 C ATOM 1703 O PRO A 110 126.236 -16.819 -1.056 1.00 0.00 O ATOM 1704 CB PRO A 110 127.728 -14.053 -1.216 1.00 0.00 C ATOM 1705 CG PRO A 110 128.947 -14.832 -0.851 1.00 0.00 C ATOM 1706 CD PRO A 110 128.812 -15.188 0.630 1.00 0.00 C ATOM 0 HA PRO A 110 125.894 -13.811 -0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 110 127.468 -14.199 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.887 -12.984 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 110 129.028 -15.732 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 110 129.849 -14.246 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 110 129.188 -16.190 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 110 129.378 -14.501 1.258 1.00 0.00 H new ATOM 1714 N ALA A 111 124.640 -15.295 -1.499 1.00 0.00 N ATOM 1715 CA ALA A 111 123.780 -16.256 -2.182 1.00 0.00 C ATOM 1716 C ALA A 111 122.604 -15.550 -2.849 1.00 0.00 C ATOM 1717 O ALA A 111 122.264 -14.419 -2.501 1.00 0.00 O ATOM 1718 CB ALA A 111 123.256 -17.289 -1.183 1.00 0.00 C ATOM 0 H ALA A 111 124.268 -14.346 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 111 124.369 -16.757 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 111 122.615 -18.003 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 111 124.096 -17.817 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 111 122.683 -16.785 -0.405 1.00 0.00 H new ATOM 1724 N LEU A 112 121.986 -16.230 -3.808 1.00 0.00 N ATOM 1725 CA LEU A 112 120.846 -15.672 -4.525 1.00 0.00 C ATOM 1726 C LEU A 112 119.671 -16.644 -4.475 1.00 0.00 C ATOM 1727 O LEU A 112 119.815 -17.816 -4.823 1.00 0.00 O ATOM 1728 CB LEU A 112 121.233 -15.406 -5.983 1.00 0.00 C ATOM 1729 CG LEU A 112 120.365 -14.286 -6.558 1.00 0.00 C ATOM 1730 CD1 LEU A 112 121.080 -13.647 -7.751 1.00 0.00 C ATOM 1731 CD2 LEU A 112 119.028 -14.868 -7.023 1.00 0.00 C ATOM 0 H LEU A 112 122.255 -17.167 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 112 120.553 -14.735 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 112 122.286 -15.129 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 112 121.107 -16.314 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 112 120.190 -13.532 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 112 120.461 -12.849 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 112 122.035 -13.235 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 112 121.254 -14.402 -8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 112 118.407 -14.071 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 112 119.206 -15.621 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 112 118.517 -15.327 -6.177 1.00 0.00 H new ATOM 1743 N VAL A 113 118.510 -16.161 -4.039 1.00 0.00 N ATOM 1744 CA VAL A 113 117.331 -17.016 -3.952 1.00 0.00 C ATOM 1745 C VAL A 113 116.321 -16.659 -5.036 1.00 0.00 C ATOM 1746 O VAL A 113 115.940 -15.498 -5.191 1.00 0.00 O ATOM 1747 CB VAL A 113 116.685 -16.875 -2.571 1.00 0.00 C ATOM 1748 CG1 VAL A 113 115.166 -17.035 -2.683 1.00 0.00 C ATOM 1749 CG2 VAL A 113 117.242 -17.950 -1.630 1.00 0.00 C ATOM 0 H VAL A 113 118.362 -15.196 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 113 117.644 -18.049 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 113 116.913 -15.886 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 113 114.716 -16.933 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 113 114.767 -16.266 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 113 114.933 -18.020 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 113 116.781 -17.848 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 113 117.020 -18.938 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 113 118.321 -17.830 -1.538 1.00 0.00 H new ATOM 1759 N ILE A 114 115.893 -17.669 -5.783 1.00 0.00 N ATOM 1760 CA ILE A 114 114.926 -17.460 -6.852 1.00 0.00 C ATOM 1761 C ILE A 114 113.599 -18.135 -6.526 1.00 0.00 C ATOM 1762 O ILE A 114 113.551 -19.334 -6.257 1.00 0.00 O ATOM 1763 CB ILE A 114 115.472 -18.012 -8.171 1.00 0.00 C ATOM 1764 CG1 ILE A 114 116.835 -17.380 -8.457 1.00 0.00 C ATOM 1765 CG2 ILE A 114 114.506 -17.666 -9.306 1.00 0.00 C ATOM 1766 CD1 ILE A 114 116.694 -15.858 -8.471 1.00 0.00 C ATOM 0 H ILE A 114 116.198 -18.636 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 114 114.756 -16.388 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 114 115.577 -19.095 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 114 117.556 -17.683 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 114 117.217 -17.730 -9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 114 114.894 -18.059 -10.246 1.00 0.00 H new ATOM 0 HG22 ILE A 114 113.531 -18.109 -9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 114 114.404 -16.583 -9.380 1.00 0.00 H new ATOM 0 HD11 ILE A 114 117.664 -15.405 -8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 114 115.987 -15.565 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 114 116.331 -15.517 -7.501 1.00 0.00 H new ATOM 1778 N VAL A 115 112.528 -17.351 -6.554 1.00 0.00 N ATOM 1779 CA VAL A 115 111.200 -17.876 -6.262 1.00 0.00 C ATOM 1780 C VAL A 115 110.169 -17.272 -7.210 1.00 0.00 C ATOM 1781 O VAL A 115 110.321 -16.140 -7.670 1.00 0.00 O ATOM 1782 CB VAL A 115 110.813 -17.558 -4.817 1.00 0.00 C ATOM 1783 CG1 VAL A 115 112.062 -17.588 -3.935 1.00 0.00 C ATOM 1784 CG2 VAL A 115 110.178 -16.168 -4.754 1.00 0.00 C ATOM 0 H VAL A 115 112.552 -16.355 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 115 111.220 -18.957 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 115 110.099 -18.301 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 115 111.786 -17.361 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 115 112.515 -18.578 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 115 112.777 -16.846 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 115 109.902 -15.940 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 115 110.892 -15.425 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 115 109.287 -16.146 -5.382 1.00 0.00 H new ATOM 1794 N LYS A 116 109.122 -18.036 -7.499 1.00 0.00 N ATOM 1795 CA LYS A 116 108.072 -17.571 -8.394 1.00 0.00 C ATOM 1796 C LYS A 116 107.223 -16.498 -7.719 1.00 0.00 C ATOM 1797 O LYS A 116 107.007 -16.534 -6.507 1.00 0.00 O ATOM 1798 CB LYS A 116 107.189 -18.750 -8.797 1.00 0.00 C ATOM 1799 CG LYS A 116 107.936 -19.614 -9.816 1.00 0.00 C ATOM 1800 CD LYS A 116 106.944 -20.508 -10.557 1.00 0.00 C ATOM 1801 CE LYS A 116 107.538 -20.922 -11.905 1.00 0.00 C ATOM 1802 NZ LYS A 116 106.827 -20.208 -13.002 1.00 0.00 N ATOM 0 H LYS A 116 108.979 -18.975 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 116 108.534 -17.137 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 116 106.931 -19.343 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 116 106.253 -18.389 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 116 108.468 -18.980 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 116 108.684 -20.225 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 116 106.719 -21.392 -9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 116 106.004 -19.978 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 116 108.602 -20.687 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 116 107.446 -22.000 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 107.253 -20.463 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 105.823 -20.480 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 106.908 -19.181 -12.857 1.00 0.00 H new ATOM 1816 N LYS A 117 106.749 -15.542 -8.510 1.00 0.00 N ATOM 1817 CA LYS A 117 105.926 -14.460 -7.979 1.00 0.00 C ATOM 1818 C LYS A 117 104.864 -15.009 -7.033 1.00 0.00 C ATOM 1819 O LYS A 117 104.665 -14.485 -5.937 1.00 0.00 O ATOM 1820 CB LYS A 117 105.250 -13.707 -9.127 1.00 0.00 C ATOM 1821 CG LYS A 117 104.361 -12.599 -8.557 1.00 0.00 C ATOM 1822 CD LYS A 117 105.234 -11.528 -7.902 1.00 0.00 C ATOM 1823 CE LYS A 117 105.053 -11.580 -6.383 1.00 0.00 C ATOM 1824 NZ LYS A 117 105.646 -10.357 -5.771 1.00 0.00 N ATOM 0 H LYS A 117 106.918 -15.493 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 117 106.570 -13.777 -7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 117 106.003 -13.279 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 117 104.653 -14.395 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 117 103.759 -12.157 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 117 103.668 -13.015 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 117 106.281 -11.689 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 117 104.961 -10.542 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 117 103.994 -11.648 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 117 105.533 -12.471 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 106.504 -10.614 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 105.891 -9.678 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 104.957 -9.924 -5.123 1.00 0.00 H new ATOM 1838 N ASP A 118 104.184 -16.067 -7.462 1.00 0.00 N ATOM 1839 CA ASP A 118 103.143 -16.676 -6.643 1.00 0.00 C ATOM 1840 C ASP A 118 103.726 -17.185 -5.329 1.00 0.00 C ATOM 1841 O ASP A 118 102.992 -17.482 -4.385 1.00 0.00 O ATOM 1842 CB ASP A 118 102.495 -17.837 -7.399 1.00 0.00 C ATOM 1843 CG ASP A 118 101.806 -18.779 -6.418 1.00 0.00 C ATOM 1844 OD1 ASP A 118 102.461 -19.695 -5.947 1.00 0.00 O ATOM 1845 OD2 ASP A 118 100.634 -18.571 -6.152 1.00 0.00 O ATOM 0 H ASP A 118 104.333 -16.517 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 118 102.389 -15.919 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 118 101.771 -17.454 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 118 103.251 -18.379 -7.966 1.00 0.00 H new ATOM 1850 N GLY A 119 105.051 -17.285 -5.274 1.00 0.00 N ATOM 1851 CA GLY A 119 105.722 -17.760 -4.070 1.00 0.00 C ATOM 1852 C GLY A 119 106.182 -19.203 -4.241 1.00 0.00 C ATOM 1853 O GLY A 119 106.462 -19.896 -3.263 1.00 0.00 O ATOM 0 H GLY A 119 105.677 -17.045 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 119 106.579 -17.124 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 119 105.045 -17.688 -3.218 1.00 0.00 H new ATOM 1857 N THR A 120 106.257 -19.648 -5.491 1.00 0.00 N ATOM 1858 CA THR A 120 106.684 -21.012 -5.780 1.00 0.00 C ATOM 1859 C THR A 120 108.206 -21.102 -5.816 1.00 0.00 C ATOM 1860 O THR A 120 108.881 -20.178 -6.267 1.00 0.00 O ATOM 1861 CB THR A 120 106.113 -21.465 -7.124 1.00 0.00 C ATOM 1862 OG1 THR A 120 105.138 -20.529 -7.563 1.00 0.00 O ATOM 1863 CG2 THR A 120 105.469 -22.843 -6.971 1.00 0.00 C ATOM 0 H THR A 120 106.030 -19.089 -6.314 1.00 0.00 H new ATOM 0 HA THR A 120 106.312 -21.663 -4.989 1.00 0.00 H new ATOM 0 HB THR A 120 106.917 -21.524 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 120 104.772 -20.818 -8.425 1.00 0.00 H new ATOM 0 HG21 THR A 120 105.063 -23.163 -7.930 1.00 0.00 H new ATOM 0 HG22 THR A 120 106.219 -23.560 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 120 104.665 -22.790 -6.237 1.00 0.00 H new ATOM 1871 N LEU A 121 108.739 -22.223 -5.339 1.00 0.00 N ATOM 1872 CA LEU A 121 110.184 -22.421 -5.326 1.00 0.00 C ATOM 1873 C LEU A 121 110.655 -22.982 -6.660 1.00 0.00 C ATOM 1874 O LEU A 121 109.981 -23.806 -7.278 1.00 0.00 O ATOM 1875 CB LEU A 121 110.573 -23.376 -4.195 1.00 0.00 C ATOM 1876 CG LEU A 121 111.945 -22.990 -3.637 1.00 0.00 C ATOM 1877 CD1 LEU A 121 113.001 -23.119 -4.737 1.00 0.00 C ATOM 1878 CD2 LEU A 121 111.907 -21.544 -3.135 1.00 0.00 C ATOM 0 H LEU A 121 108.198 -23.001 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 121 110.665 -21.457 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 121 109.825 -23.340 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 121 110.596 -24.401 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 121 112.198 -23.655 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 121 113.977 -22.844 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.032 -24.149 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 121 112.747 -22.456 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 121 112.885 -21.271 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 121 111.652 -20.879 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 121 111.158 -21.451 -2.349 1.00 0.00 H new ATOM 1890 N ILE A 122 111.815 -22.517 -7.099 1.00 0.00 N ATOM 1891 CA ILE A 122 112.381 -22.956 -8.367 1.00 0.00 C ATOM 1892 C ILE A 122 113.852 -23.299 -8.197 1.00 0.00 C ATOM 1893 O ILE A 122 114.261 -24.450 -8.359 1.00 0.00 O ATOM 1894 CB ILE A 122 112.237 -21.832 -9.387 1.00 0.00 C ATOM 1895 CG1 ILE A 122 113.048 -22.162 -10.641 1.00 0.00 C ATOM 1896 CG2 ILE A 122 112.747 -20.526 -8.774 1.00 0.00 C ATOM 1897 CD1 ILE A 122 112.187 -21.912 -11.879 1.00 0.00 C ATOM 0 H ILE A 122 112.383 -21.835 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 122 111.851 -23.845 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 122 111.188 -21.723 -9.661 1.00 0.00 H new ATOM 0 HG12 ILE A 122 113.947 -21.547 -10.679 1.00 0.00 H new ATOM 0 HG13 ILE A 122 113.374 -23.202 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 122 112.646 -19.719 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 122 112.163 -20.289 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 122 113.796 -20.638 -8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 122 112.762 -22.146 -12.775 1.00 0.00 H new ATOM 0 HD12 ILE A 122 111.301 -22.546 -11.840 1.00 0.00 H new ATOM 0 HD13 ILE A 122 111.883 -20.865 -11.906 1.00 0.00 H new ATOM 1909 N SER A 123 114.638 -22.287 -7.866 1.00 0.00 N ATOM 1910 CA SER A 123 116.071 -22.470 -7.667 1.00 0.00 C ATOM 1911 C SER A 123 116.563 -21.604 -6.510 1.00 0.00 C ATOM 1912 O SER A 123 116.469 -20.377 -6.558 1.00 0.00 O ATOM 1913 CB SER A 123 116.827 -22.098 -8.941 1.00 0.00 C ATOM 1914 OG SER A 123 116.272 -22.809 -10.040 1.00 0.00 O ATOM 0 H SER A 123 114.311 -21.331 -7.729 1.00 0.00 H new ATOM 0 HA SER A 123 116.256 -23.517 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 123 116.761 -21.024 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 123 117.885 -22.339 -8.834 1.00 0.00 H new ATOM 0 HG SER A 123 116.206 -22.213 -10.815 1.00 0.00 H new ATOM 1920 N MET A 124 117.086 -22.249 -5.472 1.00 0.00 N ATOM 1921 CA MET A 124 117.588 -21.524 -4.311 1.00 0.00 C ATOM 1922 C MET A 124 119.001 -21.012 -4.568 1.00 0.00 C ATOM 1923 O MET A 124 119.329 -19.875 -4.232 1.00 0.00 O ATOM 1924 CB MET A 124 117.582 -22.435 -3.082 1.00 0.00 C ATOM 1925 CG MET A 124 116.641 -21.857 -2.022 1.00 0.00 C ATOM 1926 SD MET A 124 114.937 -21.881 -2.643 1.00 0.00 S ATOM 1927 CE MET A 124 114.823 -20.143 -3.145 1.00 0.00 C ATOM 0 H MET A 124 117.173 -23.263 -5.411 1.00 0.00 H new ATOM 0 HA MET A 124 116.935 -20.670 -4.129 1.00 0.00 H new ATOM 0 HB2 MET A 124 117.260 -23.438 -3.361 1.00 0.00 H new ATOM 0 HB3 MET A 124 118.590 -22.525 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 124 116.712 -22.438 -1.103 1.00 0.00 H new ATOM 0 HG3 MET A 124 116.935 -20.836 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 124 114.282 -20.072 -4.088 1.00 0.00 H new ATOM 0 HE2 MET A 124 114.293 -19.577 -2.379 1.00 0.00 H new ATOM 0 HE3 MET A 124 115.826 -19.734 -3.270 1.00 0.00 H new ATOM 1937 N ASN A 125 119.828 -21.854 -5.176 1.00 0.00 N ATOM 1938 CA ASN A 125 121.197 -21.469 -5.484 1.00 0.00 C ATOM 1939 C ASN A 125 121.248 -20.826 -6.863 1.00 0.00 C ATOM 1940 O ASN A 125 122.121 -21.131 -7.672 1.00 0.00 O ATOM 1941 CB ASN A 125 122.109 -22.698 -5.454 1.00 0.00 C ATOM 1942 CG ASN A 125 123.535 -22.297 -5.813 1.00 0.00 C ATOM 1943 OD1 ASN A 125 123.835 -21.033 -5.943 1.00 0.00 O flip ATOM 1944 ND2 ASN A 125 124.400 -23.157 -5.980 1.00 0.00 N flip ATOM 0 H ASN A 125 119.576 -22.800 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 125 121.542 -20.754 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 125 122.089 -23.152 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 125 121.746 -23.448 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 125 124.164 -24.144 -5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 125 125.353 -22.882 -6.220 1.00 0.00 H new ATOM 1951 N GLY A 126 120.294 -19.938 -7.121 1.00 0.00 N ATOM 1952 CA GLY A 126 120.220 -19.255 -8.406 1.00 0.00 C ATOM 1953 C GLY A 126 121.604 -18.844 -8.896 1.00 0.00 C ATOM 1954 O GLY A 126 121.818 -18.676 -10.096 1.00 0.00 O ATOM 0 H GLY A 126 119.564 -19.675 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 126 119.751 -19.909 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 126 119.587 -18.372 -8.315 1.00 0.00 H new ATOM 1958 N ARG A 127 122.543 -18.696 -7.967 1.00 0.00 N ATOM 1959 CA ARG A 127 123.907 -18.312 -8.323 1.00 0.00 C ATOM 1960 C ARG A 127 124.704 -19.543 -8.737 1.00 0.00 C ATOM 1961 O ARG A 127 125.884 -19.455 -9.084 1.00 0.00 O ATOM 1962 CB ARG A 127 124.581 -17.644 -7.124 1.00 0.00 C ATOM 1963 CG ARG A 127 126.071 -17.456 -7.407 1.00 0.00 C ATOM 1964 CD ARG A 127 126.853 -18.643 -6.842 1.00 0.00 C ATOM 1965 NE ARG A 127 127.323 -18.342 -5.496 1.00 0.00 N ATOM 1966 CZ ARG A 127 128.530 -17.824 -5.289 1.00 0.00 C ATOM 1967 NH1 ARG A 127 129.316 -17.578 -6.301 1.00 0.00 N ATOM 1968 NH2 ARG A 127 128.930 -17.563 -4.074 1.00 0.00 N ATOM 0 H ARG A 127 122.388 -18.835 -6.968 1.00 0.00 H new ATOM 0 HA ARG A 127 123.874 -17.612 -9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 127 124.115 -16.679 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 127 124.445 -18.255 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 127 126.240 -17.374 -8.481 1.00 0.00 H new ATOM 0 HG3 ARG A 127 126.423 -16.528 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 127 126.219 -19.530 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 127 127.701 -18.870 -7.489 1.00 0.00 H new ATOM 0 HE ARG A 127 126.716 -18.532 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 127 129.004 -17.783 -7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 127 130.242 -17.181 -6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 127 128.316 -17.756 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 127 129.856 -17.166 -3.916 1.00 0.00 H new ATOM 1982 N GLY A 128 124.018 -20.675 -8.766 1.00 0.00 N ATOM 1983 CA GLY A 128 124.631 -21.926 -9.189 1.00 0.00 C ATOM 1984 C GLY A 128 124.509 -22.062 -10.694 1.00 0.00 C ATOM 1985 O GLY A 128 125.506 -22.113 -11.415 1.00 0.00 O ATOM 0 H GLY A 128 123.036 -20.754 -8.502 1.00 0.00 H new ATOM 0 HA2 GLY A 128 125.680 -21.948 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 128 124.144 -22.767 -8.696 1.00 0.00 H new ATOM 1989 N GLU A 129 123.269 -22.101 -11.156 1.00 0.00 N ATOM 1990 CA GLU A 129 123.001 -22.209 -12.577 1.00 0.00 C ATOM 1991 C GLU A 129 123.335 -20.891 -13.261 1.00 0.00 C ATOM 1992 O GLU A 129 123.632 -20.859 -14.453 1.00 0.00 O ATOM 1993 CB GLU A 129 121.530 -22.559 -12.811 1.00 0.00 C ATOM 1994 CG GLU A 129 121.163 -23.794 -11.986 1.00 0.00 C ATOM 1995 CD GLU A 129 121.245 -25.044 -12.855 1.00 0.00 C ATOM 1996 OE1 GLU A 129 121.768 -24.945 -13.953 1.00 0.00 O ATOM 1997 OE2 GLU A 129 120.784 -26.083 -12.410 1.00 0.00 O ATOM 0 H GLU A 129 122.437 -22.059 -10.568 1.00 0.00 H new ATOM 0 HA GLU A 129 123.621 -23.001 -12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 129 120.896 -21.718 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 129 121.354 -22.750 -13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 129 121.838 -23.887 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 129 120.156 -23.686 -11.583 1.00 0.00 H new ATOM 2004 N VAL A 130 123.288 -19.799 -12.499 1.00 0.00 N ATOM 2005 CA VAL A 130 123.592 -18.491 -13.061 1.00 0.00 C ATOM 2006 C VAL A 130 125.083 -18.335 -13.303 1.00 0.00 C ATOM 2007 O VAL A 130 125.495 -17.962 -14.397 1.00 0.00 O ATOM 2008 CB VAL A 130 123.104 -17.374 -12.140 1.00 0.00 C ATOM 2009 CG1 VAL A 130 123.920 -16.107 -12.397 1.00 0.00 C ATOM 2010 CG2 VAL A 130 121.628 -17.091 -12.423 1.00 0.00 C ATOM 0 H VAL A 130 123.046 -19.796 -11.508 1.00 0.00 H new ATOM 0 HA VAL A 130 123.070 -18.417 -14.015 1.00 0.00 H new ATOM 0 HB VAL A 130 123.226 -17.681 -11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 130 123.572 -15.310 -11.740 1.00 0.00 H new ATOM 0 HG12 VAL A 130 124.973 -16.306 -12.199 1.00 0.00 H new ATOM 0 HG13 VAL A 130 123.798 -15.800 -13.436 1.00 0.00 H new ATOM 0 HG21 VAL A 130 121.278 -16.294 -11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 130 121.509 -16.784 -13.462 1.00 0.00 H new ATOM 0 HG23 VAL A 130 121.043 -17.993 -12.242 1.00 0.00 H new ATOM 2020 N GLN A 131 125.902 -18.627 -12.299 1.00 0.00 N ATOM 2021 CA GLN A 131 127.339 -18.501 -12.488 1.00 0.00 C ATOM 2022 C GLN A 131 127.837 -19.595 -13.423 1.00 0.00 C ATOM 2023 O GLN A 131 128.814 -19.410 -14.150 1.00 0.00 O ATOM 2024 CB GLN A 131 128.061 -18.592 -11.144 1.00 0.00 C ATOM 2025 CG GLN A 131 128.068 -17.214 -10.478 1.00 0.00 C ATOM 2026 CD GLN A 131 128.696 -17.306 -9.092 1.00 0.00 C ATOM 2027 OE1 GLN A 131 128.273 -16.609 -8.170 1.00 0.00 O ATOM 2028 NE2 GLN A 131 129.688 -18.130 -8.889 1.00 0.00 N ATOM 0 H GLN A 131 125.607 -18.943 -11.375 1.00 0.00 H new ATOM 0 HA GLN A 131 127.551 -17.529 -12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 131 127.564 -19.317 -10.500 1.00 0.00 H new ATOM 0 HB3 GLN A 131 129.083 -18.943 -11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 131 128.626 -16.507 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 131 127.049 -16.834 -10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 131 130.037 -18.707 -9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 131 130.114 -18.197 -7.965 1.00 0.00 H new ATOM 2037 N SER A 132 127.163 -20.739 -13.392 1.00 0.00 N ATOM 2038 CA SER A 132 127.545 -21.864 -14.233 1.00 0.00 C ATOM 2039 C SER A 132 127.096 -21.653 -15.676 1.00 0.00 C ATOM 2040 O SER A 132 127.846 -21.937 -16.611 1.00 0.00 O ATOM 2041 CB SER A 132 126.924 -23.151 -13.690 1.00 0.00 C ATOM 2042 OG SER A 132 127.595 -23.528 -12.495 1.00 0.00 O ATOM 0 H SER A 132 126.353 -20.910 -12.796 1.00 0.00 H new ATOM 0 HA SER A 132 128.632 -21.942 -14.219 1.00 0.00 H new ATOM 0 HB2 SER A 132 125.862 -23.001 -13.493 1.00 0.00 H new ATOM 0 HB3 SER A 132 127.002 -23.947 -14.431 1.00 0.00 H new ATOM 0 HG SER A 132 127.119 -23.158 -11.722 1.00 0.00 H new ATOM 2048 N LEU A 133 125.867 -21.176 -15.863 1.00 0.00 N ATOM 2049 CA LEU A 133 125.348 -20.963 -17.204 1.00 0.00 C ATOM 2050 C LEU A 133 125.178 -19.482 -17.525 1.00 0.00 C ATOM 2051 O LEU A 133 124.772 -19.133 -18.631 1.00 0.00 O ATOM 2052 CB LEU A 133 123.999 -21.661 -17.352 1.00 0.00 C ATOM 2053 CG LEU A 133 124.216 -23.082 -17.859 1.00 0.00 C ATOM 2054 CD1 LEU A 133 122.870 -23.800 -17.937 1.00 0.00 C ATOM 2055 CD2 LEU A 133 124.854 -23.029 -19.248 1.00 0.00 C ATOM 0 H LEU A 133 125.222 -20.934 -15.111 1.00 0.00 H new ATOM 0 HA LEU A 133 126.073 -21.380 -17.903 1.00 0.00 H new ATOM 0 HB2 LEU A 133 123.480 -21.681 -16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 133 123.366 -21.108 -18.046 1.00 0.00 H new ATOM 0 HG LEU A 133 124.875 -23.622 -17.178 1.00 0.00 H new ATOM 0 HD11 LEU A 133 123.021 -24.817 -18.299 1.00 0.00 H new ATOM 0 HD12 LEU A 133 122.416 -23.831 -16.946 1.00 0.00 H new ATOM 0 HD13 LEU A 133 122.211 -23.265 -18.621 1.00 0.00 H new ATOM 0 HD21 LEU A 133 125.011 -24.043 -19.615 1.00 0.00 H new ATOM 0 HD22 LEU A 133 124.194 -22.494 -19.931 1.00 0.00 H new ATOM 0 HD23 LEU A 133 125.812 -22.512 -19.189 1.00 0.00 H new ATOM 2067 N GLY A 134 125.480 -18.608 -16.572 1.00 0.00 N ATOM 2068 CA GLY A 134 125.330 -17.180 -16.826 1.00 0.00 C ATOM 2069 C GLY A 134 123.902 -16.867 -17.269 1.00 0.00 C ATOM 2070 O GLY A 134 122.949 -17.499 -16.815 1.00 0.00 O ATOM 0 H GLY A 134 125.821 -18.852 -15.642 1.00 0.00 H new ATOM 0 HA2 GLY A 134 125.570 -16.616 -15.925 1.00 0.00 H new ATOM 0 HA3 GLY A 134 126.034 -16.865 -17.596 1.00 0.00 H new ATOM 2074 N PRO A 135 123.745 -15.907 -18.138 1.00 0.00 N ATOM 2075 CA PRO A 135 122.406 -15.495 -18.656 1.00 0.00 C ATOM 2076 C PRO A 135 121.604 -16.672 -19.211 1.00 0.00 C ATOM 2077 O PRO A 135 120.373 -16.662 -19.185 1.00 0.00 O ATOM 2078 CB PRO A 135 122.727 -14.490 -19.766 1.00 0.00 C ATOM 2079 CG PRO A 135 124.116 -14.006 -19.498 1.00 0.00 C ATOM 2080 CD PRO A 135 124.833 -15.111 -18.724 1.00 0.00 C ATOM 0 HA PRO A 135 121.784 -15.078 -17.864 1.00 0.00 H new ATOM 0 HB2 PRO A 135 122.660 -14.959 -20.748 1.00 0.00 H new ATOM 0 HB3 PRO A 135 122.018 -13.662 -19.759 1.00 0.00 H new ATOM 0 HG2 PRO A 135 124.636 -13.790 -20.431 1.00 0.00 H new ATOM 0 HG3 PRO A 135 124.098 -13.081 -18.922 1.00 0.00 H new ATOM 0 HD2 PRO A 135 125.459 -15.715 -19.381 1.00 0.00 H new ATOM 0 HD3 PRO A 135 125.484 -14.699 -17.953 1.00 0.00 H new ATOM 2088 N ARG A 136 122.305 -17.685 -19.709 1.00 0.00 N ATOM 2089 CA ARG A 136 121.642 -18.862 -20.264 1.00 0.00 C ATOM 2090 C ARG A 136 121.003 -19.672 -19.148 1.00 0.00 C ATOM 2091 O ARG A 136 120.283 -20.639 -19.395 1.00 0.00 O ATOM 2092 CB ARG A 136 122.652 -19.729 -21.017 1.00 0.00 C ATOM 2093 CG ARG A 136 123.837 -18.866 -21.448 1.00 0.00 C ATOM 2094 CD ARG A 136 124.348 -19.339 -22.810 1.00 0.00 C ATOM 2095 NE ARG A 136 125.791 -19.146 -22.903 1.00 0.00 N ATOM 2096 CZ ARG A 136 126.415 -19.190 -24.076 1.00 0.00 C ATOM 2097 NH1 ARG A 136 125.737 -19.410 -25.168 1.00 0.00 N ATOM 2098 NH2 ARG A 136 127.706 -19.014 -24.134 1.00 0.00 N ATOM 0 H ARG A 136 123.324 -17.716 -19.740 1.00 0.00 H new ATOM 0 HA ARG A 136 120.868 -18.534 -20.958 1.00 0.00 H new ATOM 0 HB2 ARG A 136 122.994 -20.545 -20.380 1.00 0.00 H new ATOM 0 HB3 ARG A 136 122.181 -20.182 -21.889 1.00 0.00 H new ATOM 0 HG2 ARG A 136 123.536 -17.820 -21.504 1.00 0.00 H new ATOM 0 HG3 ARG A 136 124.634 -18.929 -20.707 1.00 0.00 H new ATOM 0 HD2 ARG A 136 124.105 -20.392 -22.952 1.00 0.00 H new ATOM 0 HD3 ARG A 136 123.848 -18.787 -23.606 1.00 0.00 H new ATOM 0 HE ARG A 136 126.330 -18.974 -22.054 1.00 0.00 H new ATOM 0 HH11 ARG A 136 124.727 -19.548 -25.122 1.00 0.00 H new ATOM 0 HH12 ARG A 136 126.216 -19.444 -26.068 1.00 0.00 H new ATOM 0 HH21 ARG A 136 128.236 -18.843 -23.280 1.00 0.00 H new ATOM 0 HH22 ARG A 136 128.185 -19.048 -25.034 1.00 0.00 H new ATOM 2112 N ALA A 137 121.273 -19.259 -17.918 1.00 0.00 N ATOM 2113 CA ALA A 137 120.722 -19.940 -16.753 1.00 0.00 C ATOM 2114 C ALA A 137 119.245 -19.595 -16.583 1.00 0.00 C ATOM 2115 O ALA A 137 118.518 -20.276 -15.859 1.00 0.00 O ATOM 2116 CB ALA A 137 121.492 -19.531 -15.498 1.00 0.00 C ATOM 0 H ALA A 137 121.868 -18.459 -17.700 1.00 0.00 H new ATOM 0 HA ALA A 137 120.818 -21.015 -16.902 1.00 0.00 H new ATOM 0 HB1 ALA A 137 121.074 -20.044 -14.632 1.00 0.00 H new ATOM 0 HB2 ALA A 137 122.541 -19.803 -15.610 1.00 0.00 H new ATOM 0 HB3 ALA A 137 121.410 -18.453 -15.356 1.00 0.00 H new ATOM 2122 N PHE A 138 118.805 -18.537 -17.259 1.00 0.00 N ATOM 2123 CA PHE A 138 117.412 -18.118 -17.177 1.00 0.00 C ATOM 2124 C PHE A 138 116.493 -19.334 -17.193 1.00 0.00 C ATOM 2125 O PHE A 138 115.397 -19.307 -16.631 1.00 0.00 O ATOM 2126 CB PHE A 138 117.071 -17.204 -18.356 1.00 0.00 C ATOM 2127 CG PHE A 138 115.571 -17.123 -18.512 1.00 0.00 C ATOM 2128 CD1 PHE A 138 114.765 -16.850 -17.401 1.00 0.00 C ATOM 2129 CD2 PHE A 138 114.987 -17.321 -19.769 1.00 0.00 C ATOM 2130 CE1 PHE A 138 113.375 -16.774 -17.546 1.00 0.00 C ATOM 2131 CE2 PHE A 138 113.597 -17.245 -19.915 1.00 0.00 C ATOM 2132 CZ PHE A 138 112.791 -16.972 -18.804 1.00 0.00 C ATOM 0 H PHE A 138 119.388 -17.959 -17.864 1.00 0.00 H new ATOM 0 HA PHE A 138 117.267 -17.574 -16.244 1.00 0.00 H new ATOM 0 HB2 PHE A 138 117.484 -16.209 -18.190 1.00 0.00 H new ATOM 0 HB3 PHE A 138 117.522 -17.589 -19.271 1.00 0.00 H new ATOM 0 HD1 PHE A 138 115.216 -16.698 -16.431 1.00 0.00 H new ATOM 0 HD2 PHE A 138 115.609 -17.532 -20.626 1.00 0.00 H new ATOM 0 HE1 PHE A 138 112.753 -16.563 -16.689 1.00 0.00 H new ATOM 0 HE2 PHE A 138 113.147 -17.397 -20.885 1.00 0.00 H new ATOM 0 HZ PHE A 138 111.718 -16.914 -18.916 1.00 0.00 H new ATOM 2142 N GLN A 139 116.950 -20.402 -17.839 1.00 0.00 N ATOM 2143 CA GLN A 139 116.166 -21.628 -17.921 1.00 0.00 C ATOM 2144 C GLN A 139 116.054 -22.279 -16.548 1.00 0.00 C ATOM 2145 O GLN A 139 115.023 -22.856 -16.204 1.00 0.00 O ATOM 2146 CB GLN A 139 116.820 -22.600 -18.904 1.00 0.00 C ATOM 2147 CG GLN A 139 117.811 -23.495 -18.157 1.00 0.00 C ATOM 2148 CD GLN A 139 118.725 -24.205 -19.150 1.00 0.00 C ATOM 2149 OE1 GLN A 139 119.329 -23.562 -20.009 1.00 0.00 O ATOM 2150 NE2 GLN A 139 118.863 -25.502 -19.085 1.00 0.00 N ATOM 0 H GLN A 139 117.854 -20.443 -18.310 1.00 0.00 H new ATOM 0 HA GLN A 139 115.165 -21.379 -18.274 1.00 0.00 H new ATOM 0 HB2 GLN A 139 116.058 -23.210 -19.390 1.00 0.00 H new ATOM 0 HB3 GLN A 139 117.334 -22.047 -19.690 1.00 0.00 H new ATOM 0 HG2 GLN A 139 118.406 -22.896 -17.467 1.00 0.00 H new ATOM 0 HG3 GLN A 139 117.271 -24.229 -17.558 1.00 0.00 H new ATOM 0 HE21 GLN A 139 118.362 -26.033 -18.373 1.00 0.00 H new ATOM 0 HE22 GLN A 139 119.472 -25.984 -19.746 1.00 0.00 H new ATOM 2159 N ASN A 140 117.123 -22.177 -15.766 1.00 0.00 N ATOM 2160 CA ASN A 140 117.137 -22.755 -14.428 1.00 0.00 C ATOM 2161 C ASN A 140 116.266 -21.933 -13.487 1.00 0.00 C ATOM 2162 O ASN A 140 115.515 -22.479 -12.679 1.00 0.00 O ATOM 2163 CB ASN A 140 118.569 -22.802 -13.893 1.00 0.00 C ATOM 2164 CG ASN A 140 119.277 -24.052 -14.406 1.00 0.00 C ATOM 2165 OD1 ASN A 140 119.020 -25.155 -13.925 1.00 0.00 O ATOM 2166 ND2 ASN A 140 120.158 -23.943 -15.362 1.00 0.00 N ATOM 0 H ASN A 140 117.986 -21.703 -16.033 1.00 0.00 H new ATOM 0 HA ASN A 140 116.740 -23.769 -14.484 1.00 0.00 H new ATOM 0 HB2 ASN A 140 119.113 -21.911 -14.207 1.00 0.00 H new ATOM 0 HB3 ASN A 140 118.559 -22.801 -12.803 1.00 0.00 H new ATOM 0 HD21 ASN A 140 120.636 -24.773 -15.712 1.00 0.00 H new ATOM 0 HD22 ASN A 140 120.369 -23.027 -15.759 1.00 0.00 H new ATOM 2173 N TRP A 141 116.369 -20.614 -13.604 1.00 0.00 N ATOM 2174 CA TRP A 141 115.582 -19.718 -12.764 1.00 0.00 C ATOM 2175 C TRP A 141 114.103 -19.829 -13.113 1.00 0.00 C ATOM 2176 O TRP A 141 113.237 -19.531 -12.290 1.00 0.00 O ATOM 2177 CB TRP A 141 116.046 -18.273 -12.965 1.00 0.00 C ATOM 2178 CG TRP A 141 117.270 -18.016 -12.145 1.00 0.00 C ATOM 2179 CD1 TRP A 141 118.127 -18.968 -11.705 1.00 0.00 C ATOM 2180 CD2 TRP A 141 117.790 -16.744 -11.663 1.00 0.00 C ATOM 2181 NE1 TRP A 141 119.135 -18.359 -10.981 1.00 0.00 N ATOM 2182 CE2 TRP A 141 118.973 -16.990 -10.927 1.00 0.00 C ATOM 2183 CE3 TRP A 141 117.354 -15.413 -11.791 1.00 0.00 C ATOM 2184 CZ2 TRP A 141 119.698 -15.953 -10.340 1.00 0.00 C ATOM 2185 CZ3 TRP A 141 118.083 -14.367 -11.202 1.00 0.00 C ATOM 2186 CH2 TRP A 141 119.252 -14.637 -10.478 1.00 0.00 C ATOM 0 H TRP A 141 116.985 -20.144 -14.267 1.00 0.00 H new ATOM 0 HA TRP A 141 115.725 -20.004 -11.722 1.00 0.00 H new ATOM 0 HB2 TRP A 141 116.258 -18.093 -14.019 1.00 0.00 H new ATOM 0 HB3 TRP A 141 115.253 -17.583 -12.677 1.00 0.00 H new ATOM 0 HD1 TRP A 141 118.038 -20.028 -11.889 1.00 0.00 H new ATOM 0 HE1 TRP A 141 119.906 -18.861 -10.540 1.00 0.00 H new ATOM 0 HE3 TRP A 141 116.453 -15.194 -12.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 120.598 -16.166 -9.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 117.740 -13.348 -11.308 1.00 0.00 H new ATOM 0 HH2 TRP A 141 119.808 -13.828 -10.027 1.00 0.00 H new ATOM 2197 N ALA A 142 113.821 -20.258 -14.339 1.00 0.00 N ATOM 2198 CA ALA A 142 112.443 -20.405 -14.790 1.00 0.00 C ATOM 2199 C ALA A 142 112.147 -21.851 -15.144 1.00 0.00 C ATOM 2200 O ALA A 142 111.082 -22.176 -15.669 1.00 0.00 O ATOM 2201 CB ALA A 142 112.181 -19.506 -16.000 1.00 0.00 C ATOM 0 H ALA A 142 114.524 -20.509 -15.034 1.00 0.00 H new ATOM 0 HA ALA A 142 111.783 -20.104 -13.976 1.00 0.00 H new ATOM 0 HB1 ALA A 142 111.148 -19.626 -16.326 1.00 0.00 H new ATOM 0 HB2 ALA A 142 112.356 -18.466 -15.725 1.00 0.00 H new ATOM 0 HB3 ALA A 142 112.852 -19.784 -16.812 1.00 0.00 H new ATOM 2207 N ARG A 143 113.103 -22.710 -14.850 1.00 0.00 N ATOM 2208 CA ARG A 143 112.963 -24.134 -15.132 1.00 0.00 C ATOM 2209 C ARG A 143 112.078 -24.353 -16.355 1.00 0.00 C ATOM 2210 O ARG A 143 112.477 -23.943 -17.432 1.00 0.00 O ATOM 2211 CB ARG A 143 112.354 -24.849 -13.925 1.00 0.00 C ATOM 2212 CG ARG A 143 113.424 -25.033 -12.847 1.00 0.00 C ATOM 2213 CD ARG A 143 112.758 -25.435 -11.530 1.00 0.00 C ATOM 2214 NE ARG A 143 112.231 -26.791 -11.623 1.00 0.00 N ATOM 2215 CZ ARG A 143 111.757 -27.419 -10.552 1.00 0.00 C ATOM 2216 NH1 ARG A 143 111.761 -26.823 -9.391 1.00 0.00 N ATOM 2217 NH2 ARG A 143 111.290 -28.633 -10.661 1.00 0.00 N ATOM 2218 OXT ARG A 143 111.013 -24.928 -16.196 1.00 0.00 O ATOM 0 H ARG A 143 113.988 -22.451 -14.415 1.00 0.00 H new ATOM 0 HA ARG A 143 113.953 -24.544 -15.335 1.00 0.00 H new ATOM 0 HB2 ARG A 143 111.520 -24.270 -13.529 1.00 0.00 H new ATOM 0 HB3 ARG A 143 111.955 -25.818 -14.226 1.00 0.00 H new ATOM 0 HG2 ARG A 143 114.137 -25.798 -13.154 1.00 0.00 H new ATOM 0 HG3 ARG A 143 113.985 -24.108 -12.715 1.00 0.00 H new ATOM 0 HD2 ARG A 143 113.480 -25.373 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 143 111.952 -24.740 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 143 112.226 -27.266 -12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 143 112.128 -25.875 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 143 111.397 -27.305 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 143 111.289 -29.099 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 143 110.926 -29.115 -9.839 1.00 0.00 H new TER 2232 ARG A 143