USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 958 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 27 ASN :FLIP amide:sc= 0.635 F(o=-1.2,f=1.5) USER MOD Set 1.2: A 32 GLN :FLIP amide:sc= 0.878 F(o=-0.72,f=1.5) USER MOD Set 2.1: A 1 MET N :NH3+ -167:sc= 0.0038 (180deg=0) USER MOD Set 2.2: A 2 SER OG : rot 140:sc= -0.465 USER MOD Set 2.3: A 72 GLN : amide:sc= -0.446 X(o=-1.2,f=-1.2) USER MOD Set 2.4: A 111 LYS NZ :NH3+ 147:sc= -0.303 (180deg=-1.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.452 F(o=-1.2,f=-0.45) USER MOD Single : A 6 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.9) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -110:sc= -0.82 (180deg=-2.91!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -65:sc= 1.21 USER MOD Single : A 25 GLN : amide:sc= 0.306 X(o=0.31,f=-0.078) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 37 GLN : amide:sc=-0.00727 K(o=-0.0073,f=-1.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -57:sc= -0.293! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -74:sc= 1.05 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.136 USER MOD Single : A 51 ASN : amide:sc= -0.741 X(o=-0.74,f=-0.72) USER MOD Single : A 53 CYS SG : rot -177:sc= -0.0345 USER MOD Single : A 57 THR OG1 : rot 174:sc= -0.489 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -100:sc= 1.09 USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= 0.58 (180deg=-0.482) USER MOD Single : A 83 MET CE :methyl 150:sc= -2.16 (180deg=-4.89!) USER MOD Single : A 85 ASN :FLIP amide:sc= -1.06 F(o=-1.7,f=-1.1) USER MOD Single : A 86 ASN : amide:sc= -0.931 K(o=-0.93,f=-5.2!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.0395 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.998 X(o=-1,f=-0.73) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.235 1.981 -3.074 1.00 33.30 N ATOM 2 CA MET A 1 1.436 1.109 -1.922 1.00 61.15 C ATOM 3 C MET A 1 2.709 1.486 -1.171 1.00 61.33 C ATOM 4 O MET A 1 3.745 0.839 -1.323 1.00 63.15 O ATOM 5 CB MET A 1 1.507 -0.353 -2.369 1.00 0.23 C ATOM 6 CG MET A 1 0.145 -1.014 -2.503 1.00 51.23 C ATOM 7 SD MET A 1 -0.597 -1.408 -0.908 1.00 24.22 S ATOM 8 CE MET A 1 -2.135 -2.165 -1.427 1.00 25.30 C ATOM 0 H1 MET A 1 0.269 1.858 -3.438 1.00 33.30 H new ATOM 0 H2 MET A 1 1.374 2.971 -2.788 1.00 33.30 H new ATOM 0 H3 MET A 1 1.919 1.736 -3.818 1.00 33.30 H new ATOM 0 HA MET A 1 0.588 1.235 -1.249 1.00 61.15 H new ATOM 0 HB2 MET A 1 2.024 -0.407 -3.327 1.00 0.23 H new ATOM 0 HB3 MET A 1 2.106 -0.915 -1.652 1.00 0.23 H new ATOM 0 HG2 MET A 1 -0.522 -0.353 -3.056 1.00 51.23 H new ATOM 0 HG3 MET A 1 0.245 -1.928 -3.088 1.00 51.23 H new ATOM 0 HE1 MET A 1 -2.708 -2.464 -0.549 1.00 25.30 H new ATOM 0 HE2 MET A 1 -2.713 -1.450 -2.012 1.00 25.30 H new ATOM 0 HE3 MET A 1 -1.921 -3.043 -2.036 1.00 25.30 H new ATOM 18 N SER A 2 2.624 2.536 -0.361 1.00 30.21 N ATOM 19 CA SER A 2 3.771 3.001 0.411 1.00 74.13 C ATOM 20 C SER A 2 3.370 4.137 1.348 1.00 64.45 C ATOM 21 O SER A 2 2.201 4.513 1.419 1.00 71.04 O ATOM 22 CB SER A 2 4.887 3.467 -0.526 1.00 22.42 C ATOM 23 OG SER A 2 4.494 4.616 -1.256 1.00 24.21 O ATOM 0 H SER A 2 1.773 3.081 -0.222 1.00 30.21 H new ATOM 0 HA SER A 2 4.135 2.168 1.013 1.00 74.13 H new ATOM 0 HB2 SER A 2 5.783 3.689 0.053 1.00 22.42 H new ATOM 0 HB3 SER A 2 5.145 2.664 -1.217 1.00 22.42 H new ATOM 0 HG SER A 2 5.248 5.239 -1.317 1.00 24.21 H new ATOM 29 N GLN A 3 4.350 4.677 2.064 1.00 5.41 N ATOM 30 CA GLN A 3 4.101 5.769 2.997 1.00 12.53 C ATOM 31 C GLN A 3 4.577 7.098 2.420 1.00 4.33 C ATOM 32 O GLN A 3 5.744 7.247 2.060 1.00 62.54 O ATOM 33 CB GLN A 3 4.800 5.499 4.331 1.00 70.13 C ATOM 34 CG GLN A 3 3.909 5.725 5.542 1.00 62.24 C ATOM 35 CD GLN A 3 3.157 7.039 5.475 1.00 14.14 C ATOM 36 OE1 GLN A 3 1.926 7.062 5.429 1.00 23.44 O ATOM 37 NE2 GLN A 3 3.893 8.144 5.471 1.00 63.24 N ATOM 0 H GLN A 3 5.324 4.376 2.016 1.00 5.41 H new ATOM 0 HA GLN A 3 3.026 5.831 3.165 1.00 12.53 H new ATOM 0 HB2 GLN A 3 5.159 4.470 4.342 1.00 70.13 H new ATOM 0 HB3 GLN A 3 5.676 6.143 4.410 1.00 70.13 H new ATOM 0 HG2 GLN A 3 3.195 4.905 5.621 1.00 62.24 H new ATOM 0 HG3 GLN A 3 4.518 5.705 6.446 1.00 62.24 H new ATOM 0 HE21 GLN A 3 4.910 8.079 5.510 1.00 63.24 H new ATOM 0 HE22 GLN A 3 3.441 9.058 5.429 1.00 63.24 H new ATOM 46 N ASN A 4 3.666 8.062 2.336 1.00 40.12 N ATOM 47 CA ASN A 4 3.993 9.379 1.801 1.00 24.14 C ATOM 48 C ASN A 4 4.835 10.175 2.794 1.00 13.23 C ATOM 49 O ASN A 4 4.330 11.069 3.474 1.00 3.11 O ATOM 50 CB ASN A 4 2.714 10.149 1.467 1.00 63.11 C ATOM 51 CG ASN A 4 1.702 10.106 2.595 1.00 11.22 C ATOM 52 OD1 ASN A 4 0.849 9.088 2.586 1.00 3.12 O flip ATOM 53 ND2 ASN A 4 1.687 10.978 3.464 1.00 1.44 N flip ATOM 0 H ASN A 4 2.696 7.956 2.632 1.00 40.12 H new ATOM 0 HA ASN A 4 4.573 9.240 0.889 1.00 24.14 H new ATOM 0 HB2 ASN A 4 2.965 11.187 1.247 1.00 63.11 H new ATOM 0 HB3 ASN A 4 2.267 9.731 0.565 1.00 63.11 H new ATOM 0 HD21 ASN A 4 2.362 11.742 3.431 1.00 1.44 H new ATOM 0 HD22 ASN A 4 1.000 10.936 4.217 1.00 1.44 H new ATOM 60 N ARG A 5 6.120 9.844 2.872 1.00 54.43 N ATOM 61 CA ARG A 5 7.031 10.528 3.782 1.00 71.15 C ATOM 62 C ARG A 5 8.483 10.280 3.384 1.00 2.02 C ATOM 63 O ARG A 5 9.136 11.151 2.810 1.00 61.32 O ATOM 64 CB ARG A 5 6.797 10.059 5.219 1.00 41.41 C ATOM 65 CG ARG A 5 7.709 10.729 6.234 1.00 41.22 C ATOM 66 CD ARG A 5 7.600 10.071 7.600 1.00 0.24 C ATOM 67 NE ARG A 5 6.629 10.746 8.457 1.00 10.51 N ATOM 68 CZ ARG A 5 6.848 11.925 9.029 1.00 2.03 C ATOM 69 NH1 ARG A 5 7.999 12.555 8.837 1.00 55.52 N ATOM 70 NH2 ARG A 5 5.915 12.476 9.796 1.00 63.43 N ATOM 0 H ARG A 5 6.553 9.107 2.316 1.00 54.43 H new ATOM 0 HA ARG A 5 6.833 11.598 3.720 1.00 71.15 H new ATOM 0 HB2 ARG A 5 5.760 10.253 5.491 1.00 41.41 H new ATOM 0 HB3 ARG A 5 6.943 8.980 5.268 1.00 41.41 H new ATOM 0 HG2 ARG A 5 8.741 10.679 5.886 1.00 41.22 H new ATOM 0 HG3 ARG A 5 7.451 11.785 6.316 1.00 41.22 H new ATOM 0 HD2 ARG A 5 7.311 9.027 7.477 1.00 0.24 H new ATOM 0 HD3 ARG A 5 8.577 10.077 8.084 1.00 0.24 H new ATOM 0 HE ARG A 5 5.734 10.287 8.626 1.00 10.51 H new ATOM 0 HH11 ARG A 5 8.719 12.135 8.249 1.00 55.52 H new ATOM 0 HH12 ARG A 5 8.165 13.460 9.277 1.00 55.52 H new ATOM 0 HH21 ARG A 5 5.029 11.994 9.947 1.00 63.43 H new ATOM 0 HH22 ARG A 5 6.084 13.381 10.235 1.00 63.43 H new ATOM 84 N GLN A 6 8.981 9.087 3.695 1.00 10.51 N ATOM 85 CA GLN A 6 10.356 8.726 3.371 1.00 1.34 C ATOM 86 C GLN A 6 10.421 7.336 2.747 1.00 3.25 C ATOM 87 O GLN A 6 9.547 6.500 2.976 1.00 34.34 O ATOM 88 CB GLN A 6 11.228 8.776 4.627 1.00 11.03 C ATOM 89 CG GLN A 6 11.302 7.451 5.369 1.00 3.21 C ATOM 90 CD GLN A 6 9.936 6.926 5.764 1.00 22.01 C ATOM 91 OE1 GLN A 6 9.085 7.676 6.243 1.00 31.42 O ATOM 92 NE2 GLN A 6 9.719 5.631 5.565 1.00 41.23 N ATOM 0 H GLN A 6 8.453 8.355 4.170 1.00 10.51 H new ATOM 0 HA GLN A 6 10.734 9.447 2.646 1.00 1.34 H new ATOM 0 HB2 GLN A 6 12.236 9.083 4.348 1.00 11.03 H new ATOM 0 HB3 GLN A 6 10.837 9.539 5.300 1.00 11.03 H new ATOM 0 HG2 GLN A 6 11.802 6.714 4.740 1.00 3.21 H new ATOM 0 HG3 GLN A 6 11.912 7.574 6.264 1.00 3.21 H new ATOM 0 HE21 GLN A 6 10.453 5.046 5.165 1.00 41.23 H new ATOM 0 HE22 GLN A 6 8.818 5.221 5.812 1.00 41.23 H new ATOM 101 N LEU A 7 11.462 7.096 1.958 1.00 24.21 N ATOM 102 CA LEU A 7 11.642 5.806 1.300 1.00 1.22 C ATOM 103 C LEU A 7 12.789 5.026 1.935 1.00 52.10 C ATOM 104 O LEU A 7 13.904 5.533 2.060 1.00 4.13 O ATOM 105 CB LEU A 7 11.911 6.006 -0.192 1.00 53.14 C ATOM 106 CG LEU A 7 10.708 5.833 -1.120 1.00 73.51 C ATOM 107 CD1 LEU A 7 10.491 4.362 -1.443 1.00 54.44 C ATOM 108 CD2 LEU A 7 9.458 6.432 -0.491 1.00 45.33 C ATOM 0 H LEU A 7 12.194 7.777 1.758 1.00 24.21 H new ATOM 0 HA LEU A 7 10.724 5.231 1.424 1.00 1.22 H new ATOM 0 HB2 LEU A 7 12.315 7.008 -0.337 1.00 53.14 H new ATOM 0 HB3 LEU A 7 12.685 5.303 -0.499 1.00 53.14 H new ATOM 0 HG LEU A 7 10.912 6.363 -2.050 1.00 73.51 H new ATOM 0 HD11 LEU A 7 9.631 4.258 -2.104 1.00 54.44 H new ATOM 0 HD12 LEU A 7 11.378 3.963 -1.935 1.00 54.44 H new ATOM 0 HD13 LEU A 7 10.309 3.810 -0.521 1.00 54.44 H new ATOM 0 HD21 LEU A 7 8.612 6.300 -1.166 1.00 45.33 H new ATOM 0 HD22 LEU A 7 9.250 5.931 0.454 1.00 45.33 H new ATOM 0 HD23 LEU A 7 9.615 7.495 -0.311 1.00 45.33 H new ATOM 120 N LEU A 8 12.508 3.790 2.332 1.00 31.01 N ATOM 121 CA LEU A 8 13.517 2.938 2.952 1.00 34.31 C ATOM 122 C LEU A 8 14.784 2.890 2.105 1.00 4.13 C ATOM 123 O LEU A 8 15.800 3.491 2.456 1.00 41.34 O ATOM 124 CB LEU A 8 12.967 1.524 3.148 1.00 22.33 C ATOM 125 CG LEU A 8 13.888 0.541 3.872 1.00 34.55 C ATOM 126 CD1 LEU A 8 13.079 -0.396 4.756 1.00 34.13 C ATOM 127 CD2 LEU A 8 14.716 -0.251 2.871 1.00 20.11 C ATOM 0 H LEU A 8 11.590 3.355 2.236 1.00 31.01 H new ATOM 0 HA LEU A 8 13.768 3.362 3.924 1.00 34.31 H new ATOM 0 HB2 LEU A 8 12.032 1.593 3.705 1.00 22.33 H new ATOM 0 HB3 LEU A 8 12.725 1.111 2.169 1.00 22.33 H new ATOM 0 HG LEU A 8 14.568 1.110 4.506 1.00 34.55 H new ATOM 0 HD11 LEU A 8 13.751 -1.088 5.263 1.00 34.13 H new ATOM 0 HD12 LEU A 8 12.531 0.186 5.497 1.00 34.13 H new ATOM 0 HD13 LEU A 8 12.375 -0.958 4.142 1.00 34.13 H new ATOM 0 HD21 LEU A 8 15.365 -0.945 3.404 1.00 20.11 H new ATOM 0 HD22 LEU A 8 14.052 -0.809 2.211 1.00 20.11 H new ATOM 0 HD23 LEU A 8 15.324 0.433 2.280 1.00 20.11 H new ATOM 139 N TYR A 9 14.717 2.173 0.989 1.00 41.41 N ATOM 140 CA TYR A 9 15.860 2.047 0.092 1.00 55.23 C ATOM 141 C TYR A 9 15.490 1.244 -1.151 1.00 72.53 C ATOM 142 O TYR A 9 15.872 0.084 -1.309 1.00 31.34 O ATOM 143 CB TYR A 9 17.031 1.380 0.814 1.00 31.24 C ATOM 144 CG TYR A 9 18.385 1.806 0.294 1.00 22.40 C ATOM 145 CD1 TYR A 9 18.724 3.150 0.201 1.00 40.00 C ATOM 146 CD2 TYR A 9 19.325 0.864 -0.105 1.00 45.15 C ATOM 147 CE1 TYR A 9 19.960 3.544 -0.274 1.00 71.05 C ATOM 148 CE2 TYR A 9 20.564 1.249 -0.581 1.00 22.23 C ATOM 149 CZ TYR A 9 20.877 2.590 -0.664 1.00 34.34 C ATOM 150 OH TYR A 9 22.109 2.977 -1.138 1.00 31.12 O ATOM 0 H TYR A 9 13.884 1.670 0.684 1.00 41.41 H new ATOM 0 HA TYR A 9 16.158 3.048 -0.219 1.00 55.23 H new ATOM 0 HB2 TYR A 9 16.970 1.611 1.877 1.00 31.24 H new ATOM 0 HB3 TYR A 9 16.938 0.298 0.717 1.00 31.24 H new ATOM 0 HD1 TYR A 9 18.009 3.900 0.505 1.00 40.00 H new ATOM 0 HD2 TYR A 9 19.083 -0.187 -0.042 1.00 45.15 H new ATOM 0 HE1 TYR A 9 20.207 4.593 -0.340 1.00 71.05 H new ATOM 0 HE2 TYR A 9 21.284 0.504 -0.886 1.00 22.23 H new ATOM 0 HH TYR A 9 22.635 2.183 -1.368 1.00 31.12 H new ATOM 160 N PRO A 10 14.728 1.874 -2.057 1.00 41.33 N ATOM 161 CA PRO A 10 14.290 1.239 -3.304 1.00 21.44 C ATOM 162 C PRO A 10 15.442 1.021 -4.279 1.00 32.30 C ATOM 163 O PRO A 10 16.094 1.973 -4.707 1.00 54.31 O ATOM 164 CB PRO A 10 13.285 2.240 -3.878 1.00 72.32 C ATOM 165 CG PRO A 10 13.688 3.554 -3.304 1.00 23.22 C ATOM 166 CD PRO A 10 14.236 3.257 -1.935 1.00 61.23 C ATOM 0 HA PRO A 10 13.873 0.247 -3.132 1.00 21.44 H new ATOM 0 HB2 PRO A 10 13.321 2.256 -4.967 1.00 72.32 H new ATOM 0 HB3 PRO A 10 12.264 1.982 -3.596 1.00 72.32 H new ATOM 0 HG2 PRO A 10 14.439 4.039 -3.928 1.00 23.22 H new ATOM 0 HG3 PRO A 10 12.836 4.232 -3.245 1.00 23.22 H new ATOM 0 HD2 PRO A 10 15.036 3.946 -1.664 1.00 61.23 H new ATOM 0 HD3 PRO A 10 13.467 3.344 -1.167 1.00 61.23 H new ATOM 174 N ARG A 11 15.686 -0.238 -4.627 1.00 25.54 N ATOM 175 CA ARG A 11 16.760 -0.581 -5.551 1.00 43.24 C ATOM 176 C ARG A 11 16.819 -2.088 -5.782 1.00 62.02 C ATOM 177 O ARG A 11 17.140 -2.545 -6.879 1.00 33.03 O ATOM 178 CB ARG A 11 18.103 -0.084 -5.013 1.00 43.33 C ATOM 179 CG ARG A 11 18.289 -0.323 -3.524 1.00 22.50 C ATOM 180 CD ARG A 11 19.730 -0.681 -3.193 1.00 12.42 C ATOM 181 NE ARG A 11 19.823 -1.554 -2.026 1.00 13.11 N ATOM 182 CZ ARG A 11 20.965 -2.065 -1.580 1.00 33.14 C ATOM 183 NH1 ARG A 11 22.104 -1.791 -2.199 1.00 64.23 N ATOM 184 NH2 ARG A 11 20.968 -2.852 -0.511 1.00 2.40 N ATOM 0 H ARG A 11 15.154 -1.038 -4.283 1.00 25.54 H new ATOM 0 HA ARG A 11 16.555 -0.093 -6.504 1.00 43.24 H new ATOM 0 HB2 ARG A 11 18.908 -0.580 -5.555 1.00 43.33 H new ATOM 0 HB3 ARG A 11 18.193 0.983 -5.215 1.00 43.33 H new ATOM 0 HG2 ARG A 11 17.999 0.571 -2.972 1.00 22.50 H new ATOM 0 HG3 ARG A 11 17.629 -1.127 -3.198 1.00 22.50 H new ATOM 0 HD2 ARG A 11 20.187 -1.173 -4.051 1.00 12.42 H new ATOM 0 HD3 ARG A 11 20.297 0.232 -3.009 1.00 12.42 H new ATOM 0 HE ARG A 11 18.964 -1.784 -1.526 1.00 13.11 H new ATOM 0 HH11 ARG A 11 22.105 -1.186 -3.020 1.00 64.23 H new ATOM 0 HH12 ARG A 11 22.979 -2.185 -1.854 1.00 64.23 H new ATOM 0 HH21 ARG A 11 20.093 -3.065 -0.032 1.00 2.40 H new ATOM 0 HH22 ARG A 11 21.845 -3.244 -0.169 1.00 2.40 H new ATOM 198 N GLU A 12 16.508 -2.854 -4.741 1.00 0.41 N ATOM 199 CA GLU A 12 16.527 -4.309 -4.831 1.00 2.12 C ATOM 200 C GLU A 12 15.688 -4.792 -6.010 1.00 32.31 C ATOM 201 O GLU A 12 15.962 -5.842 -6.590 1.00 73.05 O ATOM 202 CB GLU A 12 16.007 -4.929 -3.532 1.00 64.23 C ATOM 203 CG GLU A 12 16.281 -6.419 -3.418 1.00 33.55 C ATOM 204 CD GLU A 12 17.761 -6.747 -3.466 1.00 15.43 C ATOM 205 OE1 GLU A 12 18.564 -5.930 -2.969 1.00 44.23 O ATOM 206 OE2 GLU A 12 18.115 -7.818 -4.000 1.00 32.34 O ATOM 0 H GLU A 12 16.240 -2.491 -3.826 1.00 0.41 H new ATOM 0 HA GLU A 12 17.558 -4.625 -4.988 1.00 2.12 H new ATOM 0 HB2 GLU A 12 16.466 -4.418 -2.686 1.00 64.23 H new ATOM 0 HB3 GLU A 12 14.933 -4.759 -3.463 1.00 64.23 H new ATOM 0 HG2 GLU A 12 15.861 -6.791 -2.484 1.00 33.55 H new ATOM 0 HG3 GLU A 12 15.771 -6.941 -4.227 1.00 33.55 H new ATOM 213 N GLU A 13 14.664 -4.018 -6.357 1.00 21.32 N ATOM 214 CA GLU A 13 13.784 -4.368 -7.465 1.00 71.34 C ATOM 215 C GLU A 13 14.199 -3.640 -8.741 1.00 21.34 C ATOM 216 O GLU A 13 14.118 -4.193 -9.837 1.00 44.44 O ATOM 217 CB GLU A 13 12.333 -4.028 -7.120 1.00 75.24 C ATOM 218 CG GLU A 13 11.930 -4.436 -5.713 1.00 52.11 C ATOM 219 CD GLU A 13 12.067 -5.927 -5.476 1.00 62.30 C ATOM 220 OE1 GLU A 13 12.090 -6.687 -6.467 1.00 12.40 O ATOM 221 OE2 GLU A 13 12.152 -6.335 -4.298 1.00 43.25 O ATOM 0 H GLU A 13 14.424 -3.145 -5.887 1.00 21.32 H new ATOM 0 HA GLU A 13 13.867 -5.441 -7.636 1.00 71.34 H new ATOM 0 HB2 GLU A 13 12.183 -2.954 -7.235 1.00 75.24 H new ATOM 0 HB3 GLU A 13 11.674 -4.520 -7.835 1.00 75.24 H new ATOM 0 HG2 GLU A 13 12.547 -3.899 -4.992 1.00 52.11 H new ATOM 0 HG3 GLU A 13 10.897 -4.137 -5.534 1.00 52.11 H new ATOM 228 N MET A 14 14.643 -2.397 -8.587 1.00 51.03 N ATOM 229 CA MET A 14 15.071 -1.593 -9.726 1.00 63.01 C ATOM 230 C MET A 14 16.070 -2.359 -10.587 1.00 63.23 C ATOM 231 O MET A 14 16.068 -2.241 -11.813 1.00 35.03 O ATOM 232 CB MET A 14 15.695 -0.281 -9.246 1.00 22.33 C ATOM 233 CG MET A 14 14.802 0.507 -8.301 1.00 73.44 C ATOM 234 SD MET A 14 13.199 0.900 -9.028 1.00 43.52 S ATOM 235 CE MET A 14 12.137 -0.237 -8.142 1.00 72.11 C ATOM 0 H MET A 14 14.716 -1.925 -7.686 1.00 51.03 H new ATOM 0 HA MET A 14 14.193 -1.369 -10.331 1.00 63.01 H new ATOM 0 HB2 MET A 14 16.638 -0.499 -8.745 1.00 22.33 H new ATOM 0 HB3 MET A 14 15.930 0.338 -10.112 1.00 22.33 H new ATOM 0 HG2 MET A 14 14.651 -0.067 -7.386 1.00 73.44 H new ATOM 0 HG3 MET A 14 15.305 1.432 -8.018 1.00 73.44 H new ATOM 0 HE1 MET A 14 11.789 -1.015 -8.822 1.00 72.11 H new ATOM 0 HE2 MET A 14 12.694 -0.693 -7.324 1.00 72.11 H new ATOM 0 HE3 MET A 14 11.280 0.304 -7.740 1.00 72.11 H new ATOM 245 N VAL A 15 16.924 -3.145 -9.939 1.00 2.34 N ATOM 246 CA VAL A 15 17.928 -3.931 -10.645 1.00 42.15 C ATOM 247 C VAL A 15 17.309 -5.171 -11.280 1.00 14.01 C ATOM 248 O VAL A 15 17.776 -5.652 -12.312 1.00 54.23 O ATOM 249 CB VAL A 15 19.067 -4.364 -9.703 1.00 62.25 C ATOM 250 CG1 VAL A 15 19.771 -3.148 -9.121 1.00 15.31 C ATOM 251 CG2 VAL A 15 18.531 -5.261 -8.598 1.00 4.14 C ATOM 0 H VAL A 15 16.940 -3.254 -8.925 1.00 2.34 H new ATOM 0 HA VAL A 15 18.337 -3.292 -11.427 1.00 42.15 H new ATOM 0 HB VAL A 15 19.796 -4.933 -10.280 1.00 62.25 H new ATOM 0 HG11 VAL A 15 20.572 -3.474 -8.458 1.00 15.31 H new ATOM 0 HG12 VAL A 15 20.190 -2.549 -9.929 1.00 15.31 H new ATOM 0 HG13 VAL A 15 19.056 -2.548 -8.558 1.00 15.31 H new ATOM 0 HG21 VAL A 15 19.349 -5.558 -7.941 1.00 4.14 H new ATOM 0 HG22 VAL A 15 17.781 -4.719 -8.021 1.00 4.14 H new ATOM 0 HG23 VAL A 15 18.078 -6.150 -9.038 1.00 4.14 H new ATOM 261 N SER A 16 16.254 -5.684 -10.655 1.00 74.22 N ATOM 262 CA SER A 16 15.571 -6.871 -11.157 1.00 31.12 C ATOM 263 C SER A 16 15.147 -6.680 -12.610 1.00 32.51 C ATOM 264 O SER A 16 15.333 -7.567 -13.445 1.00 3.32 O ATOM 265 CB SER A 16 14.347 -7.185 -10.293 1.00 45.35 C ATOM 266 OG SER A 16 14.329 -8.549 -9.912 1.00 30.34 O ATOM 0 H SER A 16 15.854 -5.297 -9.801 1.00 74.22 H new ATOM 0 HA SER A 16 16.267 -7.709 -11.107 1.00 31.12 H new ATOM 0 HB2 SER A 16 14.355 -6.556 -9.403 1.00 45.35 H new ATOM 0 HB3 SER A 16 13.438 -6.946 -10.844 1.00 45.35 H new ATOM 0 HG SER A 16 13.539 -8.724 -9.360 1.00 30.34 H new ATOM 272 N LEU A 17 14.575 -5.518 -12.905 1.00 21.21 N ATOM 273 CA LEU A 17 14.123 -5.209 -14.257 1.00 65.22 C ATOM 274 C LEU A 17 15.277 -5.303 -15.251 1.00 74.12 C ATOM 275 O LEU A 17 15.313 -6.200 -16.093 1.00 74.35 O ATOM 276 CB LEU A 17 13.508 -3.809 -14.303 1.00 63.42 C ATOM 277 CG LEU A 17 12.338 -3.559 -13.351 1.00 70.04 C ATOM 278 CD1 LEU A 17 11.599 -4.856 -13.061 1.00 23.21 C ATOM 279 CD2 LEU A 17 12.828 -2.921 -12.060 1.00 21.44 C ATOM 0 H LEU A 17 14.413 -4.774 -12.226 1.00 21.21 H new ATOM 0 HA LEU A 17 13.365 -5.941 -14.537 1.00 65.22 H new ATOM 0 HB2 LEU A 17 14.291 -3.083 -14.084 1.00 63.42 H new ATOM 0 HB3 LEU A 17 13.170 -3.616 -15.321 1.00 63.42 H new ATOM 0 HG LEU A 17 11.644 -2.870 -13.832 1.00 70.04 H new ATOM 0 HD11 LEU A 17 10.770 -4.658 -12.382 1.00 23.21 H new ATOM 0 HD12 LEU A 17 11.214 -5.272 -13.992 1.00 23.21 H new ATOM 0 HD13 LEU A 17 12.283 -5.569 -12.601 1.00 23.21 H new ATOM 0 HD21 LEU A 17 11.982 -2.750 -11.394 1.00 21.44 H new ATOM 0 HD22 LEU A 17 13.543 -3.585 -11.575 1.00 21.44 H new ATOM 0 HD23 LEU A 17 13.311 -1.970 -12.285 1.00 21.44 H new ATOM 291 N VAL A 18 16.219 -4.372 -15.146 1.00 3.21 N ATOM 292 CA VAL A 18 17.376 -4.351 -16.033 1.00 61.22 C ATOM 293 C VAL A 18 18.051 -5.717 -16.088 1.00 3.04 C ATOM 294 O VAL A 18 18.607 -6.106 -17.115 1.00 51.42 O ATOM 295 CB VAL A 18 18.408 -3.298 -15.586 1.00 75.23 C ATOM 296 CG1 VAL A 18 19.000 -3.671 -14.236 1.00 3.31 C ATOM 297 CG2 VAL A 18 19.500 -3.145 -16.634 1.00 22.44 C ATOM 0 H VAL A 18 16.204 -3.622 -14.455 1.00 3.21 H new ATOM 0 HA VAL A 18 17.009 -4.090 -17.026 1.00 61.22 H new ATOM 0 HB VAL A 18 17.901 -2.339 -15.480 1.00 75.23 H new ATOM 0 HG11 VAL A 18 19.727 -2.916 -13.936 1.00 3.31 H new ATOM 0 HG12 VAL A 18 18.205 -3.725 -13.492 1.00 3.31 H new ATOM 0 HG13 VAL A 18 19.493 -4.640 -14.310 1.00 3.31 H new ATOM 0 HG21 VAL A 18 20.220 -2.397 -16.302 1.00 22.44 H new ATOM 0 HG22 VAL A 18 20.006 -4.100 -16.774 1.00 22.44 H new ATOM 0 HG23 VAL A 18 19.057 -2.828 -17.578 1.00 22.44 H new ATOM 307 N ARG A 19 17.999 -6.442 -14.975 1.00 11.43 N ATOM 308 CA ARG A 19 18.606 -7.765 -14.895 1.00 42.42 C ATOM 309 C ARG A 19 17.810 -8.778 -15.712 1.00 20.32 C ATOM 310 O ARG A 19 18.382 -9.655 -16.359 1.00 72.41 O ATOM 311 CB ARG A 19 18.693 -8.223 -13.438 1.00 52.42 C ATOM 312 CG ARG A 19 19.922 -7.706 -12.709 1.00 65.04 C ATOM 313 CD ARG A 19 20.811 -8.847 -12.237 1.00 55.33 C ATOM 314 NE ARG A 19 20.212 -9.583 -11.127 1.00 1.20 N ATOM 315 CZ ARG A 19 20.706 -10.719 -10.648 1.00 34.13 C ATOM 316 NH1 ARG A 19 21.800 -11.247 -11.179 1.00 0.53 N ATOM 317 NH2 ARG A 19 20.104 -11.330 -9.635 1.00 23.11 N ATOM 0 H ARG A 19 17.542 -6.135 -14.116 1.00 11.43 H new ATOM 0 HA ARG A 19 19.613 -7.701 -15.308 1.00 42.42 H new ATOM 0 HB2 ARG A 19 17.800 -7.891 -12.908 1.00 52.42 H new ATOM 0 HB3 ARG A 19 18.695 -9.313 -13.408 1.00 52.42 H new ATOM 0 HG2 ARG A 19 20.489 -7.051 -13.370 1.00 65.04 H new ATOM 0 HG3 ARG A 19 19.613 -7.106 -11.853 1.00 65.04 H new ATOM 0 HD2 ARG A 19 20.996 -9.529 -13.067 1.00 55.33 H new ATOM 0 HD3 ARG A 19 21.778 -8.450 -11.929 1.00 55.33 H new ATOM 0 HE ARG A 19 19.369 -9.204 -10.696 1.00 1.20 H new ATOM 0 HH11 ARG A 19 22.265 -10.781 -11.958 1.00 0.53 H new ATOM 0 HH12 ARG A 19 22.177 -12.120 -10.809 1.00 0.53 H new ATOM 0 HH21 ARG A 19 19.262 -10.927 -9.224 1.00 23.11 H new ATOM 0 HH22 ARG A 19 20.484 -12.202 -9.267 1.00 23.11 H new ATOM 331 N SER A 20 16.487 -8.652 -15.676 1.00 4.52 N ATOM 332 CA SER A 20 15.612 -9.559 -16.409 1.00 3.13 C ATOM 333 C SER A 20 15.893 -9.493 -17.907 1.00 3.12 C ATOM 334 O SER A 20 15.728 -10.479 -18.626 1.00 32.44 O ATOM 335 CB SER A 20 14.146 -9.217 -16.138 1.00 11.11 C ATOM 336 OG SER A 20 13.695 -8.186 -17.000 1.00 31.52 O ATOM 0 H SER A 20 15.998 -7.930 -15.147 1.00 4.52 H new ATOM 0 HA SER A 20 15.811 -10.574 -16.064 1.00 3.13 H new ATOM 0 HB2 SER A 20 13.530 -10.106 -16.276 1.00 11.11 H new ATOM 0 HB3 SER A 20 14.028 -8.905 -15.100 1.00 11.11 H new ATOM 0 HG SER A 20 14.175 -7.356 -16.797 1.00 31.52 H new ATOM 342 N LEU A 21 16.319 -8.324 -18.371 1.00 42.53 N ATOM 343 CA LEU A 21 16.624 -8.127 -19.784 1.00 41.43 C ATOM 344 C LEU A 21 18.131 -8.111 -20.019 1.00 41.41 C ATOM 345 O LEU A 21 18.913 -7.930 -19.086 1.00 0.35 O ATOM 346 CB LEU A 21 16.005 -6.820 -20.282 1.00 51.45 C ATOM 347 CG LEU A 21 16.649 -5.532 -19.766 1.00 75.31 C ATOM 348 CD1 LEU A 21 17.280 -4.755 -20.910 1.00 42.05 C ATOM 349 CD2 LEU A 21 15.621 -4.676 -19.041 1.00 31.04 C ATOM 0 H LEU A 21 16.461 -7.498 -17.790 1.00 42.53 H new ATOM 0 HA LEU A 21 16.197 -8.960 -20.342 1.00 41.43 H new ATOM 0 HB2 LEU A 21 16.048 -6.813 -21.371 1.00 51.45 H new ATOM 0 HB3 LEU A 21 14.951 -6.812 -20.005 1.00 51.45 H new ATOM 0 HG LEU A 21 17.434 -5.799 -19.059 1.00 75.31 H new ATOM 0 HD11 LEU A 21 17.733 -3.842 -20.524 1.00 42.05 H new ATOM 0 HD12 LEU A 21 18.046 -5.367 -21.386 1.00 42.05 H new ATOM 0 HD13 LEU A 21 16.514 -4.498 -21.642 1.00 42.05 H new ATOM 0 HD21 LEU A 21 16.096 -3.764 -18.681 1.00 31.04 H new ATOM 0 HD22 LEU A 21 14.814 -4.418 -19.727 1.00 31.04 H new ATOM 0 HD23 LEU A 21 15.215 -5.232 -18.196 1.00 31.04 H new ATOM 361 N ASP A 22 18.531 -8.299 -21.272 1.00 23.03 N ATOM 362 CA ASP A 22 19.945 -8.303 -21.630 1.00 71.03 C ATOM 363 C ASP A 22 20.125 -8.540 -23.126 1.00 62.34 C ATOM 364 O ASP A 22 20.936 -9.369 -23.540 1.00 71.31 O ATOM 365 CB ASP A 22 20.691 -9.377 -20.837 1.00 61.14 C ATOM 366 CG ASP A 22 22.061 -8.914 -20.382 1.00 50.33 C ATOM 367 OD1 ASP A 22 22.177 -7.753 -19.936 1.00 42.21 O ATOM 368 OD2 ASP A 22 23.017 -9.712 -20.471 1.00 72.24 O ATOM 0 H ASP A 22 17.897 -8.451 -22.056 1.00 23.03 H new ATOM 0 HA ASP A 22 20.360 -7.326 -21.382 1.00 71.03 H new ATOM 0 HB2 ASP A 22 20.098 -9.659 -19.967 1.00 61.14 H new ATOM 0 HB3 ASP A 22 20.798 -10.270 -21.453 1.00 61.14 H new ATOM 373 N ARG A 23 19.364 -7.808 -23.933 1.00 34.04 N ATOM 374 CA ARG A 23 19.438 -7.941 -25.383 1.00 13.44 C ATOM 375 C ARG A 23 19.364 -6.574 -26.058 1.00 23.21 C ATOM 376 O ARG A 23 18.344 -6.192 -26.631 1.00 11.42 O ATOM 377 CB ARG A 23 18.306 -8.835 -25.893 1.00 4.02 C ATOM 378 CG ARG A 23 16.956 -8.524 -25.269 1.00 32.44 C ATOM 379 CD ARG A 23 16.419 -9.711 -24.483 1.00 3.43 C ATOM 380 NE ARG A 23 17.412 -10.246 -23.555 1.00 35.24 N ATOM 381 CZ ARG A 23 17.102 -10.974 -22.487 1.00 40.31 C ATOM 382 NH1 ARG A 23 15.834 -11.251 -22.215 1.00 25.13 N ATOM 383 NH2 ARG A 23 18.062 -11.426 -21.690 1.00 14.32 N ATOM 0 H ARG A 23 18.689 -7.116 -23.607 1.00 34.04 H new ATOM 0 HA ARG A 23 20.395 -8.400 -25.633 1.00 13.44 H new ATOM 0 HB2 ARG A 23 18.230 -8.728 -26.975 1.00 4.02 H new ATOM 0 HB3 ARG A 23 18.558 -9.876 -25.692 1.00 4.02 H new ATOM 0 HG2 ARG A 23 17.049 -7.661 -24.609 1.00 32.44 H new ATOM 0 HG3 ARG A 23 16.246 -8.253 -26.051 1.00 32.44 H new ATOM 0 HD2 ARG A 23 15.531 -9.407 -23.929 1.00 3.43 H new ATOM 0 HD3 ARG A 23 16.110 -10.494 -25.175 1.00 3.43 H new ATOM 0 HE ARG A 23 18.397 -10.050 -23.736 1.00 35.24 H new ATOM 0 HH11 ARG A 23 15.094 -10.905 -22.826 1.00 25.13 H new ATOM 0 HH12 ARG A 23 15.599 -11.810 -21.395 1.00 25.13 H new ATOM 0 HH21 ARG A 23 19.038 -11.215 -21.897 1.00 14.32 H new ATOM 0 HH22 ARG A 23 17.824 -11.985 -20.871 1.00 14.32 H new ATOM 397 N PRO A 24 20.471 -5.820 -25.990 1.00 2.25 N ATOM 398 CA PRO A 24 20.557 -4.485 -26.589 1.00 5.34 C ATOM 399 C PRO A 24 20.566 -4.533 -28.113 1.00 10.43 C ATOM 400 O PRO A 24 21.578 -4.870 -28.726 1.00 22.42 O ATOM 401 CB PRO A 24 21.890 -3.946 -26.063 1.00 42.51 C ATOM 402 CG PRO A 24 22.701 -5.160 -25.770 1.00 21.43 C ATOM 403 CD PRO A 24 21.724 -6.212 -25.323 1.00 20.34 C ATOM 0 HA PRO A 24 19.699 -3.865 -26.329 1.00 5.34 H new ATOM 0 HB2 PRO A 24 22.380 -3.312 -26.802 1.00 42.51 H new ATOM 0 HB3 PRO A 24 21.747 -3.340 -25.168 1.00 42.51 H new ATOM 0 HG2 PRO A 24 23.249 -5.486 -26.654 1.00 21.43 H new ATOM 0 HG3 PRO A 24 23.439 -4.958 -24.994 1.00 21.43 H new ATOM 0 HD2 PRO A 24 22.043 -7.210 -25.623 1.00 20.34 H new ATOM 0 HD3 PRO A 24 21.615 -6.224 -24.239 1.00 20.34 H new ATOM 411 N GLN A 25 19.432 -4.192 -28.717 1.00 63.22 N ATOM 412 CA GLN A 25 19.311 -4.197 -30.170 1.00 73.12 C ATOM 413 C GLN A 25 20.202 -3.129 -30.795 1.00 24.12 C ATOM 414 O GLN A 25 20.971 -3.410 -31.714 1.00 3.54 O ATOM 415 CB GLN A 25 17.855 -3.968 -30.582 1.00 44.10 C ATOM 416 CG GLN A 25 16.999 -5.222 -30.514 1.00 21.13 C ATOM 417 CD GLN A 25 15.936 -5.145 -29.436 1.00 53.30 C ATOM 418 OE1 GLN A 25 14.743 -5.063 -29.730 1.00 13.13 O ATOM 419 NE2 GLN A 25 16.363 -5.170 -28.179 1.00 63.41 N ATOM 0 H GLN A 25 18.585 -3.909 -28.223 1.00 63.22 H new ATOM 0 HA GLN A 25 19.636 -5.172 -30.533 1.00 73.12 H new ATOM 0 HB2 GLN A 25 17.419 -3.205 -29.937 1.00 44.10 H new ATOM 0 HB3 GLN A 25 17.831 -3.577 -31.599 1.00 44.10 H new ATOM 0 HG2 GLN A 25 16.520 -5.383 -31.480 1.00 21.13 H new ATOM 0 HG3 GLN A 25 17.639 -6.084 -30.327 1.00 21.13 H new ATOM 0 HE21 GLN A 25 17.361 -5.239 -27.981 1.00 63.41 H new ATOM 0 HE22 GLN A 25 15.693 -5.120 -27.412 1.00 63.41 H new ATOM 428 N GLU A 26 20.093 -1.904 -30.290 1.00 22.34 N ATOM 429 CA GLU A 26 20.890 -0.794 -30.800 1.00 34.51 C ATOM 430 C GLU A 26 22.322 -0.867 -30.278 1.00 34.12 C ATOM 431 O GLU A 26 23.279 -0.759 -31.043 1.00 74.42 O ATOM 432 CB GLU A 26 20.257 0.541 -30.402 1.00 44.14 C ATOM 433 CG GLU A 26 19.609 1.277 -31.563 1.00 21.10 C ATOM 434 CD GLU A 26 20.455 2.429 -32.069 1.00 3.11 C ATOM 435 OE1 GLU A 26 21.691 2.268 -32.149 1.00 10.13 O ATOM 436 OE2 GLU A 26 19.881 3.492 -32.385 1.00 71.03 O ATOM 0 H GLU A 26 19.461 -1.655 -29.529 1.00 22.34 H new ATOM 0 HA GLU A 26 20.915 -0.867 -31.887 1.00 34.51 H new ATOM 0 HB2 GLU A 26 19.507 0.363 -29.632 1.00 44.14 H new ATOM 0 HB3 GLU A 26 21.022 1.179 -29.960 1.00 44.14 H new ATOM 0 HG2 GLU A 26 19.431 0.576 -32.379 1.00 21.10 H new ATOM 0 HG3 GLU A 26 18.636 1.656 -31.250 1.00 21.10 H new ATOM 443 N ASN A 27 22.459 -1.050 -28.969 1.00 23.24 N ATOM 444 CA ASN A 27 23.774 -1.136 -28.343 1.00 31.11 C ATOM 445 C ASN A 27 24.639 0.061 -28.727 1.00 74.32 C ATOM 446 O ASN A 27 25.702 -0.095 -29.326 1.00 71.10 O ATOM 447 CB ASN A 27 24.472 -2.435 -28.750 1.00 73.44 C ATOM 448 CG ASN A 27 25.716 -2.706 -27.927 1.00 62.03 C ATOM 449 OD1 ASN A 27 25.525 -3.217 -26.717 1.00 40.30 O flip ATOM 450 ND2 ASN A 27 26.836 -2.459 -28.375 1.00 21.04 N flip ATOM 0 H ASN A 27 21.676 -1.142 -28.321 1.00 23.24 H new ATOM 0 HA ASN A 27 23.635 -1.129 -27.262 1.00 31.11 H new ATOM 0 HB2 ASN A 27 23.777 -3.268 -28.638 1.00 73.44 H new ATOM 0 HB3 ASN A 27 24.742 -2.384 -29.805 1.00 73.44 H new ATOM 0 HD21 ASN A 27 26.936 -2.066 -29.311 1.00 21.04 H new ATOM 0 HD22 ASN A 27 27.664 -2.647 -27.810 1.00 21.04 H new ATOM 457 N GLY A 28 24.174 1.256 -28.377 1.00 51.44 N ATOM 458 CA GLY A 28 24.917 2.462 -28.693 1.00 52.42 C ATOM 459 C GLY A 28 24.424 3.667 -27.917 1.00 14.23 C ATOM 460 O GLY A 28 25.215 4.519 -27.509 1.00 34.32 O ATOM 0 H GLY A 28 23.297 1.411 -27.881 1.00 51.44 H new ATOM 0 HA2 GLY A 28 25.973 2.302 -28.476 1.00 52.42 H new ATOM 0 HA3 GLY A 28 24.838 2.664 -29.761 1.00 52.42 H new ATOM 464 N LEU A 29 23.113 3.741 -27.713 1.00 0.43 N ATOM 465 CA LEU A 29 22.514 4.852 -26.981 1.00 43.41 C ATOM 466 C LEU A 29 21.037 4.591 -26.708 1.00 14.21 C ATOM 467 O LEU A 29 20.518 4.944 -25.648 1.00 44.23 O ATOM 468 CB LEU A 29 22.677 6.154 -27.768 1.00 71.13 C ATOM 469 CG LEU A 29 22.151 7.419 -27.089 1.00 42.14 C ATOM 470 CD1 LEU A 29 23.202 8.518 -27.123 1.00 15.44 C ATOM 471 CD2 LEU A 29 20.866 7.887 -27.756 1.00 34.04 C ATOM 0 H LEU A 29 22.445 3.045 -28.044 1.00 0.43 H new ATOM 0 HA LEU A 29 23.030 4.945 -26.025 1.00 43.41 H new ATOM 0 HB2 LEU A 29 23.736 6.295 -27.983 1.00 71.13 H new ATOM 0 HB3 LEU A 29 22.169 6.042 -28.726 1.00 71.13 H new ATOM 0 HG LEU A 29 21.932 7.185 -26.047 1.00 42.14 H new ATOM 0 HD11 LEU A 29 22.811 9.411 -26.635 1.00 15.44 H new ATOM 0 HD12 LEU A 29 24.097 8.182 -26.600 1.00 15.44 H new ATOM 0 HD13 LEU A 29 23.452 8.750 -28.158 1.00 15.44 H new ATOM 0 HD21 LEU A 29 20.506 8.788 -27.260 1.00 34.04 H new ATOM 0 HD22 LEU A 29 21.059 8.104 -28.807 1.00 34.04 H new ATOM 0 HD23 LEU A 29 20.111 7.105 -27.680 1.00 34.04 H new ATOM 483 N PHE A 30 20.363 3.969 -27.670 1.00 24.31 N ATOM 484 CA PHE A 30 18.945 3.659 -27.533 1.00 21.42 C ATOM 485 C PHE A 30 18.713 2.661 -26.402 1.00 24.21 C ATOM 486 O PHE A 30 17.585 2.471 -25.948 1.00 52.15 O ATOM 487 CB PHE A 30 18.395 3.096 -28.845 1.00 62.11 C ATOM 488 CG PHE A 30 17.669 4.115 -29.677 1.00 22.44 C ATOM 489 CD1 PHE A 30 18.358 5.156 -30.278 1.00 21.24 C ATOM 490 CD2 PHE A 30 16.298 4.031 -29.858 1.00 22.34 C ATOM 491 CE1 PHE A 30 17.692 6.095 -31.042 1.00 63.25 C ATOM 492 CE2 PHE A 30 15.627 4.967 -30.622 1.00 31.42 C ATOM 493 CZ PHE A 30 16.325 5.999 -31.216 1.00 3.52 C ATOM 0 H PHE A 30 20.776 3.670 -28.553 1.00 24.31 H new ATOM 0 HA PHE A 30 18.419 4.583 -27.293 1.00 21.42 H new ATOM 0 HB2 PHE A 30 19.219 2.683 -29.428 1.00 62.11 H new ATOM 0 HB3 PHE A 30 17.718 2.272 -28.622 1.00 62.11 H new ATOM 0 HD1 PHE A 30 19.427 5.234 -30.148 1.00 21.24 H new ATOM 0 HD2 PHE A 30 15.747 3.225 -29.397 1.00 22.34 H new ATOM 0 HE1 PHE A 30 18.240 6.904 -31.503 1.00 63.25 H new ATOM 0 HE2 PHE A 30 14.558 4.891 -30.754 1.00 31.42 H new ATOM 0 HZ PHE A 30 15.803 6.730 -31.816 1.00 3.52 H new ATOM 503 N SER A 31 19.790 2.025 -25.952 1.00 4.24 N ATOM 504 CA SER A 31 19.705 1.043 -24.877 1.00 1.31 C ATOM 505 C SER A 31 21.006 0.994 -24.081 1.00 40.14 C ATOM 506 O SER A 31 21.373 -0.046 -23.536 1.00 71.53 O ATOM 507 CB SER A 31 19.390 -0.341 -25.446 1.00 75.22 C ATOM 508 OG SER A 31 18.148 -0.341 -26.130 1.00 1.33 O ATOM 0 H SER A 31 20.732 2.172 -26.315 1.00 4.24 H new ATOM 0 HA SER A 31 18.900 1.344 -24.206 1.00 1.31 H new ATOM 0 HB2 SER A 31 20.184 -0.647 -26.127 1.00 75.22 H new ATOM 0 HB3 SER A 31 19.364 -1.072 -24.638 1.00 75.22 H new ATOM 0 HG SER A 31 17.970 -1.237 -26.486 1.00 1.33 H new ATOM 514 N GLN A 32 21.698 2.127 -24.020 1.00 42.15 N ATOM 515 CA GLN A 32 22.959 2.213 -23.293 1.00 13.54 C ATOM 516 C GLN A 32 23.325 3.666 -23.009 1.00 11.53 C ATOM 517 O GLN A 32 22.597 4.585 -23.385 1.00 12.33 O ATOM 518 CB GLN A 32 24.078 1.539 -24.087 1.00 61.14 C ATOM 519 CG GLN A 32 24.655 0.310 -23.403 1.00 52.11 C ATOM 520 CD GLN A 32 24.645 -0.914 -24.297 1.00 61.30 C ATOM 521 OE1 GLN A 32 23.477 -1.245 -24.835 1.00 31.04 O flip ATOM 522 NE2 GLN A 32 25.676 -1.556 -24.502 1.00 62.24 N flip ATOM 0 H GLN A 32 21.407 2.998 -24.465 1.00 42.15 H new ATOM 0 HA GLN A 32 22.836 1.695 -22.342 1.00 13.54 H new ATOM 0 HB2 GLN A 32 23.695 1.253 -25.067 1.00 61.14 H new ATOM 0 HB3 GLN A 32 24.878 2.260 -24.255 1.00 61.14 H new ATOM 0 HG2 GLN A 32 25.678 0.519 -23.091 1.00 52.11 H new ATOM 0 HG3 GLN A 32 24.083 0.100 -22.499 1.00 52.11 H new ATOM 0 HE21 GLN A 32 26.552 -1.266 -24.068 1.00 62.24 H new ATOM 0 HE22 GLN A 32 25.654 -2.378 -25.106 1.00 62.24 H new ATOM 531 N ASP A 33 24.457 3.867 -22.343 1.00 71.31 N ATOM 532 CA ASP A 33 24.920 5.209 -22.009 1.00 64.51 C ATOM 533 C ASP A 33 26.097 5.612 -22.892 1.00 51.52 C ATOM 534 O ASP A 33 27.145 4.966 -22.882 1.00 53.25 O ATOM 535 CB ASP A 33 25.325 5.280 -20.536 1.00 34.43 C ATOM 536 CG ASP A 33 24.127 5.293 -19.607 1.00 33.43 C ATOM 537 OD1 ASP A 33 22.985 5.319 -20.112 1.00 1.43 O ATOM 538 OD2 ASP A 33 24.331 5.277 -18.375 1.00 33.05 O ATOM 0 H ASP A 33 25.071 3.118 -22.024 1.00 71.31 H new ATOM 0 HA ASP A 33 24.100 5.905 -22.186 1.00 64.51 H new ATOM 0 HB2 ASP A 33 25.959 4.427 -20.295 1.00 34.43 H new ATOM 0 HB3 ASP A 33 25.921 6.177 -20.369 1.00 34.43 H new ATOM 543 N VAL A 34 25.916 6.685 -23.656 1.00 40.21 N ATOM 544 CA VAL A 34 26.962 7.176 -24.545 1.00 61.34 C ATOM 545 C VAL A 34 28.259 7.425 -23.784 1.00 20.54 C ATOM 546 O VAL A 34 29.352 7.267 -24.329 1.00 3.41 O ATOM 547 CB VAL A 34 26.535 8.477 -25.250 1.00 4.44 C ATOM 548 CG1 VAL A 34 26.136 9.531 -24.228 1.00 0.20 C ATOM 549 CG2 VAL A 34 27.653 8.989 -26.146 1.00 60.31 C ATOM 0 H VAL A 34 25.055 7.231 -23.677 1.00 40.21 H new ATOM 0 HA VAL A 34 27.128 6.403 -25.295 1.00 61.34 H new ATOM 0 HB VAL A 34 25.668 8.264 -25.875 1.00 4.44 H new ATOM 0 HG11 VAL A 34 25.837 10.443 -24.744 1.00 0.20 H new ATOM 0 HG12 VAL A 34 25.302 9.162 -23.631 1.00 0.20 H new ATOM 0 HG13 VAL A 34 26.983 9.744 -23.575 1.00 0.20 H new ATOM 0 HG21 VAL A 34 27.334 9.909 -26.636 1.00 60.31 H new ATOM 0 HG22 VAL A 34 28.540 9.187 -25.544 1.00 60.31 H new ATOM 0 HG23 VAL A 34 27.887 8.238 -26.901 1.00 60.31 H new ATOM 559 N LEU A 35 28.131 7.813 -22.520 1.00 11.12 N ATOM 560 CA LEU A 35 29.293 8.084 -21.681 1.00 23.41 C ATOM 561 C LEU A 35 30.156 6.835 -21.526 1.00 73.03 C ATOM 562 O LEU A 35 31.337 6.921 -21.188 1.00 12.14 O ATOM 563 CB LEU A 35 28.849 8.584 -20.305 1.00 71.23 C ATOM 564 CG LEU A 35 29.710 9.682 -19.680 1.00 53.12 C ATOM 565 CD1 LEU A 35 31.103 9.157 -19.370 1.00 33.13 C ATOM 566 CD2 LEU A 35 29.786 10.890 -20.603 1.00 64.31 C ATOM 0 H LEU A 35 27.234 7.947 -22.053 1.00 11.12 H new ATOM 0 HA LEU A 35 29.888 8.857 -22.167 1.00 23.41 H new ATOM 0 HB2 LEU A 35 27.827 8.954 -20.387 1.00 71.23 H new ATOM 0 HB3 LEU A 35 28.826 7.735 -19.622 1.00 71.23 H new ATOM 0 HG LEU A 35 29.245 9.993 -18.744 1.00 53.12 H new ATOM 0 HD11 LEU A 35 31.701 9.953 -18.926 1.00 33.13 H new ATOM 0 HD12 LEU A 35 31.031 8.324 -18.671 1.00 33.13 H new ATOM 0 HD13 LEU A 35 31.577 8.818 -20.291 1.00 33.13 H new ATOM 0 HD21 LEU A 35 30.403 11.662 -20.142 1.00 64.31 H new ATOM 0 HD22 LEU A 35 30.227 10.593 -21.555 1.00 64.31 H new ATOM 0 HD23 LEU A 35 28.783 11.281 -20.774 1.00 64.31 H new ATOM 578 N LEU A 36 29.559 5.675 -21.779 1.00 11.34 N ATOM 579 CA LEU A 36 30.273 4.408 -21.670 1.00 31.20 C ATOM 580 C LEU A 36 30.754 3.935 -23.038 1.00 75.51 C ATOM 581 O LEU A 36 30.903 2.736 -23.273 1.00 34.21 O ATOM 582 CB LEU A 36 29.372 3.345 -21.038 1.00 4.25 C ATOM 583 CG LEU A 36 29.157 3.460 -19.528 1.00 52.21 C ATOM 584 CD1 LEU A 36 28.282 4.661 -19.204 1.00 0.22 C ATOM 585 CD2 LEU A 36 28.537 2.183 -18.979 1.00 44.20 C ATOM 0 H LEU A 36 28.583 5.586 -22.061 1.00 11.34 H new ATOM 0 HA LEU A 36 31.144 4.563 -21.033 1.00 31.20 H new ATOM 0 HB2 LEU A 36 28.399 3.384 -21.528 1.00 4.25 H new ATOM 0 HB3 LEU A 36 29.797 2.364 -21.251 1.00 4.25 H new ATOM 0 HG LEU A 36 30.127 3.603 -19.052 1.00 52.21 H new ATOM 0 HD11 LEU A 36 28.140 4.727 -18.125 1.00 0.22 H new ATOM 0 HD12 LEU A 36 28.765 5.570 -19.563 1.00 0.22 H new ATOM 0 HD13 LEU A 36 27.314 4.548 -19.691 1.00 0.22 H new ATOM 0 HD21 LEU A 36 28.391 2.283 -17.903 1.00 44.20 H new ATOM 0 HD22 LEU A 36 27.575 2.009 -19.461 1.00 44.20 H new ATOM 0 HD23 LEU A 36 29.200 1.341 -19.179 1.00 44.20 H new ATOM 597 N GLN A 37 30.996 4.884 -23.936 1.00 0.45 N ATOM 598 CA GLN A 37 31.462 4.564 -25.280 1.00 35.14 C ATOM 599 C GLN A 37 32.950 4.863 -25.426 1.00 31.20 C ATOM 600 O GLN A 37 33.774 3.950 -25.479 1.00 24.10 O ATOM 601 CB GLN A 37 30.666 5.354 -26.320 1.00 12.22 C ATOM 602 CG GLN A 37 29.167 5.110 -26.253 1.00 52.31 C ATOM 603 CD GLN A 37 28.778 3.727 -26.738 1.00 44.51 C ATOM 604 OE1 GLN A 37 29.488 3.115 -27.537 1.00 10.04 O ATOM 605 NE2 GLN A 37 27.646 3.227 -26.257 1.00 4.33 N ATOM 0 H GLN A 37 30.877 5.881 -23.757 1.00 0.45 H new ATOM 0 HA GLN A 37 31.307 3.498 -25.447 1.00 35.14 H new ATOM 0 HB2 GLN A 37 30.859 6.418 -26.182 1.00 12.22 H new ATOM 0 HB3 GLN A 37 31.024 5.092 -27.315 1.00 12.22 H new ATOM 0 HG2 GLN A 37 28.827 5.239 -25.225 1.00 52.31 H new ATOM 0 HG3 GLN A 37 28.654 5.860 -26.855 1.00 52.31 H new ATOM 0 HE21 GLN A 37 27.089 3.769 -25.597 1.00 4.33 H new ATOM 0 HE22 GLN A 37 27.333 2.301 -26.548 1.00 4.33 H new ATOM 614 N TYR A 38 33.287 6.146 -25.491 1.00 53.12 N ATOM 615 CA TYR A 38 34.676 6.565 -25.634 1.00 52.44 C ATOM 616 C TYR A 38 34.848 8.026 -25.230 1.00 4.24 C ATOM 617 O TYR A 38 33.903 8.815 -25.238 1.00 5.41 O ATOM 618 CB TYR A 38 35.145 6.365 -27.077 1.00 12.35 C ATOM 619 CG TYR A 38 35.700 4.985 -27.347 1.00 5.34 C ATOM 620 CD1 TYR A 38 36.682 4.438 -26.529 1.00 41.33 C ATOM 621 CD2 TYR A 38 35.245 4.229 -28.419 1.00 71.12 C ATOM 622 CE1 TYR A 38 37.193 3.178 -26.772 1.00 44.15 C ATOM 623 CE2 TYR A 38 35.749 2.967 -28.669 1.00 43.41 C ATOM 624 CZ TYR A 38 36.724 2.447 -27.843 1.00 75.52 C ATOM 625 OH TYR A 38 37.230 1.191 -28.090 1.00 34.24 O ATOM 0 H TYR A 38 32.617 6.914 -25.447 1.00 53.12 H new ATOM 0 HA TYR A 38 35.285 5.949 -24.972 1.00 52.44 H new ATOM 0 HB2 TYR A 38 34.308 6.549 -27.751 1.00 12.35 H new ATOM 0 HB3 TYR A 38 35.910 7.107 -27.308 1.00 12.35 H new ATOM 0 HD1 TYR A 38 37.052 5.008 -25.689 1.00 41.33 H new ATOM 0 HD2 TYR A 38 34.484 4.635 -29.069 1.00 71.12 H new ATOM 0 HE1 TYR A 38 37.956 2.768 -26.127 1.00 44.15 H new ATOM 0 HE2 TYR A 38 35.382 2.391 -29.506 1.00 43.41 H new ATOM 0 HH TYR A 38 36.792 0.811 -28.880 1.00 34.24 H new ATOM 635 N PRO A 39 36.086 8.396 -24.867 1.00 14.21 N ATOM 636 CA PRO A 39 36.413 9.764 -24.453 1.00 65.30 C ATOM 637 C PRO A 39 36.353 10.751 -25.614 1.00 33.14 C ATOM 638 O PRO A 39 37.384 11.211 -26.103 1.00 14.33 O ATOM 639 CB PRO A 39 37.847 9.642 -23.929 1.00 74.22 C ATOM 640 CG PRO A 39 38.409 8.458 -24.637 1.00 21.31 C ATOM 641 CD PRO A 39 37.260 7.508 -24.833 1.00 52.24 C ATOM 0 HA PRO A 39 35.706 10.147 -23.717 1.00 65.30 H new ATOM 0 HB2 PRO A 39 38.424 10.542 -24.142 1.00 74.22 H new ATOM 0 HB3 PRO A 39 37.863 9.502 -22.848 1.00 74.22 H new ATOM 0 HG2 PRO A 39 38.845 8.746 -25.594 1.00 21.31 H new ATOM 0 HG3 PRO A 39 39.203 7.994 -24.052 1.00 21.31 H new ATOM 0 HD2 PRO A 39 37.361 6.940 -25.758 1.00 52.24 H new ATOM 0 HD3 PRO A 39 37.193 6.785 -24.020 1.00 52.24 H new ATOM 649 N GLU A 40 35.138 11.072 -26.049 1.00 22.32 N ATOM 650 CA GLU A 40 34.945 12.005 -27.153 1.00 33.43 C ATOM 651 C GLU A 40 33.479 12.413 -27.269 1.00 40.12 C ATOM 652 O GLU A 40 33.166 13.570 -27.555 1.00 32.41 O ATOM 653 CB GLU A 40 35.417 11.379 -28.467 1.00 3.42 C ATOM 654 CG GLU A 40 34.780 10.033 -28.764 1.00 74.31 C ATOM 655 CD GLU A 40 35.732 9.076 -29.456 1.00 14.41 C ATOM 656 OE1 GLU A 40 36.798 9.533 -29.918 1.00 41.05 O ATOM 657 OE2 GLU A 40 35.411 7.872 -29.535 1.00 14.30 O ATOM 0 H GLU A 40 34.274 10.700 -25.654 1.00 22.32 H new ATOM 0 HA GLU A 40 35.538 12.897 -26.950 1.00 33.43 H new ATOM 0 HB2 GLU A 40 35.197 12.064 -29.286 1.00 3.42 H new ATOM 0 HB3 GLU A 40 36.500 11.259 -28.434 1.00 3.42 H new ATOM 0 HG2 GLU A 40 34.435 9.585 -27.832 1.00 74.31 H new ATOM 0 HG3 GLU A 40 33.901 10.182 -29.391 1.00 74.31 H new ATOM 664 N LEU A 41 32.585 11.456 -27.047 1.00 10.12 N ATOM 665 CA LEU A 41 31.151 11.715 -27.127 1.00 65.40 C ATOM 666 C LEU A 41 30.567 11.976 -25.743 1.00 31.34 C ATOM 667 O LEU A 41 29.350 12.043 -25.575 1.00 33.35 O ATOM 668 CB LEU A 41 30.436 10.531 -27.781 1.00 14.25 C ATOM 669 CG LEU A 41 30.799 9.147 -27.243 1.00 30.24 C ATOM 670 CD1 LEU A 41 32.051 8.620 -27.927 1.00 33.21 C ATOM 671 CD2 LEU A 41 30.994 9.195 -25.734 1.00 52.01 C ATOM 0 H LEU A 41 32.827 10.494 -26.810 1.00 10.12 H new ATOM 0 HA LEU A 41 31.000 12.605 -27.738 1.00 65.40 H new ATOM 0 HB2 LEU A 41 29.361 10.673 -27.666 1.00 14.25 H new ATOM 0 HB3 LEU A 41 30.648 10.550 -28.850 1.00 14.25 H new ATOM 0 HG LEU A 41 29.976 8.466 -27.462 1.00 30.24 H new ATOM 0 HD11 LEU A 41 32.294 7.634 -27.531 1.00 33.21 H new ATOM 0 HD12 LEU A 41 31.876 8.547 -29.000 1.00 33.21 H new ATOM 0 HD13 LEU A 41 32.882 9.301 -27.740 1.00 33.21 H new ATOM 0 HD21 LEU A 41 31.252 8.201 -25.369 1.00 52.01 H new ATOM 0 HD22 LEU A 41 31.798 9.890 -25.493 1.00 52.01 H new ATOM 0 HD23 LEU A 41 30.072 9.528 -25.258 1.00 52.01 H new ATOM 683 N ALA A 42 31.443 12.124 -24.754 1.00 41.44 N ATOM 684 CA ALA A 42 31.014 12.383 -23.386 1.00 21.45 C ATOM 685 C ALA A 42 30.133 13.625 -23.312 1.00 35.35 C ATOM 686 O ALA A 42 29.318 13.765 -22.400 1.00 21.21 O ATOM 687 CB ALA A 42 32.222 12.536 -22.474 1.00 25.43 C ATOM 0 H ALA A 42 32.454 12.069 -24.876 1.00 41.44 H new ATOM 0 HA ALA A 42 30.424 11.531 -23.050 1.00 21.45 H new ATOM 0 HB1 ALA A 42 31.886 12.729 -21.455 1.00 25.43 H new ATOM 0 HB2 ALA A 42 32.812 11.619 -22.494 1.00 25.43 H new ATOM 0 HB3 ALA A 42 32.835 13.369 -22.818 1.00 25.43 H new ATOM 693 N GLU A 43 30.302 14.523 -24.276 1.00 51.44 N ATOM 694 CA GLU A 43 29.522 15.755 -24.318 1.00 74.52 C ATOM 695 C GLU A 43 28.052 15.458 -24.600 1.00 74.33 C ATOM 696 O GLU A 43 27.163 15.950 -23.905 1.00 3.22 O ATOM 697 CB GLU A 43 30.076 16.700 -25.386 1.00 3.13 C ATOM 698 CG GLU A 43 31.367 17.389 -24.977 1.00 3.21 C ATOM 699 CD GLU A 43 32.360 17.493 -26.118 1.00 61.24 C ATOM 700 OE1 GLU A 43 32.037 18.151 -27.129 1.00 13.32 O ATOM 701 OE2 GLU A 43 33.461 16.915 -26.001 1.00 1.05 O ATOM 0 H GLU A 43 30.972 14.421 -25.039 1.00 51.44 H new ATOM 0 HA GLU A 43 29.598 16.236 -23.343 1.00 74.52 H new ATOM 0 HB2 GLU A 43 30.249 16.137 -26.303 1.00 3.13 H new ATOM 0 HB3 GLU A 43 29.326 17.457 -25.614 1.00 3.13 H new ATOM 0 HG2 GLU A 43 31.139 18.388 -24.606 1.00 3.21 H new ATOM 0 HG3 GLU A 43 31.822 16.840 -24.153 1.00 3.21 H new ATOM 708 N SER A 44 27.803 14.650 -25.626 1.00 24.40 N ATOM 709 CA SER A 44 26.442 14.290 -26.004 1.00 14.12 C ATOM 710 C SER A 44 25.684 13.707 -24.815 1.00 30.02 C ATOM 711 O SER A 44 24.462 13.826 -24.724 1.00 51.30 O ATOM 712 CB SER A 44 26.458 13.283 -27.156 1.00 3.43 C ATOM 713 OG SER A 44 26.830 11.994 -26.701 1.00 30.12 O ATOM 0 H SER A 44 28.527 14.232 -26.210 1.00 24.40 H new ATOM 0 HA SER A 44 25.931 15.196 -26.330 1.00 14.12 H new ATOM 0 HB2 SER A 44 25.472 13.238 -27.618 1.00 3.43 H new ATOM 0 HB3 SER A 44 27.155 13.616 -27.925 1.00 3.43 H new ATOM 0 HG SER A 44 27.706 12.042 -26.264 1.00 30.12 H new ATOM 719 N TYR A 45 26.418 13.076 -23.905 1.00 45.05 N ATOM 720 CA TYR A 45 25.817 12.472 -22.723 1.00 21.43 C ATOM 721 C TYR A 45 25.082 13.518 -21.890 1.00 71.43 C ATOM 722 O TYR A 45 24.092 13.215 -21.223 1.00 22.12 O ATOM 723 CB TYR A 45 26.889 11.788 -21.872 1.00 43.52 C ATOM 724 CG TYR A 45 26.335 11.065 -20.666 1.00 21.22 C ATOM 725 CD1 TYR A 45 25.351 10.094 -20.805 1.00 21.13 C ATOM 726 CD2 TYR A 45 26.797 11.351 -19.387 1.00 14.52 C ATOM 727 CE1 TYR A 45 24.842 9.431 -19.705 1.00 75.01 C ATOM 728 CE2 TYR A 45 26.294 10.692 -18.282 1.00 11.44 C ATOM 729 CZ TYR A 45 25.316 9.733 -18.446 1.00 2.52 C ATOM 730 OH TYR A 45 24.812 9.074 -17.348 1.00 41.31 O ATOM 0 H TYR A 45 27.431 12.970 -23.964 1.00 45.05 H new ATOM 0 HA TYR A 45 25.095 11.726 -23.055 1.00 21.43 H new ATOM 0 HB2 TYR A 45 27.434 11.077 -22.493 1.00 43.52 H new ATOM 0 HB3 TYR A 45 27.608 12.536 -21.538 1.00 43.52 H new ATOM 0 HD1 TYR A 45 24.978 9.853 -21.789 1.00 21.13 H new ATOM 0 HD2 TYR A 45 27.562 12.101 -19.255 1.00 14.52 H new ATOM 0 HE1 TYR A 45 24.076 8.680 -19.831 1.00 75.01 H new ATOM 0 HE2 TYR A 45 26.664 10.926 -17.295 1.00 11.44 H new ATOM 0 HH TYR A 45 25.253 9.404 -16.538 1.00 41.31 H new ATOM 740 N THR A 46 25.573 14.752 -21.935 1.00 51.33 N ATOM 741 CA THR A 46 24.965 15.844 -21.186 1.00 52.52 C ATOM 742 C THR A 46 23.543 16.116 -21.666 1.00 25.31 C ATOM 743 O THR A 46 22.622 16.256 -20.862 1.00 13.22 O ATOM 744 CB THR A 46 25.791 17.138 -21.309 1.00 5.44 C ATOM 745 OG1 THR A 46 25.680 17.667 -22.635 1.00 1.34 O ATOM 746 CG2 THR A 46 27.254 16.879 -20.982 1.00 24.11 C ATOM 0 H THR A 46 26.391 15.020 -22.483 1.00 51.33 H new ATOM 0 HA THR A 46 24.940 15.535 -20.141 1.00 52.52 H new ATOM 0 HB THR A 46 25.398 17.862 -20.596 1.00 5.44 H new ATOM 0 HG1 THR A 46 26.215 17.123 -23.250 1.00 1.34 H new ATOM 0 HG21 THR A 46 27.818 17.807 -21.076 1.00 24.11 H new ATOM 0 HG22 THR A 46 27.338 16.505 -19.962 1.00 24.11 H new ATOM 0 HG23 THR A 46 27.656 16.139 -21.674 1.00 24.11 H new ATOM 754 N LYS A 47 23.372 16.188 -22.981 1.00 73.24 N ATOM 755 CA LYS A 47 22.062 16.440 -23.570 1.00 13.22 C ATOM 756 C LYS A 47 21.062 15.365 -23.154 1.00 44.24 C ATOM 757 O LYS A 47 19.937 15.669 -22.757 1.00 44.34 O ATOM 758 CB LYS A 47 22.166 16.492 -25.096 1.00 25.13 C ATOM 759 CG LYS A 47 20.848 16.794 -25.786 1.00 73.10 C ATOM 760 CD LYS A 47 20.242 18.095 -25.288 1.00 5.55 C ATOM 761 CE LYS A 47 21.133 19.285 -25.613 1.00 21.23 C ATOM 762 NZ LYS A 47 20.375 20.380 -26.279 1.00 31.23 N ATOM 0 H LYS A 47 24.125 16.075 -23.660 1.00 73.24 H new ATOM 0 HA LYS A 47 21.707 17.403 -23.204 1.00 13.22 H new ATOM 0 HB2 LYS A 47 22.895 17.252 -25.376 1.00 25.13 H new ATOM 0 HB3 LYS A 47 22.546 15.537 -25.459 1.00 25.13 H new ATOM 0 HG2 LYS A 47 21.006 16.854 -26.863 1.00 73.10 H new ATOM 0 HG3 LYS A 47 20.149 15.976 -25.611 1.00 73.10 H new ATOM 0 HD2 LYS A 47 19.262 18.238 -25.742 1.00 5.55 H new ATOM 0 HD3 LYS A 47 20.089 18.037 -24.210 1.00 5.55 H new ATOM 0 HE2 LYS A 47 21.584 19.662 -24.695 1.00 21.23 H new ATOM 0 HE3 LYS A 47 21.948 18.962 -26.260 1.00 21.23 H new ATOM 0 HZ1 LYS A 47 21.017 21.172 -26.484 1.00 31.23 H new ATOM 0 HZ2 LYS A 47 19.965 20.028 -27.168 1.00 31.23 H new ATOM 0 HZ3 LYS A 47 19.613 20.706 -25.651 1.00 31.23 H new ATOM 776 N VAL A 48 21.481 14.107 -23.247 1.00 71.13 N ATOM 777 CA VAL A 48 20.623 12.987 -22.879 1.00 23.14 C ATOM 778 C VAL A 48 21.020 12.415 -21.522 1.00 75.42 C ATOM 779 O VAL A 48 20.961 11.203 -21.307 1.00 13.40 O ATOM 780 CB VAL A 48 20.680 11.866 -23.933 1.00 62.41 C ATOM 781 CG1 VAL A 48 22.038 11.181 -23.912 1.00 23.22 C ATOM 782 CG2 VAL A 48 19.563 10.860 -23.701 1.00 70.42 C ATOM 0 H VAL A 48 22.409 13.838 -23.574 1.00 71.13 H new ATOM 0 HA VAL A 48 19.605 13.372 -22.825 1.00 23.14 H new ATOM 0 HB VAL A 48 20.539 12.310 -24.918 1.00 62.41 H new ATOM 0 HG11 VAL A 48 22.059 10.392 -24.664 1.00 23.22 H new ATOM 0 HG12 VAL A 48 22.817 11.911 -24.131 1.00 23.22 H new ATOM 0 HG13 VAL A 48 22.212 10.748 -22.927 1.00 23.22 H new ATOM 0 HG21 VAL A 48 19.618 10.075 -24.455 1.00 70.42 H new ATOM 0 HG22 VAL A 48 19.670 10.420 -22.710 1.00 70.42 H new ATOM 0 HG23 VAL A 48 18.599 11.364 -23.772 1.00 70.42 H new ATOM 792 N CYS A 49 21.422 13.293 -20.611 1.00 24.12 N ATOM 793 CA CYS A 49 21.829 12.875 -19.274 1.00 1.23 C ATOM 794 C CYS A 49 20.818 11.902 -18.677 1.00 34.00 C ATOM 795 O CYS A 49 21.146 10.772 -18.313 1.00 52.44 O ATOM 796 CB CYS A 49 21.983 14.093 -18.361 1.00 62.23 C ATOM 797 SG CYS A 49 21.668 13.750 -16.614 1.00 43.40 S ATOM 0 H CYS A 49 21.475 14.299 -20.773 1.00 24.12 H new ATOM 0 HA CYS A 49 22.790 12.367 -19.356 1.00 1.23 H new ATOM 0 HB2 CYS A 49 22.994 14.487 -18.466 1.00 62.23 H new ATOM 0 HB3 CYS A 49 21.300 14.874 -18.696 1.00 62.23 H new ATOM 0 HG CYS A 49 21.825 14.840 -15.923 1.00 43.40 H new ATOM 803 N PRO A 50 19.557 12.349 -18.571 1.00 64.14 N ATOM 804 CA PRO A 50 18.472 11.534 -18.018 1.00 21.41 C ATOM 805 C PRO A 50 18.089 10.378 -18.936 1.00 22.32 C ATOM 806 O PRO A 50 17.209 10.512 -19.785 1.00 3.52 O ATOM 807 CB PRO A 50 17.312 12.524 -17.893 1.00 41.54 C ATOM 808 CG PRO A 50 17.597 13.571 -18.914 1.00 51.33 C ATOM 809 CD PRO A 50 19.095 13.684 -18.985 1.00 13.32 C ATOM 0 HA PRO A 50 18.754 11.066 -17.075 1.00 21.41 H new ATOM 0 HB2 PRO A 50 16.355 12.038 -18.081 1.00 41.54 H new ATOM 0 HB3 PRO A 50 17.262 12.951 -16.891 1.00 41.54 H new ATOM 0 HG2 PRO A 50 17.180 13.295 -19.883 1.00 51.33 H new ATOM 0 HG3 PRO A 50 17.147 14.523 -18.633 1.00 51.33 H new ATOM 0 HD2 PRO A 50 19.432 13.932 -19.991 1.00 13.32 H new ATOM 0 HD3 PRO A 50 19.471 14.463 -18.322 1.00 13.32 H new ATOM 817 N ASN A 51 18.756 9.242 -18.759 1.00 31.43 N ATOM 818 CA ASN A 51 18.485 8.062 -19.572 1.00 31.31 C ATOM 819 C ASN A 51 16.988 7.776 -19.633 1.00 75.43 C ATOM 820 O ASN A 51 16.336 7.601 -18.604 1.00 11.15 O ATOM 821 CB ASN A 51 19.225 6.847 -19.008 1.00 12.01 C ATOM 822 CG ASN A 51 20.729 7.039 -19.000 1.00 61.45 C ATOM 823 OD1 ASN A 51 21.392 6.799 -17.991 1.00 14.32 O ATOM 824 ND2 ASN A 51 21.276 7.473 -20.130 1.00 73.32 N ATOM 0 H ASN A 51 19.488 9.114 -18.060 1.00 31.43 H new ATOM 0 HA ASN A 51 18.841 8.259 -20.583 1.00 31.31 H new ATOM 0 HB2 ASN A 51 18.881 6.655 -17.992 1.00 12.01 H new ATOM 0 HB3 ASN A 51 18.977 5.967 -19.601 1.00 12.01 H new ATOM 0 HD21 ASN A 51 22.284 7.620 -20.185 1.00 73.32 H new ATOM 0 HD22 ASN A 51 20.688 7.659 -20.942 1.00 73.32 H new ATOM 831 N ARG A 52 16.449 7.729 -20.847 1.00 70.44 N ATOM 832 CA ARG A 52 15.029 7.464 -21.043 1.00 53.35 C ATOM 833 C ARG A 52 14.820 6.314 -22.024 1.00 41.23 C ATOM 834 O ARG A 52 13.962 6.384 -22.905 1.00 14.03 O ATOM 835 CB ARG A 52 14.320 8.720 -21.555 1.00 64.03 C ATOM 836 CG ARG A 52 14.379 9.890 -20.587 1.00 4.01 C ATOM 837 CD ARG A 52 14.819 11.168 -21.284 1.00 2.24 C ATOM 838 NE ARG A 52 14.679 12.338 -20.421 1.00 21.05 N ATOM 839 CZ ARG A 52 14.795 13.589 -20.853 1.00 62.52 C ATOM 840 NH1 ARG A 52 15.052 13.830 -22.131 1.00 55.23 N ATOM 841 NH2 ARG A 52 14.654 14.600 -20.007 1.00 4.55 N ATOM 0 H ARG A 52 16.974 7.871 -21.710 1.00 70.44 H new ATOM 0 HA ARG A 52 14.602 7.180 -20.081 1.00 53.35 H new ATOM 0 HB2 ARG A 52 14.769 9.020 -22.502 1.00 64.03 H new ATOM 0 HB3 ARG A 52 13.276 8.480 -21.759 1.00 64.03 H new ATOM 0 HG2 ARG A 52 13.398 10.040 -20.135 1.00 4.01 H new ATOM 0 HG3 ARG A 52 15.071 9.659 -19.777 1.00 4.01 H new ATOM 0 HD2 ARG A 52 15.859 11.071 -21.597 1.00 2.24 H new ATOM 0 HD3 ARG A 52 14.226 11.311 -22.187 1.00 2.24 H new ATOM 0 HE ARG A 52 14.481 12.186 -19.432 1.00 21.05 H new ATOM 0 HH11 ARG A 52 15.161 13.054 -22.784 1.00 55.23 H new ATOM 0 HH12 ARG A 52 15.141 14.791 -22.461 1.00 55.23 H new ATOM 0 HH21 ARG A 52 14.456 14.418 -19.023 1.00 4.55 H new ATOM 0 HH22 ARG A 52 14.743 15.560 -20.340 1.00 4.55 H new ATOM 855 N CYS A 53 15.610 5.258 -21.866 1.00 43.32 N ATOM 856 CA CYS A 53 15.513 4.093 -22.739 1.00 3.34 C ATOM 857 C CYS A 53 14.766 2.958 -22.048 1.00 34.52 C ATOM 858 O CYS A 53 13.616 2.667 -22.378 1.00 72.41 O ATOM 859 CB CYS A 53 16.908 3.624 -23.154 1.00 23.53 C ATOM 860 SG CYS A 53 17.880 4.876 -24.023 1.00 64.44 S ATOM 0 H CYS A 53 16.325 5.184 -21.142 1.00 43.32 H new ATOM 0 HA CYS A 53 14.955 4.382 -23.630 1.00 3.34 H new ATOM 0 HB2 CYS A 53 17.453 3.309 -22.264 1.00 23.53 H new ATOM 0 HB3 CYS A 53 16.809 2.747 -23.794 1.00 23.53 H new ATOM 0 HG CYS A 53 19.023 4.369 -24.378 1.00 64.44 H new ATOM 866 N ASP A 54 15.426 2.318 -21.089 1.00 4.40 N ATOM 867 CA ASP A 54 14.825 1.213 -20.352 1.00 12.44 C ATOM 868 C ASP A 54 15.789 0.672 -19.301 1.00 65.02 C ATOM 869 O ASP A 54 15.636 0.935 -18.108 1.00 4.44 O ATOM 870 CB ASP A 54 14.416 0.095 -21.311 1.00 35.20 C ATOM 871 CG ASP A 54 12.923 0.077 -21.576 1.00 70.32 C ATOM 872 OD1 ASP A 54 12.153 -0.161 -20.622 1.00 22.33 O ATOM 873 OD2 ASP A 54 12.524 0.301 -22.738 1.00 5.41 O ATOM 0 H ASP A 54 16.378 2.546 -20.804 1.00 4.40 H new ATOM 0 HA ASP A 54 13.936 1.588 -19.844 1.00 12.44 H new ATOM 0 HB2 ASP A 54 14.948 0.217 -22.254 1.00 35.20 H new ATOM 0 HB3 ASP A 54 14.720 -0.866 -20.895 1.00 35.20 H new ATOM 878 N LEU A 55 16.782 -0.087 -19.752 1.00 42.33 N ATOM 879 CA LEU A 55 17.772 -0.667 -18.851 1.00 41.24 C ATOM 880 C LEU A 55 18.701 0.409 -18.297 1.00 72.14 C ATOM 881 O LEU A 55 19.080 0.373 -17.127 1.00 52.12 O ATOM 882 CB LEU A 55 18.589 -1.736 -19.579 1.00 74.05 C ATOM 883 CG LEU A 55 19.120 -1.350 -20.960 1.00 64.12 C ATOM 884 CD1 LEU A 55 20.557 -1.820 -21.130 1.00 33.25 C ATOM 885 CD2 LEU A 55 18.235 -1.930 -22.054 1.00 1.42 C ATOM 0 H LEU A 55 16.923 -0.315 -20.736 1.00 42.33 H new ATOM 0 HA LEU A 55 17.242 -1.128 -18.018 1.00 41.24 H new ATOM 0 HB2 LEU A 55 19.436 -2.009 -18.949 1.00 74.05 H new ATOM 0 HB3 LEU A 55 17.971 -2.627 -19.686 1.00 74.05 H new ATOM 0 HG LEU A 55 19.102 -0.263 -21.044 1.00 64.12 H new ATOM 0 HD11 LEU A 55 20.918 -1.536 -22.119 1.00 33.25 H new ATOM 0 HD12 LEU A 55 21.184 -1.357 -20.368 1.00 33.25 H new ATOM 0 HD13 LEU A 55 20.600 -2.904 -21.025 1.00 33.25 H new ATOM 0 HD21 LEU A 55 18.628 -1.645 -23.030 1.00 1.42 H new ATOM 0 HD22 LEU A 55 18.220 -3.017 -21.972 1.00 1.42 H new ATOM 0 HD23 LEU A 55 17.221 -1.544 -21.945 1.00 1.42 H new ATOM 897 N ALA A 56 19.062 1.366 -19.146 1.00 31.11 N ATOM 898 CA ALA A 56 19.942 2.454 -18.740 1.00 44.32 C ATOM 899 C ALA A 56 19.233 3.407 -17.783 1.00 61.44 C ATOM 900 O ALA A 56 19.868 4.055 -16.951 1.00 21.33 O ATOM 901 CB ALA A 56 20.446 3.209 -19.962 1.00 25.34 C ATOM 0 H ALA A 56 18.758 1.409 -20.119 1.00 31.11 H new ATOM 0 HA ALA A 56 20.794 2.022 -18.216 1.00 44.32 H new ATOM 0 HB1 ALA A 56 21.102 4.019 -19.644 1.00 25.34 H new ATOM 0 HB2 ALA A 56 20.998 2.527 -20.609 1.00 25.34 H new ATOM 0 HB3 ALA A 56 19.599 3.622 -20.509 1.00 25.34 H new ATOM 907 N THR A 57 17.912 3.488 -17.908 1.00 31.13 N ATOM 908 CA THR A 57 17.116 4.363 -17.055 1.00 64.45 C ATOM 909 C THR A 57 16.923 3.754 -15.671 1.00 42.22 C ATOM 910 O THR A 57 17.015 4.449 -14.659 1.00 61.54 O ATOM 911 CB THR A 57 15.736 4.647 -17.676 1.00 14.31 C ATOM 912 OG1 THR A 57 15.888 5.081 -19.032 1.00 71.21 O ATOM 913 CG2 THR A 57 14.993 5.709 -16.879 1.00 50.31 C ATOM 0 H THR A 57 17.371 2.959 -18.591 1.00 31.13 H new ATOM 0 HA THR A 57 17.665 5.300 -16.963 1.00 64.45 H new ATOM 0 HB THR A 57 15.155 3.725 -17.654 1.00 14.31 H new ATOM 0 HG1 THR A 57 15.005 5.166 -19.449 1.00 71.21 H new ATOM 0 HG21 THR A 57 14.021 5.893 -17.336 1.00 50.31 H new ATOM 0 HG22 THR A 57 14.853 5.363 -15.855 1.00 50.31 H new ATOM 0 HG23 THR A 57 15.573 6.632 -16.874 1.00 50.31 H new ATOM 921 N ALA A 58 16.656 2.453 -15.634 1.00 33.11 N ATOM 922 CA ALA A 58 16.452 1.751 -14.373 1.00 24.41 C ATOM 923 C ALA A 58 17.763 1.609 -13.606 1.00 72.20 C ATOM 924 O ALA A 58 17.820 1.866 -12.404 1.00 23.20 O ATOM 925 CB ALA A 58 15.835 0.383 -14.624 1.00 71.11 C ATOM 0 H ALA A 58 16.576 1.864 -16.463 1.00 33.11 H new ATOM 0 HA ALA A 58 15.766 2.340 -13.764 1.00 24.41 H new ATOM 0 HB1 ALA A 58 15.688 -0.130 -13.673 1.00 71.11 H new ATOM 0 HB2 ALA A 58 14.874 0.504 -15.123 1.00 71.11 H new ATOM 0 HB3 ALA A 58 16.500 -0.206 -15.255 1.00 71.11 H new ATOM 931 N ALA A 59 18.813 1.197 -14.309 1.00 51.41 N ATOM 932 CA ALA A 59 20.123 1.023 -13.694 1.00 71.32 C ATOM 933 C ALA A 59 20.688 2.356 -13.217 1.00 52.45 C ATOM 934 O ALA A 59 21.447 2.409 -12.250 1.00 1.42 O ATOM 935 CB ALA A 59 21.081 0.361 -14.673 1.00 64.02 C ATOM 0 H ALA A 59 18.782 0.978 -15.305 1.00 51.41 H new ATOM 0 HA ALA A 59 20.006 0.377 -12.824 1.00 71.32 H new ATOM 0 HB1 ALA A 59 22.056 0.237 -14.201 1.00 64.02 H new ATOM 0 HB2 ALA A 59 20.690 -0.615 -14.961 1.00 64.02 H new ATOM 0 HB3 ALA A 59 21.184 0.986 -15.560 1.00 64.02 H new ATOM 941 N ASP A 60 20.313 3.431 -13.903 1.00 23.02 N ATOM 942 CA ASP A 60 20.783 4.766 -13.549 1.00 33.52 C ATOM 943 C ASP A 60 20.125 5.249 -12.260 1.00 24.43 C ATOM 944 O ASP A 60 20.803 5.711 -11.342 1.00 13.24 O ATOM 945 CB ASP A 60 20.492 5.749 -14.683 1.00 44.15 C ATOM 946 CG ASP A 60 20.715 7.191 -14.271 1.00 62.11 C ATOM 947 OD1 ASP A 60 21.681 7.451 -13.524 1.00 10.23 O ATOM 948 OD2 ASP A 60 19.923 8.059 -14.695 1.00 63.21 O ATOM 0 H ASP A 60 19.685 3.404 -14.707 1.00 23.02 H new ATOM 0 HA ASP A 60 21.860 4.715 -13.390 1.00 33.52 H new ATOM 0 HB2 ASP A 60 21.130 5.515 -15.535 1.00 44.15 H new ATOM 0 HB3 ASP A 60 19.461 5.624 -15.013 1.00 44.15 H new ATOM 953 N ARG A 61 18.802 5.139 -12.199 1.00 23.31 N ATOM 954 CA ARG A 61 18.053 5.566 -11.023 1.00 44.44 C ATOM 955 C ARG A 61 18.604 4.911 -9.760 1.00 1.50 C ATOM 956 O ARG A 61 18.641 5.528 -8.695 1.00 64.44 O ATOM 957 CB ARG A 61 16.571 5.223 -11.184 1.00 42.30 C ATOM 958 CG ARG A 61 15.686 6.438 -11.410 1.00 31.04 C ATOM 959 CD ARG A 61 15.879 7.017 -12.802 1.00 43.42 C ATOM 960 NE ARG A 61 16.901 8.061 -12.824 1.00 30.22 N ATOM 961 CZ ARG A 61 16.991 8.982 -13.777 1.00 34.13 C ATOM 962 NH1 ARG A 61 16.124 8.989 -14.780 1.00 61.12 N ATOM 963 NH2 ARG A 61 17.948 9.899 -13.727 1.00 24.13 N ATOM 0 H ARG A 61 18.227 4.758 -12.950 1.00 23.31 H new ATOM 0 HA ARG A 61 18.160 6.646 -10.927 1.00 44.44 H new ATOM 0 HB2 ARG A 61 16.454 4.538 -12.024 1.00 42.30 H new ATOM 0 HB3 ARG A 61 16.230 4.696 -10.293 1.00 42.30 H new ATOM 0 HG2 ARG A 61 14.641 6.159 -11.273 1.00 31.04 H new ATOM 0 HG3 ARG A 61 15.914 7.199 -10.664 1.00 31.04 H new ATOM 0 HD2 ARG A 61 16.160 6.220 -13.490 1.00 43.42 H new ATOM 0 HD3 ARG A 61 14.934 7.427 -13.158 1.00 43.42 H new ATOM 0 HE ARG A 61 17.583 8.084 -12.066 1.00 30.22 H new ATOM 0 HH11 ARG A 61 15.386 8.286 -14.821 1.00 61.12 H new ATOM 0 HH12 ARG A 61 16.195 9.697 -15.511 1.00 61.12 H new ATOM 0 HH21 ARG A 61 18.616 9.898 -12.956 1.00 24.13 H new ATOM 0 HH22 ARG A 61 18.016 10.606 -14.459 1.00 24.13 H new ATOM 977 N ALA A 62 19.030 3.659 -9.886 1.00 72.14 N ATOM 978 CA ALA A 62 19.580 2.921 -8.756 1.00 14.11 C ATOM 979 C ALA A 62 21.060 3.233 -8.564 1.00 51.13 C ATOM 980 O ALA A 62 21.524 3.421 -7.440 1.00 71.31 O ATOM 981 CB ALA A 62 19.374 1.426 -8.951 1.00 42.20 C ATOM 0 H ALA A 62 19.005 3.134 -10.760 1.00 72.14 H new ATOM 0 HA ALA A 62 19.050 3.235 -7.857 1.00 14.11 H new ATOM 0 HB1 ALA A 62 19.790 0.887 -8.099 1.00 42.20 H new ATOM 0 HB2 ALA A 62 18.308 1.213 -9.030 1.00 42.20 H new ATOM 0 HB3 ALA A 62 19.877 1.105 -9.864 1.00 42.20 H new ATOM 987 N ALA A 63 21.796 3.286 -9.669 1.00 44.23 N ATOM 988 CA ALA A 63 23.224 3.577 -9.622 1.00 60.45 C ATOM 989 C ALA A 63 23.489 4.924 -8.960 1.00 13.23 C ATOM 990 O ALA A 63 24.471 5.090 -8.236 1.00 32.11 O ATOM 991 CB ALA A 63 23.814 3.551 -11.025 1.00 1.13 C ATOM 0 H ALA A 63 21.427 3.131 -10.607 1.00 44.23 H new ATOM 0 HA ALA A 63 23.707 2.806 -9.022 1.00 60.45 H new ATOM 0 HB1 ALA A 63 24.881 3.770 -10.975 1.00 1.13 H new ATOM 0 HB2 ALA A 63 23.666 2.564 -11.464 1.00 1.13 H new ATOM 0 HB3 ALA A 63 23.318 4.300 -11.642 1.00 1.13 H new ATOM 997 N LYS A 64 22.607 5.886 -9.212 1.00 32.42 N ATOM 998 CA LYS A 64 22.744 7.220 -8.639 1.00 70.45 C ATOM 999 C LYS A 64 22.726 7.162 -7.115 1.00 42.23 C ATOM 1000 O LYS A 64 23.176 8.090 -6.444 1.00 52.12 O ATOM 1001 CB LYS A 64 21.620 8.129 -9.139 1.00 54.53 C ATOM 1002 CG LYS A 64 21.799 8.584 -10.578 1.00 34.44 C ATOM 1003 CD LYS A 64 23.027 9.463 -10.736 1.00 3.32 C ATOM 1004 CE LYS A 64 22.936 10.710 -9.869 1.00 73.10 C ATOM 1005 NZ LYS A 64 23.894 11.762 -10.308 1.00 12.14 N ATOM 0 H LYS A 64 21.789 5.766 -9.810 1.00 32.42 H new ATOM 0 HA LYS A 64 23.703 7.629 -8.958 1.00 70.45 H new ATOM 0 HB2 LYS A 64 20.670 7.601 -9.049 1.00 54.53 H new ATOM 0 HB3 LYS A 64 21.560 9.006 -8.494 1.00 54.53 H new ATOM 0 HG2 LYS A 64 21.888 7.713 -11.227 1.00 34.44 H new ATOM 0 HG3 LYS A 64 20.914 9.133 -10.900 1.00 34.44 H new ATOM 0 HD2 LYS A 64 23.918 8.896 -10.467 1.00 3.32 H new ATOM 0 HD3 LYS A 64 23.136 9.753 -11.781 1.00 3.32 H new ATOM 0 HE2 LYS A 64 21.921 11.105 -9.906 1.00 73.10 H new ATOM 0 HE3 LYS A 64 23.137 10.446 -8.831 1.00 73.10 H new ATOM 0 HZ1 LYS A 64 23.801 12.595 -9.692 1.00 12.14 H new ATOM 0 HZ2 LYS A 64 24.865 11.394 -10.248 1.00 12.14 H new ATOM 0 HZ3 LYS A 64 23.686 12.033 -11.290 1.00 12.14 H new ATOM 1019 N GLY A 65 22.205 6.065 -6.575 1.00 32.13 N ATOM 1020 CA GLY A 65 22.140 5.907 -5.134 1.00 32.24 C ATOM 1021 C GLY A 65 20.722 5.707 -4.636 1.00 1.55 C ATOM 1022 O GLY A 65 20.431 5.937 -3.462 1.00 43.51 O ATOM 0 H GLY A 65 21.827 5.283 -7.109 1.00 32.13 H new ATOM 0 HA2 GLY A 65 22.750 5.054 -4.837 1.00 32.24 H new ATOM 0 HA3 GLY A 65 22.569 6.787 -4.655 1.00 32.24 H new ATOM 1026 N ALA A 66 19.837 5.280 -5.530 1.00 30.11 N ATOM 1027 CA ALA A 66 18.442 5.050 -5.175 1.00 23.54 C ATOM 1028 C ALA A 66 17.855 6.254 -4.447 1.00 52.34 C ATOM 1029 O ALA A 66 17.551 6.185 -3.256 1.00 43.22 O ATOM 1030 CB ALA A 66 18.316 3.799 -4.317 1.00 13.44 C ATOM 0 H ALA A 66 20.061 5.086 -6.506 1.00 30.11 H new ATOM 0 HA ALA A 66 17.877 4.905 -6.096 1.00 23.54 H new ATOM 0 HB1 ALA A 66 17.269 3.639 -4.059 1.00 13.44 H new ATOM 0 HB2 ALA A 66 18.689 2.938 -4.872 1.00 13.44 H new ATOM 0 HB3 ALA A 66 18.900 3.923 -3.405 1.00 13.44 H new ATOM 1036 N TYR A 67 17.698 7.357 -5.171 1.00 11.22 N ATOM 1037 CA TYR A 67 17.150 8.579 -4.593 1.00 74.42 C ATOM 1038 C TYR A 67 15.864 8.288 -3.825 1.00 54.53 C ATOM 1039 O TYR A 67 14.808 8.074 -4.419 1.00 15.33 O ATOM 1040 CB TYR A 67 16.880 9.610 -5.690 1.00 41.10 C ATOM 1041 CG TYR A 67 17.334 11.007 -5.332 1.00 43.22 C ATOM 1042 CD1 TYR A 67 18.686 11.323 -5.264 1.00 12.13 C ATOM 1043 CD2 TYR A 67 16.413 12.011 -5.062 1.00 34.24 C ATOM 1044 CE1 TYR A 67 19.106 12.598 -4.936 1.00 74.14 C ATOM 1045 CE2 TYR A 67 16.823 13.289 -4.735 1.00 63.31 C ATOM 1046 CZ TYR A 67 18.171 13.577 -4.674 1.00 13.35 C ATOM 1047 OH TYR A 67 18.584 14.849 -4.347 1.00 72.42 O ATOM 0 H TYR A 67 17.942 7.430 -6.159 1.00 11.22 H new ATOM 0 HA TYR A 67 17.885 8.983 -3.897 1.00 74.42 H new ATOM 0 HB2 TYR A 67 17.384 9.296 -6.604 1.00 41.10 H new ATOM 0 HB3 TYR A 67 15.812 9.628 -5.905 1.00 41.10 H new ATOM 0 HD1 TYR A 67 19.421 10.559 -5.471 1.00 12.13 H new ATOM 0 HD2 TYR A 67 15.357 11.789 -5.109 1.00 34.24 H new ATOM 0 HE1 TYR A 67 20.160 12.826 -4.885 1.00 74.14 H new ATOM 0 HE2 TYR A 67 16.093 14.058 -4.528 1.00 63.31 H new ATOM 0 HH TYR A 67 17.801 15.418 -4.194 1.00 72.42 H new ATOM 1057 N GLY A 68 15.962 8.284 -2.499 1.00 50.12 N ATOM 1058 CA GLY A 68 14.801 8.020 -1.670 1.00 54.11 C ATOM 1059 C GLY A 68 13.811 9.169 -1.675 1.00 63.54 C ATOM 1060 O GLY A 68 13.742 9.933 -2.638 1.00 42.10 O ATOM 0 H GLY A 68 16.825 8.459 -1.984 1.00 50.12 H new ATOM 0 HA2 GLY A 68 14.305 7.116 -2.022 1.00 54.11 H new ATOM 0 HA3 GLY A 68 15.125 7.828 -0.647 1.00 54.11 H new ATOM 1064 N TYR A 69 13.043 9.290 -0.599 1.00 35.20 N ATOM 1065 CA TYR A 69 12.049 10.351 -0.485 1.00 30.11 C ATOM 1066 C TYR A 69 11.064 10.302 -1.649 1.00 11.21 C ATOM 1067 O TYR A 69 11.283 10.924 -2.689 1.00 12.14 O ATOM 1068 CB TYR A 69 12.735 11.717 -0.439 1.00 55.53 C ATOM 1069 CG TYR A 69 12.554 12.442 0.875 1.00 13.13 C ATOM 1070 CD1 TYR A 69 13.047 11.908 2.059 1.00 34.14 C ATOM 1071 CD2 TYR A 69 11.891 13.662 0.933 1.00 35.21 C ATOM 1072 CE1 TYR A 69 12.883 12.566 3.263 1.00 52.23 C ATOM 1073 CE2 TYR A 69 11.723 14.328 2.132 1.00 64.12 C ATOM 1074 CZ TYR A 69 12.221 13.776 3.294 1.00 72.12 C ATOM 1075 OH TYR A 69 12.057 14.435 4.490 1.00 11.53 O ATOM 0 H TYR A 69 13.089 8.667 0.207 1.00 35.20 H new ATOM 0 HA TYR A 69 11.495 10.198 0.442 1.00 30.11 H new ATOM 0 HB2 TYR A 69 13.800 11.586 -0.628 1.00 55.53 H new ATOM 0 HB3 TYR A 69 12.343 12.338 -1.244 1.00 55.53 H new ATOM 0 HD1 TYR A 69 13.568 10.962 2.038 1.00 34.14 H new ATOM 0 HD2 TYR A 69 11.500 14.097 0.025 1.00 35.21 H new ATOM 0 HE1 TYR A 69 13.271 12.136 4.174 1.00 52.23 H new ATOM 0 HE2 TYR A 69 11.205 15.275 2.159 1.00 64.12 H new ATOM 0 HH TYR A 69 11.571 15.272 4.338 1.00 11.53 H new ATOM 1085 N ASP A 70 9.978 9.559 -1.465 1.00 41.14 N ATOM 1086 CA ASP A 70 8.957 9.429 -2.498 1.00 51.34 C ATOM 1087 C ASP A 70 7.566 9.335 -1.879 1.00 21.12 C ATOM 1088 O ASP A 70 7.277 8.416 -1.113 1.00 25.45 O ATOM 1089 CB ASP A 70 9.229 8.197 -3.362 1.00 72.23 C ATOM 1090 CG ASP A 70 9.085 8.485 -4.844 1.00 34.23 C ATOM 1091 OD1 ASP A 70 8.254 9.345 -5.202 1.00 50.32 O ATOM 1092 OD2 ASP A 70 9.802 7.849 -5.645 1.00 11.13 O ATOM 0 H ASP A 70 9.782 9.038 -0.610 1.00 41.14 H new ATOM 0 HA ASP A 70 8.996 10.319 -3.126 1.00 51.34 H new ATOM 0 HB2 ASP A 70 10.236 7.832 -3.162 1.00 72.23 H new ATOM 0 HB3 ASP A 70 8.540 7.401 -3.081 1.00 72.23 H new ATOM 1097 N VAL A 71 6.708 10.293 -2.215 1.00 73.51 N ATOM 1098 CA VAL A 71 5.347 10.318 -1.692 1.00 70.40 C ATOM 1099 C VAL A 71 4.597 9.040 -2.051 1.00 55.11 C ATOM 1100 O VAL A 71 3.878 8.478 -1.225 1.00 52.41 O ATOM 1101 CB VAL A 71 4.562 11.529 -2.228 1.00 53.24 C ATOM 1102 CG1 VAL A 71 3.073 11.357 -1.970 1.00 54.35 C ATOM 1103 CG2 VAL A 71 5.075 12.816 -1.601 1.00 12.44 C ATOM 0 H VAL A 71 6.931 11.062 -2.847 1.00 73.51 H new ATOM 0 HA VAL A 71 5.426 10.397 -0.608 1.00 70.40 H new ATOM 0 HB VAL A 71 4.715 11.591 -3.305 1.00 53.24 H new ATOM 0 HG11 VAL A 71 2.535 12.223 -2.356 1.00 54.35 H new ATOM 0 HG12 VAL A 71 2.719 10.456 -2.471 1.00 54.35 H new ATOM 0 HG13 VAL A 71 2.897 11.269 -0.898 1.00 54.35 H new ATOM 0 HG21 VAL A 71 4.509 13.662 -1.991 1.00 12.44 H new ATOM 0 HG22 VAL A 71 4.954 12.767 -0.519 1.00 12.44 H new ATOM 0 HG23 VAL A 71 6.130 12.943 -1.843 1.00 12.44 H new ATOM 1113 N GLN A 72 4.769 8.587 -3.289 1.00 24.25 N ATOM 1114 CA GLN A 72 4.108 7.375 -3.757 1.00 33.21 C ATOM 1115 C GLN A 72 4.875 6.750 -4.918 1.00 33.35 C ATOM 1116 O GLN A 72 4.283 6.338 -5.916 1.00 61.24 O ATOM 1117 CB GLN A 72 2.673 7.685 -4.187 1.00 11.43 C ATOM 1118 CG GLN A 72 1.683 7.706 -3.033 1.00 42.11 C ATOM 1119 CD GLN A 72 1.716 6.431 -2.213 1.00 1.50 C ATOM 1120 OE1 GLN A 72 1.550 5.333 -2.744 1.00 42.24 O ATOM 1121 NE2 GLN A 72 1.931 6.571 -0.910 1.00 62.01 N ATOM 0 H GLN A 72 5.360 9.041 -3.985 1.00 24.25 H new ATOM 0 HA GLN A 72 4.087 6.662 -2.933 1.00 33.21 H new ATOM 0 HB2 GLN A 72 2.654 8.652 -4.689 1.00 11.43 H new ATOM 0 HB3 GLN A 72 2.352 6.941 -4.916 1.00 11.43 H new ATOM 0 HG2 GLN A 72 1.903 8.555 -2.386 1.00 42.11 H new ATOM 0 HG3 GLN A 72 0.677 7.856 -3.425 1.00 42.11 H new ATOM 0 HE21 GLN A 72 2.063 7.501 -0.512 1.00 62.01 H new ATOM 0 HE22 GLN A 72 1.964 5.749 -0.307 1.00 62.01 H new ATOM 1130 N LEU A 73 6.194 6.682 -4.780 1.00 2.12 N ATOM 1131 CA LEU A 73 7.043 6.107 -5.817 1.00 43.15 C ATOM 1132 C LEU A 73 6.760 6.750 -7.171 1.00 74.24 C ATOM 1133 O LEU A 73 6.664 6.064 -8.190 1.00 25.55 O ATOM 1134 CB LEU A 73 6.826 4.595 -5.902 1.00 50.32 C ATOM 1135 CG LEU A 73 7.117 3.803 -4.627 1.00 65.14 C ATOM 1136 CD1 LEU A 73 8.393 4.303 -3.968 1.00 64.10 C ATOM 1137 CD2 LEU A 73 5.945 3.895 -3.662 1.00 54.12 C ATOM 0 H LEU A 73 6.699 7.018 -3.960 1.00 2.12 H new ATOM 0 HA LEU A 73 8.082 6.304 -5.552 1.00 43.15 H new ATOM 0 HB2 LEU A 73 5.791 4.412 -6.191 1.00 50.32 H new ATOM 0 HB3 LEU A 73 7.454 4.202 -6.701 1.00 50.32 H new ATOM 0 HG LEU A 73 7.258 2.756 -4.897 1.00 65.14 H new ATOM 0 HD11 LEU A 73 8.584 3.728 -3.062 1.00 64.10 H new ATOM 0 HD12 LEU A 73 9.229 4.184 -4.657 1.00 64.10 H new ATOM 0 HD13 LEU A 73 8.282 5.357 -3.712 1.00 64.10 H new ATOM 0 HD21 LEU A 73 6.170 3.325 -2.761 1.00 54.12 H new ATOM 0 HD22 LEU A 73 5.772 4.938 -3.398 1.00 54.12 H new ATOM 0 HD23 LEU A 73 5.051 3.487 -4.135 1.00 54.12 H new ATOM 1149 N THR A 74 6.627 8.073 -7.177 1.00 21.33 N ATOM 1150 CA THR A 74 6.356 8.809 -8.405 1.00 34.30 C ATOM 1151 C THR A 74 7.592 8.869 -9.295 1.00 30.04 C ATOM 1152 O THR A 74 7.489 9.062 -10.507 1.00 25.24 O ATOM 1153 CB THR A 74 5.881 10.243 -8.107 1.00 0.51 C ATOM 1154 OG1 THR A 74 4.888 10.227 -7.075 1.00 63.31 O ATOM 1155 CG2 THR A 74 5.309 10.895 -9.357 1.00 44.01 C ATOM 0 H THR A 74 6.703 8.657 -6.344 1.00 21.33 H new ATOM 0 HA THR A 74 5.563 8.273 -8.926 1.00 34.30 H new ATOM 0 HB THR A 74 6.741 10.824 -7.774 1.00 0.51 H new ATOM 0 HG1 THR A 74 4.593 11.143 -6.891 1.00 63.31 H new ATOM 0 HG21 THR A 74 4.980 11.907 -9.121 1.00 44.01 H new ATOM 0 HG22 THR A 74 6.076 10.933 -10.131 1.00 44.01 H new ATOM 0 HG23 THR A 74 4.461 10.312 -9.716 1.00 44.01 H new ATOM 1163 N THR A 75 8.762 8.702 -8.686 1.00 1.21 N ATOM 1164 CA THR A 75 10.019 8.738 -9.423 1.00 10.22 C ATOM 1165 C THR A 75 10.059 7.655 -10.495 1.00 10.12 C ATOM 1166 O THR A 75 10.367 7.927 -11.656 1.00 11.50 O ATOM 1167 CB THR A 75 11.226 8.559 -8.483 1.00 44.43 C ATOM 1168 OG1 THR A 75 11.161 7.282 -7.839 1.00 10.30 O ATOM 1169 CG2 THR A 75 11.264 9.661 -7.435 1.00 32.24 C ATOM 0 H THR A 75 8.865 8.540 -7.684 1.00 1.21 H new ATOM 0 HA THR A 75 10.079 9.717 -9.898 1.00 10.22 H new ATOM 0 HB THR A 75 12.136 8.617 -9.081 1.00 44.43 H new ATOM 0 HG1 THR A 75 10.800 7.390 -6.934 1.00 10.30 H new ATOM 0 HG21 THR A 75 12.125 9.513 -6.783 1.00 32.24 H new ATOM 0 HG22 THR A 75 11.344 10.630 -7.928 1.00 32.24 H new ATOM 0 HG23 THR A 75 10.350 9.631 -6.842 1.00 32.24 H new ATOM 1177 N LEU A 76 9.745 6.426 -10.099 1.00 44.35 N ATOM 1178 CA LEU A 76 9.745 5.301 -11.028 1.00 33.24 C ATOM 1179 C LEU A 76 8.488 5.309 -11.893 1.00 4.23 C ATOM 1180 O LEU A 76 8.543 5.023 -13.089 1.00 31.42 O ATOM 1181 CB LEU A 76 9.840 3.981 -10.260 1.00 3.21 C ATOM 1182 CG LEU A 76 10.297 2.766 -11.068 1.00 53.01 C ATOM 1183 CD1 LEU A 76 11.777 2.872 -11.401 1.00 31.42 C ATOM 1184 CD2 LEU A 76 10.010 1.480 -10.306 1.00 51.42 C ATOM 0 H LEU A 76 9.488 6.183 -9.142 1.00 44.35 H new ATOM 0 HA LEU A 76 10.613 5.399 -11.680 1.00 33.24 H new ATOM 0 HB2 LEU A 76 10.529 4.118 -9.426 1.00 3.21 H new ATOM 0 HB3 LEU A 76 8.862 3.761 -9.833 1.00 3.21 H new ATOM 0 HG LEU A 76 9.737 2.744 -12.003 1.00 53.01 H new ATOM 0 HD11 LEU A 76 12.084 1.998 -11.976 1.00 31.42 H new ATOM 0 HD12 LEU A 76 11.954 3.773 -11.988 1.00 31.42 H new ATOM 0 HD13 LEU A 76 12.355 2.920 -10.478 1.00 31.42 H new ATOM 0 HD21 LEU A 76 10.342 0.626 -10.896 1.00 51.42 H new ATOM 0 HD22 LEU A 76 10.543 1.494 -9.355 1.00 51.42 H new ATOM 0 HD23 LEU A 76 8.939 1.399 -10.120 1.00 51.42 H new ATOM 1196 N LYS A 77 7.357 5.642 -11.280 1.00 60.35 N ATOM 1197 CA LYS A 77 6.086 5.692 -11.994 1.00 65.30 C ATOM 1198 C LYS A 77 6.138 6.714 -13.125 1.00 75.42 C ATOM 1199 O LYS A 77 5.619 6.473 -14.215 1.00 30.53 O ATOM 1200 CB LYS A 77 4.950 6.039 -11.030 1.00 32.32 C ATOM 1201 CG LYS A 77 3.700 5.200 -11.235 1.00 65.32 C ATOM 1202 CD LYS A 77 3.926 3.754 -10.827 1.00 24.35 C ATOM 1203 CE LYS A 77 4.128 3.624 -9.325 1.00 12.05 C ATOM 1204 NZ LYS A 77 5.566 3.479 -8.968 1.00 45.23 N ATOM 0 H LYS A 77 7.294 5.881 -10.290 1.00 60.35 H new ATOM 0 HA LYS A 77 5.900 4.708 -12.425 1.00 65.30 H new ATOM 0 HB2 LYS A 77 5.301 5.909 -10.006 1.00 32.32 H new ATOM 0 HB3 LYS A 77 4.694 7.092 -11.148 1.00 32.32 H new ATOM 0 HG2 LYS A 77 2.880 5.619 -10.653 1.00 65.32 H new ATOM 0 HG3 LYS A 77 3.401 5.241 -12.282 1.00 65.32 H new ATOM 0 HD2 LYS A 77 3.072 3.150 -11.134 1.00 24.35 H new ATOM 0 HD3 LYS A 77 4.799 3.360 -11.348 1.00 24.35 H new ATOM 0 HE2 LYS A 77 3.717 4.502 -8.826 1.00 12.05 H new ATOM 0 HE3 LYS A 77 3.574 2.760 -8.958 1.00 12.05 H new ATOM 0 HZ1 LYS A 77 5.673 2.731 -8.253 1.00 45.23 H new ATOM 0 HZ2 LYS A 77 6.111 3.227 -9.817 1.00 45.23 H new ATOM 0 HZ3 LYS A 77 5.921 4.378 -8.584 1.00 45.23 H new ATOM 1218 N GLU A 78 6.767 7.854 -12.859 1.00 31.13 N ATOM 1219 CA GLU A 78 6.885 8.911 -13.856 1.00 4.32 C ATOM 1220 C GLU A 78 8.004 8.602 -14.847 1.00 32.22 C ATOM 1221 O GLU A 78 8.007 9.101 -15.972 1.00 14.51 O ATOM 1222 CB GLU A 78 7.149 10.257 -13.176 1.00 62.50 C ATOM 1223 CG GLU A 78 7.209 11.426 -14.144 1.00 2.20 C ATOM 1224 CD GLU A 78 6.209 12.515 -13.807 1.00 32.45 C ATOM 1225 OE1 GLU A 78 5.041 12.179 -13.520 1.00 13.43 O ATOM 1226 OE2 GLU A 78 6.595 13.702 -13.829 1.00 51.13 O ATOM 0 H GLU A 78 7.202 8.069 -11.962 1.00 31.13 H new ATOM 0 HA GLU A 78 5.944 8.966 -14.403 1.00 4.32 H new ATOM 0 HB2 GLU A 78 6.365 10.444 -12.442 1.00 62.50 H new ATOM 0 HB3 GLU A 78 8.090 10.200 -12.629 1.00 62.50 H new ATOM 0 HG2 GLU A 78 8.214 11.847 -14.138 1.00 2.20 H new ATOM 0 HG3 GLU A 78 7.021 11.065 -15.155 1.00 2.20 H new ATOM 1233 N ASP A 79 8.952 7.775 -14.420 1.00 2.30 N ATOM 1234 CA ASP A 79 10.076 7.398 -15.269 1.00 4.02 C ATOM 1235 C ASP A 79 9.662 6.332 -16.278 1.00 35.10 C ATOM 1236 O ASP A 79 9.984 6.426 -17.463 1.00 21.04 O ATOM 1237 CB ASP A 79 11.238 6.886 -14.416 1.00 31.14 C ATOM 1238 CG ASP A 79 12.088 8.011 -13.860 1.00 1.24 C ATOM 1239 OD1 ASP A 79 12.139 9.086 -14.494 1.00 61.11 O ATOM 1240 OD2 ASP A 79 12.702 7.818 -12.790 1.00 32.44 O ATOM 0 H ASP A 79 8.964 7.353 -13.491 1.00 2.30 H new ATOM 0 HA ASP A 79 10.399 8.284 -15.816 1.00 4.02 H new ATOM 0 HB2 ASP A 79 10.845 6.290 -13.592 1.00 31.14 H new ATOM 0 HB3 ASP A 79 11.863 6.226 -15.017 1.00 31.14 H new ATOM 1245 N ILE A 80 8.946 5.319 -15.801 1.00 3.14 N ATOM 1246 CA ILE A 80 8.488 4.236 -16.661 1.00 72.32 C ATOM 1247 C ILE A 80 7.491 4.742 -17.698 1.00 34.30 C ATOM 1248 O ILE A 80 7.518 4.325 -18.856 1.00 64.10 O ATOM 1249 CB ILE A 80 7.833 3.106 -15.844 1.00 40.31 C ATOM 1250 CG1 ILE A 80 7.371 1.979 -16.770 1.00 52.41 C ATOM 1251 CG2 ILE A 80 6.664 3.647 -15.035 1.00 10.33 C ATOM 1252 CD1 ILE A 80 8.485 1.387 -17.604 1.00 22.11 C ATOM 0 H ILE A 80 8.671 5.226 -14.823 1.00 3.14 H new ATOM 0 HA ILE A 80 9.369 3.842 -17.169 1.00 72.32 H new ATOM 0 HB ILE A 80 8.572 2.702 -15.152 1.00 40.31 H new ATOM 0 HG12 ILE A 80 6.918 1.189 -16.170 1.00 52.41 H new ATOM 0 HG13 ILE A 80 6.595 2.360 -17.433 1.00 52.41 H new ATOM 0 HG21 ILE A 80 6.211 2.837 -14.463 1.00 10.33 H new ATOM 0 HG22 ILE A 80 7.020 4.418 -14.352 1.00 10.33 H new ATOM 0 HG23 ILE A 80 5.922 4.074 -15.709 1.00 10.33 H new ATOM 0 HD11 ILE A 80 8.085 0.594 -18.236 1.00 22.11 H new ATOM 0 HD12 ILE A 80 8.923 2.164 -18.230 1.00 22.11 H new ATOM 0 HD13 ILE A 80 9.252 0.975 -16.948 1.00 22.11 H new ATOM 1264 N ARG A 81 6.612 5.644 -17.274 1.00 54.04 N ATOM 1265 CA ARG A 81 5.606 6.208 -18.166 1.00 74.03 C ATOM 1266 C ARG A 81 6.247 7.147 -19.184 1.00 75.55 C ATOM 1267 O ARG A 81 5.766 7.280 -20.311 1.00 31.32 O ATOM 1268 CB ARG A 81 4.544 6.960 -17.362 1.00 33.35 C ATOM 1269 CG ARG A 81 4.981 8.348 -16.923 1.00 24.54 C ATOM 1270 CD ARG A 81 4.490 9.417 -17.886 1.00 5.14 C ATOM 1271 NE ARG A 81 3.034 9.431 -17.992 1.00 30.01 N ATOM 1272 CZ ARG A 81 2.351 10.390 -18.608 1.00 22.33 C ATOM 1273 NH1 ARG A 81 2.990 11.407 -19.170 1.00 32.34 N ATOM 1274 NH2 ARG A 81 1.027 10.332 -18.663 1.00 34.03 N ATOM 0 H ARG A 81 6.576 6.000 -16.319 1.00 54.04 H new ATOM 0 HA ARG A 81 5.132 5.386 -18.703 1.00 74.03 H new ATOM 0 HB2 ARG A 81 3.639 7.047 -17.963 1.00 33.35 H new ATOM 0 HB3 ARG A 81 4.286 6.374 -16.480 1.00 33.35 H new ATOM 0 HG2 ARG A 81 4.597 8.553 -15.924 1.00 24.54 H new ATOM 0 HG3 ARG A 81 6.069 8.385 -16.860 1.00 24.54 H new ATOM 0 HD2 ARG A 81 4.838 10.394 -17.551 1.00 5.14 H new ATOM 0 HD3 ARG A 81 4.924 9.244 -18.871 1.00 5.14 H new ATOM 0 HE ARG A 81 2.512 8.663 -17.570 1.00 30.01 H new ATOM 0 HH11 ARG A 81 4.008 11.454 -19.130 1.00 32.34 H new ATOM 0 HH12 ARG A 81 2.463 12.142 -19.642 1.00 32.34 H new ATOM 0 HH21 ARG A 81 0.532 9.551 -18.232 1.00 34.03 H new ATOM 0 HH22 ARG A 81 0.503 11.069 -19.136 1.00 34.03 H new ATOM 1288 N LEU A 82 7.333 7.795 -18.781 1.00 42.30 N ATOM 1289 CA LEU A 82 8.040 8.722 -19.658 1.00 5.33 C ATOM 1290 C LEU A 82 8.749 7.975 -20.782 1.00 64.35 C ATOM 1291 O LEU A 82 8.705 8.389 -21.940 1.00 65.04 O ATOM 1292 CB LEU A 82 9.054 9.541 -18.856 1.00 30.20 C ATOM 1293 CG LEU A 82 9.733 10.688 -19.605 1.00 21.01 C ATOM 1294 CD1 LEU A 82 10.829 10.156 -20.515 1.00 43.21 C ATOM 1295 CD2 LEU A 82 8.711 11.481 -20.405 1.00 52.45 C ATOM 0 H LEU A 82 7.744 7.696 -17.853 1.00 42.30 H new ATOM 0 HA LEU A 82 7.306 9.396 -20.101 1.00 5.33 H new ATOM 0 HB2 LEU A 82 8.549 9.953 -17.982 1.00 30.20 H new ATOM 0 HB3 LEU A 82 9.827 8.866 -18.488 1.00 30.20 H new ATOM 0 HG LEU A 82 10.189 11.355 -18.873 1.00 21.01 H new ATOM 0 HD11 LEU A 82 11.301 10.986 -21.040 1.00 43.21 H new ATOM 0 HD12 LEU A 82 11.576 9.633 -19.918 1.00 43.21 H new ATOM 0 HD13 LEU A 82 10.397 9.467 -21.241 1.00 43.21 H new ATOM 0 HD21 LEU A 82 9.212 12.293 -20.932 1.00 52.45 H new ATOM 0 HD22 LEU A 82 8.226 10.825 -21.128 1.00 52.45 H new ATOM 0 HD23 LEU A 82 7.962 11.894 -19.730 1.00 52.45 H new ATOM 1307 N MET A 83 9.400 6.870 -20.433 1.00 65.13 N ATOM 1308 CA MET A 83 10.116 6.062 -21.415 1.00 12.55 C ATOM 1309 C MET A 83 9.160 5.517 -22.471 1.00 11.41 C ATOM 1310 O MET A 83 9.375 5.698 -23.669 1.00 51.35 O ATOM 1311 CB MET A 83 10.843 4.907 -20.723 1.00 41.45 C ATOM 1312 CG MET A 83 12.049 5.349 -19.910 1.00 20.50 C ATOM 1313 SD MET A 83 12.199 4.456 -18.351 1.00 21.14 S ATOM 1314 CE MET A 83 11.850 2.782 -18.884 1.00 25.12 C ATOM 0 H MET A 83 9.447 6.513 -19.479 1.00 65.13 H new ATOM 0 HA MET A 83 10.849 6.700 -21.909 1.00 12.55 H new ATOM 0 HB2 MET A 83 10.143 4.389 -20.067 1.00 41.45 H new ATOM 0 HB3 MET A 83 11.166 4.188 -21.476 1.00 41.45 H new ATOM 0 HG2 MET A 83 12.954 5.199 -20.499 1.00 20.50 H new ATOM 0 HG3 MET A 83 11.974 6.417 -19.707 1.00 20.50 H new ATOM 0 HE1 MET A 83 12.388 2.078 -18.249 1.00 25.12 H new ATOM 0 HE2 MET A 83 10.779 2.592 -18.810 1.00 25.12 H new ATOM 0 HE3 MET A 83 12.170 2.655 -19.918 1.00 25.12 H new ATOM 1324 N VAL A 84 8.104 4.849 -22.018 1.00 54.15 N ATOM 1325 CA VAL A 84 7.114 4.278 -22.925 1.00 4.42 C ATOM 1326 C VAL A 84 6.524 5.347 -23.838 1.00 3.22 C ATOM 1327 O VAL A 84 6.241 5.092 -25.007 1.00 63.54 O ATOM 1328 CB VAL A 84 5.973 3.593 -22.150 1.00 51.14 C ATOM 1329 CG1 VAL A 84 5.303 4.578 -21.204 1.00 61.31 C ATOM 1330 CG2 VAL A 84 4.960 2.994 -23.114 1.00 50.35 C ATOM 0 H VAL A 84 7.912 4.690 -21.029 1.00 54.15 H new ATOM 0 HA VAL A 84 7.631 3.533 -23.530 1.00 4.42 H new ATOM 0 HB VAL A 84 6.396 2.784 -21.554 1.00 51.14 H new ATOM 0 HG11 VAL A 84 4.499 4.076 -20.665 1.00 61.31 H new ATOM 0 HG12 VAL A 84 6.037 4.955 -20.492 1.00 61.31 H new ATOM 0 HG13 VAL A 84 4.892 5.410 -21.776 1.00 61.31 H new ATOM 0 HG21 VAL A 84 4.161 2.514 -22.550 1.00 50.35 H new ATOM 0 HG22 VAL A 84 4.540 3.783 -23.738 1.00 50.35 H new ATOM 0 HG23 VAL A 84 5.452 2.255 -23.746 1.00 50.35 H new ATOM 1340 N ASN A 85 6.342 6.547 -23.295 1.00 32.52 N ATOM 1341 CA ASN A 85 5.785 7.656 -24.061 1.00 31.42 C ATOM 1342 C ASN A 85 6.653 7.968 -25.276 1.00 21.50 C ATOM 1343 O ASN A 85 6.169 7.996 -26.406 1.00 53.34 O ATOM 1344 CB ASN A 85 5.658 8.899 -23.178 1.00 54.03 C ATOM 1345 CG ASN A 85 4.313 8.978 -22.481 1.00 62.11 C ATOM 1346 OD1 ASN A 85 4.322 9.417 -21.228 1.00 24.41 O flip ATOM 1347 ND2 ASN A 85 3.279 8.649 -23.063 1.00 32.43 N flip ATOM 0 H ASN A 85 6.572 6.776 -22.328 1.00 32.52 H new ATOM 0 HA ASN A 85 4.795 7.363 -24.410 1.00 31.42 H new ATOM 0 HB2 ASN A 85 6.452 8.893 -22.431 1.00 54.03 H new ATOM 0 HB3 ASN A 85 5.801 9.791 -23.788 1.00 54.03 H new ATOM 0 HD21 ASN A 85 3.320 8.317 -24.027 1.00 32.43 H new ATOM 0 HD22 ASN A 85 2.382 8.708 -22.581 1.00 32.43 H new ATOM 1354 N ASN A 86 7.939 8.200 -25.034 1.00 21.13 N ATOM 1355 CA ASN A 86 8.875 8.510 -26.108 1.00 65.41 C ATOM 1356 C ASN A 86 9.194 7.263 -26.928 1.00 51.23 C ATOM 1357 O ASN A 86 9.670 7.358 -28.060 1.00 75.55 O ATOM 1358 CB ASN A 86 10.165 9.099 -25.534 1.00 43.53 C ATOM 1359 CG ASN A 86 10.874 10.009 -26.520 1.00 32.42 C ATOM 1360 OD1 ASN A 86 10.239 10.650 -27.357 1.00 14.54 O ATOM 1361 ND2 ASN A 86 12.197 10.067 -26.425 1.00 21.11 N ATOM 0 H ASN A 86 8.357 8.179 -24.104 1.00 21.13 H new ATOM 0 HA ASN A 86 8.407 9.245 -26.763 1.00 65.41 H new ATOM 0 HB2 ASN A 86 9.934 9.659 -24.628 1.00 43.53 H new ATOM 0 HB3 ASN A 86 10.834 8.289 -25.245 1.00 43.53 H new ATOM 0 HD21 ASN A 86 12.728 10.661 -27.062 1.00 21.11 H new ATOM 0 HD22 ASN A 86 12.682 9.518 -25.715 1.00 21.11 H new ATOM 1368 N CYS A 87 8.928 6.097 -26.350 1.00 11.41 N ATOM 1369 CA CYS A 87 9.186 4.831 -27.027 1.00 1.40 C ATOM 1370 C CYS A 87 8.385 4.734 -28.321 1.00 71.31 C ATOM 1371 O CYS A 87 8.951 4.735 -29.415 1.00 1.14 O ATOM 1372 CB CYS A 87 8.840 3.658 -26.109 1.00 10.42 C ATOM 1373 SG CYS A 87 9.630 2.100 -26.573 1.00 23.32 S ATOM 0 H CYS A 87 8.534 6.002 -25.414 1.00 11.41 H new ATOM 0 HA CYS A 87 10.247 4.788 -27.274 1.00 1.40 H new ATOM 0 HB2 CYS A 87 9.130 3.911 -25.089 1.00 10.42 H new ATOM 0 HB3 CYS A 87 7.759 3.518 -26.107 1.00 10.42 H new ATOM 0 HG CYS A 87 9.278 1.169 -25.737 1.00 23.32 H new ATOM 1379 N ILE A 88 7.066 4.647 -28.189 1.00 13.41 N ATOM 1380 CA ILE A 88 6.187 4.548 -29.348 1.00 2.22 C ATOM 1381 C ILE A 88 6.142 5.864 -30.117 1.00 73.14 C ATOM 1382 O ILE A 88 5.957 5.878 -31.335 1.00 72.31 O ATOM 1383 CB ILE A 88 4.755 4.157 -28.937 1.00 64.01 C ATOM 1384 CG1 ILE A 88 4.122 5.266 -28.094 1.00 62.03 C ATOM 1385 CG2 ILE A 88 4.765 2.842 -28.172 1.00 15.24 C ATOM 1386 CD1 ILE A 88 3.223 6.189 -28.887 1.00 31.40 C ATOM 0 H ILE A 88 6.582 4.643 -27.291 1.00 13.41 H new ATOM 0 HA ILE A 88 6.597 3.768 -29.990 1.00 2.22 H new ATOM 0 HB ILE A 88 4.156 4.026 -29.838 1.00 64.01 H new ATOM 0 HG12 ILE A 88 3.544 4.814 -27.288 1.00 62.03 H new ATOM 0 HG13 ILE A 88 4.913 5.854 -27.628 1.00 62.03 H new ATOM 0 HG21 ILE A 88 3.746 2.578 -27.888 1.00 15.24 H new ATOM 0 HG22 ILE A 88 5.180 2.057 -28.804 1.00 15.24 H new ATOM 0 HG23 ILE A 88 5.376 2.947 -27.275 1.00 15.24 H new ATOM 0 HD11 ILE A 88 2.809 6.950 -28.226 1.00 31.40 H new ATOM 0 HD12 ILE A 88 3.801 6.669 -29.677 1.00 31.40 H new ATOM 0 HD13 ILE A 88 2.411 5.613 -29.331 1.00 31.40 H new ATOM 1398 N LEU A 89 6.313 6.969 -29.400 1.00 22.32 N ATOM 1399 CA LEU A 89 6.294 8.291 -30.015 1.00 52.31 C ATOM 1400 C LEU A 89 7.512 8.493 -30.911 1.00 74.11 C ATOM 1401 O LEU A 89 7.393 8.546 -32.135 1.00 53.14 O ATOM 1402 CB LEU A 89 6.254 9.376 -28.937 1.00 42.24 C ATOM 1403 CG LEU A 89 6.384 10.818 -29.431 1.00 32.40 C ATOM 1404 CD1 LEU A 89 5.160 11.629 -29.036 1.00 11.21 C ATOM 1405 CD2 LEU A 89 7.650 11.458 -28.882 1.00 25.53 C ATOM 0 H LEU A 89 6.466 6.976 -28.392 1.00 22.32 H new ATOM 0 HA LEU A 89 5.397 8.365 -30.630 1.00 52.31 H new ATOM 0 HB2 LEU A 89 5.315 9.283 -28.391 1.00 42.24 H new ATOM 0 HB3 LEU A 89 7.057 9.183 -28.225 1.00 42.24 H new ATOM 0 HG LEU A 89 6.451 10.805 -30.519 1.00 32.40 H new ATOM 0 HD11 LEU A 89 5.270 12.652 -29.396 1.00 11.21 H new ATOM 0 HD12 LEU A 89 4.269 11.183 -29.478 1.00 11.21 H new ATOM 0 HD13 LEU A 89 5.062 11.635 -27.950 1.00 11.21 H new ATOM 0 HD21 LEU A 89 7.726 12.483 -29.244 1.00 25.53 H new ATOM 0 HD22 LEU A 89 7.614 11.459 -27.793 1.00 25.53 H new ATOM 0 HD23 LEU A 89 8.519 10.890 -29.216 1.00 25.53 H new ATOM 1417 N PHE A 90 8.683 8.602 -30.293 1.00 51.41 N ATOM 1418 CA PHE A 90 9.923 8.797 -31.035 1.00 25.34 C ATOM 1419 C PHE A 90 10.134 7.674 -32.046 1.00 52.14 C ATOM 1420 O PHE A 90 10.195 7.914 -33.251 1.00 64.24 O ATOM 1421 CB PHE A 90 11.112 8.862 -30.073 1.00 62.35 C ATOM 1422 CG PHE A 90 12.266 9.666 -30.601 1.00 21.33 C ATOM 1423 CD1 PHE A 90 12.852 9.347 -31.816 1.00 13.55 C ATOM 1424 CD2 PHE A 90 12.765 10.740 -29.882 1.00 31.02 C ATOM 1425 CE1 PHE A 90 13.914 10.085 -32.302 1.00 41.34 C ATOM 1426 CE2 PHE A 90 13.827 11.482 -30.364 1.00 30.21 C ATOM 1427 CZ PHE A 90 14.402 11.154 -31.576 1.00 55.44 C ATOM 0 H PHE A 90 8.799 8.559 -29.281 1.00 51.41 H new ATOM 0 HA PHE A 90 9.849 9.740 -31.576 1.00 25.34 H new ATOM 0 HB2 PHE A 90 10.781 9.293 -29.128 1.00 62.35 H new ATOM 0 HB3 PHE A 90 11.453 7.849 -29.860 1.00 62.35 H new ATOM 0 HD1 PHE A 90 12.474 8.513 -32.389 1.00 13.55 H new ATOM 0 HD2 PHE A 90 12.319 11.001 -28.934 1.00 31.02 H new ATOM 0 HE1 PHE A 90 14.363 9.826 -33.250 1.00 41.34 H new ATOM 0 HE2 PHE A 90 14.206 12.317 -29.794 1.00 30.21 H new ATOM 0 HZ PHE A 90 15.232 11.732 -31.955 1.00 55.44 H new ATOM 1437 N ASN A 91 10.244 6.448 -31.546 1.00 71.32 N ATOM 1438 CA ASN A 91 10.449 5.287 -32.405 1.00 54.25 C ATOM 1439 C ASN A 91 10.560 4.010 -31.578 1.00 10.41 C ATOM 1440 O ASN A 91 11.572 3.771 -30.920 1.00 74.42 O ATOM 1441 CB ASN A 91 11.709 5.470 -33.253 1.00 41.43 C ATOM 1442 CG ASN A 91 11.441 5.288 -34.735 1.00 11.03 C ATOM 1443 OD1 ASN A 91 11.815 6.129 -35.553 1.00 31.34 O ATOM 1444 ND2 ASN A 91 10.790 4.186 -35.087 1.00 34.44 N ATOM 0 H ASN A 91 10.195 6.232 -30.550 1.00 71.32 H new ATOM 0 HA ASN A 91 9.585 5.197 -33.064 1.00 54.25 H new ATOM 0 HB2 ASN A 91 12.118 6.465 -33.080 1.00 41.43 H new ATOM 0 HB3 ASN A 91 12.466 4.754 -32.933 1.00 41.43 H new ATOM 0 HD21 ASN A 91 10.581 4.009 -36.070 1.00 34.44 H new ATOM 0 HD22 ASN A 91 10.499 3.516 -34.375 1.00 34.44 H new ATOM 1451 N GLY A 92 9.512 3.193 -31.617 1.00 12.15 N ATOM 1452 CA GLY A 92 9.512 1.951 -30.867 1.00 30.53 C ATOM 1453 C GLY A 92 8.531 0.937 -31.423 1.00 43.52 C ATOM 1454 O GLY A 92 8.931 -0.047 -32.044 1.00 30.34 O ATOM 0 H GLY A 92 8.663 3.369 -32.155 1.00 12.15 H new ATOM 0 HA2 GLY A 92 10.515 1.524 -30.877 1.00 30.53 H new ATOM 0 HA3 GLY A 92 9.264 2.159 -29.826 1.00 30.53 H new ATOM 1458 N ALA A 93 7.244 1.178 -31.200 1.00 15.23 N ATOM 1459 CA ALA A 93 6.203 0.279 -31.684 1.00 1.44 C ATOM 1460 C ALA A 93 5.608 0.783 -32.994 1.00 43.22 C ATOM 1461 O ALA A 93 5.750 0.144 -34.036 1.00 40.22 O ATOM 1462 CB ALA A 93 5.113 0.120 -30.634 1.00 23.01 C ATOM 0 H ALA A 93 6.897 1.988 -30.687 1.00 15.23 H new ATOM 0 HA ALA A 93 6.656 -0.694 -31.872 1.00 1.44 H new ATOM 0 HB1 ALA A 93 4.342 -0.554 -31.009 1.00 23.01 H new ATOM 0 HB2 ALA A 93 5.544 -0.293 -29.722 1.00 23.01 H new ATOM 0 HB3 ALA A 93 4.671 1.093 -30.418 1.00 23.01 H new ATOM 1468 N GLU A 94 4.942 1.932 -32.934 1.00 20.15 N ATOM 1469 CA GLU A 94 4.325 2.520 -34.117 1.00 34.53 C ATOM 1470 C GLU A 94 3.341 1.545 -34.758 1.00 13.03 C ATOM 1471 O GLU A 94 3.027 1.652 -35.942 1.00 52.14 O ATOM 1472 CB GLU A 94 5.396 2.921 -35.132 1.00 42.23 C ATOM 1473 CG GLU A 94 5.126 4.256 -35.807 1.00 33.50 C ATOM 1474 CD GLU A 94 4.229 4.123 -37.023 1.00 11.45 C ATOM 1475 OE1 GLU A 94 4.760 3.904 -38.131 1.00 72.51 O ATOM 1476 OE2 GLU A 94 2.995 4.240 -36.864 1.00 65.35 O ATOM 0 H GLU A 94 4.816 2.474 -32.079 1.00 20.15 H new ATOM 0 HA GLU A 94 3.778 3.410 -33.806 1.00 34.53 H new ATOM 0 HB2 GLU A 94 6.362 2.966 -34.629 1.00 42.23 H new ATOM 0 HB3 GLU A 94 5.470 2.146 -35.895 1.00 42.23 H new ATOM 0 HG2 GLU A 94 4.663 4.934 -35.091 1.00 33.50 H new ATOM 0 HG3 GLU A 94 6.073 4.706 -36.106 1.00 33.50 H new ATOM 1483 N GLY A 95 2.858 0.593 -33.965 1.00 14.34 N ATOM 1484 CA GLY A 95 1.915 -0.387 -34.471 1.00 62.14 C ATOM 1485 C GLY A 95 1.724 -1.552 -33.521 1.00 74.41 C ATOM 1486 O GLY A 95 0.675 -2.196 -33.521 1.00 14.21 O ATOM 0 H GLY A 95 3.103 0.483 -32.981 1.00 14.34 H new ATOM 0 HA2 GLY A 95 0.954 0.096 -34.647 1.00 62.14 H new ATOM 0 HA3 GLY A 95 2.265 -0.761 -35.433 1.00 62.14 H new ATOM 1490 N ALA A 96 2.740 -1.826 -32.710 1.00 44.11 N ATOM 1491 CA ALA A 96 2.679 -2.921 -31.751 1.00 32.44 C ATOM 1492 C ALA A 96 2.907 -2.419 -30.329 1.00 24.41 C ATOM 1493 O ALA A 96 3.834 -2.858 -29.647 1.00 33.23 O ATOM 1494 CB ALA A 96 3.701 -3.992 -32.105 1.00 54.42 C ATOM 0 H ALA A 96 3.616 -1.304 -32.698 1.00 44.11 H new ATOM 0 HA ALA A 96 1.681 -3.357 -31.799 1.00 32.44 H new ATOM 0 HB1 ALA A 96 3.644 -4.804 -31.380 1.00 54.42 H new ATOM 0 HB2 ALA A 96 3.491 -4.380 -33.102 1.00 54.42 H new ATOM 0 HB3 ALA A 96 4.702 -3.560 -32.088 1.00 54.42 H new ATOM 1500 N TYR A 97 2.058 -1.498 -29.889 1.00 5.55 N ATOM 1501 CA TYR A 97 2.170 -0.934 -28.549 1.00 2.54 C ATOM 1502 C TYR A 97 2.240 -2.037 -27.497 1.00 44.22 C ATOM 1503 O TYR A 97 2.844 -1.864 -26.439 1.00 41.40 O ATOM 1504 CB TYR A 97 0.983 -0.013 -28.259 1.00 43.15 C ATOM 1505 CG TYR A 97 -0.359 -0.693 -28.402 1.00 75.15 C ATOM 1506 CD1 TYR A 97 -0.900 -1.433 -27.359 1.00 33.35 C ATOM 1507 CD2 TYR A 97 -1.088 -0.594 -29.582 1.00 21.53 C ATOM 1508 CE1 TYR A 97 -2.126 -2.057 -27.485 1.00 53.03 C ATOM 1509 CE2 TYR A 97 -2.316 -1.214 -29.717 1.00 5.42 C ATOM 1510 CZ TYR A 97 -2.830 -1.944 -28.666 1.00 72.01 C ATOM 1511 OH TYR A 97 -4.053 -2.563 -28.796 1.00 4.42 O ATOM 0 H TYR A 97 1.285 -1.126 -30.440 1.00 5.55 H new ATOM 0 HA TYR A 97 3.092 -0.354 -28.503 1.00 2.54 H new ATOM 0 HB2 TYR A 97 1.077 0.378 -27.246 1.00 43.15 H new ATOM 0 HB3 TYR A 97 1.022 0.841 -28.936 1.00 43.15 H new ATOM 0 HD1 TYR A 97 -0.352 -1.522 -26.432 1.00 33.35 H new ATOM 0 HD2 TYR A 97 -0.688 -0.023 -30.407 1.00 21.53 H new ATOM 0 HE1 TYR A 97 -2.531 -2.630 -26.664 1.00 53.03 H new ATOM 0 HE2 TYR A 97 -2.870 -1.127 -30.640 1.00 5.42 H new ATOM 0 HH TYR A 97 -4.417 -2.384 -29.688 1.00 4.42 H new ATOM 1521 N ALA A 98 1.618 -3.172 -27.798 1.00 64.10 N ATOM 1522 CA ALA A 98 1.612 -4.306 -26.881 1.00 53.55 C ATOM 1523 C ALA A 98 3.031 -4.707 -26.494 1.00 0.51 C ATOM 1524 O ALA A 98 3.256 -5.270 -25.423 1.00 24.40 O ATOM 1525 CB ALA A 98 0.880 -5.485 -27.505 1.00 51.55 C ATOM 0 H ALA A 98 1.112 -3.331 -28.669 1.00 64.10 H new ATOM 0 HA ALA A 98 1.088 -4.005 -25.974 1.00 53.55 H new ATOM 0 HB1 ALA A 98 0.883 -6.324 -26.810 1.00 51.55 H new ATOM 0 HB2 ALA A 98 -0.149 -5.200 -27.725 1.00 51.55 H new ATOM 0 HB3 ALA A 98 1.381 -5.777 -28.428 1.00 51.55 H new ATOM 1531 N ASP A 99 3.984 -4.413 -27.371 1.00 41.24 N ATOM 1532 CA ASP A 99 5.382 -4.743 -27.121 1.00 3.44 C ATOM 1533 C ASP A 99 5.922 -3.952 -25.933 1.00 24.44 C ATOM 1534 O ASP A 99 6.700 -4.471 -25.132 1.00 1.50 O ATOM 1535 CB ASP A 99 6.226 -4.459 -28.364 1.00 5.40 C ATOM 1536 CG ASP A 99 5.956 -5.443 -29.485 1.00 14.12 C ATOM 1537 OD1 ASP A 99 5.538 -6.582 -29.187 1.00 1.23 O ATOM 1538 OD2 ASP A 99 6.160 -5.074 -30.660 1.00 23.20 O ATOM 0 H ASP A 99 3.814 -3.946 -28.262 1.00 41.24 H new ATOM 0 HA ASP A 99 5.443 -5.806 -26.886 1.00 3.44 H new ATOM 0 HB2 ASP A 99 6.021 -3.448 -28.715 1.00 5.40 H new ATOM 0 HB3 ASP A 99 7.282 -4.496 -28.098 1.00 5.40 H new ATOM 1543 N ALA A 100 5.505 -2.695 -25.826 1.00 21.11 N ATOM 1544 CA ALA A 100 5.946 -1.834 -24.736 1.00 1.13 C ATOM 1545 C ALA A 100 5.157 -2.114 -23.461 1.00 63.31 C ATOM 1546 O ALA A 100 5.627 -1.842 -22.357 1.00 22.53 O ATOM 1547 CB ALA A 100 5.811 -0.371 -25.131 1.00 50.12 C ATOM 0 H ALA A 100 4.862 -2.250 -26.481 1.00 21.11 H new ATOM 0 HA ALA A 100 6.996 -2.050 -24.538 1.00 1.13 H new ATOM 0 HB1 ALA A 100 6.144 0.260 -24.307 1.00 50.12 H new ATOM 0 HB2 ALA A 100 6.424 -0.174 -26.010 1.00 50.12 H new ATOM 0 HB3 ALA A 100 4.768 -0.150 -25.359 1.00 50.12 H new ATOM 1553 N ALA A 101 3.956 -2.659 -23.622 1.00 52.11 N ATOM 1554 CA ALA A 101 3.103 -2.977 -22.484 1.00 34.11 C ATOM 1555 C ALA A 101 3.656 -4.161 -21.697 1.00 54.42 C ATOM 1556 O ALA A 101 3.469 -4.253 -20.484 1.00 4.23 O ATOM 1557 CB ALA A 101 1.685 -3.269 -22.952 1.00 54.45 C ATOM 0 H ALA A 101 3.552 -2.890 -24.530 1.00 52.11 H new ATOM 0 HA ALA A 101 3.085 -2.111 -21.823 1.00 34.11 H new ATOM 0 HB1 ALA A 101 1.059 -3.505 -22.091 1.00 54.45 H new ATOM 0 HB2 ALA A 101 1.283 -2.394 -23.464 1.00 54.45 H new ATOM 0 HB3 ALA A 101 1.695 -4.117 -23.637 1.00 54.45 H new ATOM 1563 N ARG A 102 4.335 -5.064 -22.396 1.00 4.11 N ATOM 1564 CA ARG A 102 4.914 -6.243 -21.762 1.00 53.33 C ATOM 1565 C ARG A 102 5.894 -5.844 -20.663 1.00 52.51 C ATOM 1566 O ARG A 102 5.794 -6.309 -19.527 1.00 51.03 O ATOM 1567 CB ARG A 102 5.624 -7.111 -22.803 1.00 13.41 C ATOM 1568 CG ARG A 102 5.570 -8.598 -22.495 1.00 13.03 C ATOM 1569 CD ARG A 102 6.903 -9.107 -21.968 1.00 54.43 C ATOM 1570 NE ARG A 102 7.901 -9.224 -23.028 1.00 12.11 N ATOM 1571 CZ ARG A 102 9.171 -9.546 -22.809 1.00 12.22 C ATOM 1572 NH1 ARG A 102 9.595 -9.782 -21.575 1.00 10.31 N ATOM 1573 NH2 ARG A 102 10.019 -9.633 -23.825 1.00 43.22 N ATOM 0 H ARG A 102 4.498 -5.002 -23.401 1.00 4.11 H new ATOM 0 HA ARG A 102 4.104 -6.817 -21.311 1.00 53.33 H new ATOM 0 HB2 ARG A 102 5.173 -6.934 -23.779 1.00 13.41 H new ATOM 0 HB3 ARG A 102 6.667 -6.801 -22.872 1.00 13.41 H new ATOM 0 HG2 ARG A 102 4.789 -8.790 -21.759 1.00 13.03 H new ATOM 0 HG3 ARG A 102 5.300 -9.148 -23.397 1.00 13.03 H new ATOM 0 HD2 ARG A 102 7.271 -8.430 -21.197 1.00 54.43 H new ATOM 0 HD3 ARG A 102 6.759 -10.079 -21.496 1.00 54.43 H new ATOM 0 HE ARG A 102 7.607 -9.049 -23.989 1.00 12.11 H new ATOM 0 HH11 ARG A 102 8.945 -9.716 -20.791 1.00 10.31 H new ATOM 0 HH12 ARG A 102 10.571 -10.029 -21.409 1.00 10.31 H new ATOM 0 HH21 ARG A 102 9.696 -9.453 -24.776 1.00 43.22 H new ATOM 0 HH22 ARG A 102 10.994 -9.880 -23.656 1.00 43.22 H new ATOM 1587 N THR A 103 6.842 -4.978 -21.008 1.00 63.34 N ATOM 1588 CA THR A 103 7.841 -4.518 -20.053 1.00 4.43 C ATOM 1589 C THR A 103 7.209 -3.647 -18.973 1.00 41.31 C ATOM 1590 O THR A 103 7.675 -3.617 -17.834 1.00 11.22 O ATOM 1591 CB THR A 103 8.960 -3.720 -20.750 1.00 20.34 C ATOM 1592 OG1 THR A 103 9.952 -3.331 -19.794 1.00 5.32 O ATOM 1593 CG2 THR A 103 8.397 -2.485 -21.436 1.00 0.11 C ATOM 0 H THR A 103 6.938 -4.581 -21.943 1.00 63.34 H new ATOM 0 HA THR A 103 8.272 -5.408 -19.593 1.00 4.43 H new ATOM 0 HB THR A 103 9.416 -4.359 -21.506 1.00 20.34 H new ATOM 0 HG1 THR A 103 10.660 -2.826 -20.245 1.00 5.32 H new ATOM 0 HG21 THR A 103 9.205 -1.938 -21.921 1.00 0.11 H new ATOM 0 HG22 THR A 103 7.663 -2.787 -22.184 1.00 0.11 H new ATOM 0 HG23 THR A 103 7.918 -1.844 -20.696 1.00 0.11 H new ATOM 1601 N PHE A 104 6.145 -2.939 -19.338 1.00 61.21 N ATOM 1602 CA PHE A 104 5.449 -2.067 -18.400 1.00 14.31 C ATOM 1603 C PHE A 104 4.910 -2.862 -17.215 1.00 32.44 C ATOM 1604 O PHE A 104 5.131 -2.500 -16.060 1.00 34.24 O ATOM 1605 CB PHE A 104 4.302 -1.338 -19.103 1.00 74.24 C ATOM 1606 CG PHE A 104 3.546 -0.402 -18.205 1.00 13.42 C ATOM 1607 CD1 PHE A 104 2.465 -0.852 -17.465 1.00 34.15 C ATOM 1608 CD2 PHE A 104 3.916 0.930 -18.101 1.00 20.51 C ATOM 1609 CE1 PHE A 104 1.767 0.007 -16.636 1.00 41.04 C ATOM 1610 CE2 PHE A 104 3.223 1.793 -17.274 1.00 54.11 C ATOM 1611 CZ PHE A 104 2.146 1.332 -16.542 1.00 21.30 C ATOM 0 H PHE A 104 5.746 -2.952 -20.277 1.00 61.21 H new ATOM 0 HA PHE A 104 6.163 -1.333 -18.028 1.00 14.31 H new ATOM 0 HB2 PHE A 104 4.703 -0.775 -19.946 1.00 74.24 H new ATOM 0 HB3 PHE A 104 3.610 -2.075 -19.511 1.00 74.24 H new ATOM 0 HD1 PHE A 104 2.164 -1.887 -17.536 1.00 34.15 H new ATOM 0 HD2 PHE A 104 4.755 1.297 -18.673 1.00 20.51 H new ATOM 0 HE1 PHE A 104 0.927 -0.357 -16.063 1.00 41.04 H new ATOM 0 HE2 PHE A 104 3.523 2.828 -17.200 1.00 54.11 H new ATOM 0 HZ PHE A 104 1.601 2.006 -15.898 1.00 21.30 H new ATOM 1621 N GLU A 105 4.202 -3.948 -17.511 1.00 13.21 N ATOM 1622 CA GLU A 105 3.630 -4.794 -16.470 1.00 1.22 C ATOM 1623 C GLU A 105 4.724 -5.371 -15.577 1.00 22.55 C ATOM 1624 O GLU A 105 4.596 -5.392 -14.352 1.00 71.22 O ATOM 1625 CB GLU A 105 2.814 -5.928 -17.094 1.00 44.10 C ATOM 1626 CG GLU A 105 1.375 -5.547 -17.396 1.00 72.24 C ATOM 1627 CD GLU A 105 0.803 -6.315 -18.572 1.00 72.40 C ATOM 1628 OE1 GLU A 105 0.324 -7.450 -18.362 1.00 44.23 O ATOM 1629 OE2 GLU A 105 0.834 -5.783 -19.701 1.00 13.10 O ATOM 0 H GLU A 105 4.011 -4.262 -18.462 1.00 13.21 H new ATOM 0 HA GLU A 105 2.972 -4.178 -15.857 1.00 1.22 H new ATOM 0 HB2 GLU A 105 3.298 -6.247 -18.017 1.00 44.10 H new ATOM 0 HB3 GLU A 105 2.820 -6.783 -16.418 1.00 44.10 H new ATOM 0 HG2 GLU A 105 0.762 -5.731 -16.514 1.00 72.24 H new ATOM 0 HG3 GLU A 105 1.322 -4.478 -17.604 1.00 72.24 H new ATOM 1636 N LYS A 106 5.801 -5.841 -16.198 1.00 13.30 N ATOM 1637 CA LYS A 106 6.919 -6.419 -15.462 1.00 12.43 C ATOM 1638 C LYS A 106 7.398 -5.470 -14.367 1.00 71.14 C ATOM 1639 O LYS A 106 7.570 -5.871 -13.216 1.00 65.22 O ATOM 1640 CB LYS A 106 8.072 -6.739 -16.415 1.00 25.23 C ATOM 1641 CG LYS A 106 9.028 -7.792 -15.880 1.00 44.42 C ATOM 1642 CD LYS A 106 8.517 -9.197 -16.148 1.00 60.14 C ATOM 1643 CE LYS A 106 9.637 -10.120 -16.606 1.00 15.35 C ATOM 1644 NZ LYS A 106 10.256 -10.848 -15.464 1.00 33.31 N ATOM 0 H LYS A 106 5.923 -5.833 -17.211 1.00 13.30 H new ATOM 0 HA LYS A 106 6.576 -7.342 -14.994 1.00 12.43 H new ATOM 0 HB2 LYS A 106 7.663 -7.081 -17.365 1.00 25.23 H new ATOM 0 HB3 LYS A 106 8.629 -5.824 -16.619 1.00 25.23 H new ATOM 0 HG2 LYS A 106 10.006 -7.665 -16.343 1.00 44.42 H new ATOM 0 HG3 LYS A 106 9.162 -7.651 -14.808 1.00 44.42 H new ATOM 0 HD2 LYS A 106 8.061 -9.598 -15.243 1.00 60.14 H new ATOM 0 HD3 LYS A 106 7.738 -9.163 -16.910 1.00 60.14 H new ATOM 0 HE2 LYS A 106 9.244 -10.839 -17.325 1.00 15.35 H new ATOM 0 HE3 LYS A 106 10.400 -9.537 -17.122 1.00 15.35 H new ATOM 0 HZ1 LYS A 106 11.014 -11.466 -15.817 1.00 33.31 H new ATOM 0 HZ2 LYS A 106 10.653 -10.163 -14.790 1.00 33.31 H new ATOM 0 HZ3 LYS A 106 9.533 -11.424 -14.987 1.00 33.31 H new ATOM 1658 N PHE A 107 7.610 -4.210 -14.734 1.00 31.44 N ATOM 1659 CA PHE A 107 8.069 -3.205 -13.783 1.00 14.44 C ATOM 1660 C PHE A 107 7.142 -3.138 -12.572 1.00 70.11 C ATOM 1661 O PHE A 107 7.596 -3.136 -11.429 1.00 25.25 O ATOM 1662 CB PHE A 107 8.146 -1.833 -14.456 1.00 52.10 C ATOM 1663 CG PHE A 107 9.532 -1.459 -14.898 1.00 32.11 C ATOM 1664 CD1 PHE A 107 10.102 -2.055 -16.011 1.00 44.42 C ATOM 1665 CD2 PHE A 107 10.264 -0.513 -14.200 1.00 1.43 C ATOM 1666 CE1 PHE A 107 11.378 -1.713 -16.421 1.00 15.32 C ATOM 1667 CE2 PHE A 107 11.539 -0.166 -14.605 1.00 23.42 C ATOM 1668 CZ PHE A 107 12.097 -0.768 -15.716 1.00 22.01 C ATOM 0 H PHE A 107 7.471 -3.861 -15.682 1.00 31.44 H new ATOM 0 HA PHE A 107 9.064 -3.492 -13.442 1.00 14.44 H new ATOM 0 HB2 PHE A 107 7.483 -1.824 -15.321 1.00 52.10 H new ATOM 0 HB3 PHE A 107 7.778 -1.076 -13.763 1.00 52.10 H new ATOM 0 HD1 PHE A 107 9.544 -2.795 -16.565 1.00 44.42 H new ATOM 0 HD2 PHE A 107 9.834 -0.041 -13.329 1.00 1.43 H new ATOM 0 HE1 PHE A 107 11.811 -2.184 -17.291 1.00 15.32 H new ATOM 0 HE2 PHE A 107 12.098 0.575 -14.053 1.00 23.42 H new ATOM 0 HZ PHE A 107 13.094 -0.500 -16.033 1.00 22.01 H new ATOM 1678 N ALA A 108 5.840 -3.083 -12.833 1.00 41.14 N ATOM 1679 CA ALA A 108 4.849 -3.018 -11.767 1.00 11.43 C ATOM 1680 C ALA A 108 5.067 -4.129 -10.746 1.00 31.40 C ATOM 1681 O ALA A 108 5.002 -3.898 -9.539 1.00 50.01 O ATOM 1682 CB ALA A 108 3.444 -3.098 -12.346 1.00 22.12 C ATOM 0 H ALA A 108 5.447 -3.082 -13.774 1.00 41.14 H new ATOM 0 HA ALA A 108 4.965 -2.063 -11.255 1.00 11.43 H new ATOM 0 HB1 ALA A 108 2.714 -3.048 -11.538 1.00 22.12 H new ATOM 0 HB2 ALA A 108 3.285 -2.265 -13.031 1.00 22.12 H new ATOM 0 HB3 ALA A 108 3.325 -4.038 -12.885 1.00 22.12 H new ATOM 1688 N MET A 109 5.325 -5.336 -11.239 1.00 32.43 N ATOM 1689 CA MET A 109 5.553 -6.484 -10.368 1.00 73.02 C ATOM 1690 C MET A 109 6.742 -6.238 -9.445 1.00 35.24 C ATOM 1691 O MET A 109 6.735 -6.650 -8.285 1.00 71.24 O ATOM 1692 CB MET A 109 5.792 -7.744 -11.202 1.00 71.21 C ATOM 1693 CG MET A 109 5.710 -9.031 -10.396 1.00 41.44 C ATOM 1694 SD MET A 109 4.895 -10.363 -11.296 1.00 75.25 S ATOM 1695 CE MET A 109 3.714 -10.926 -10.072 1.00 42.24 C ATOM 0 H MET A 109 5.381 -5.545 -12.236 1.00 32.43 H new ATOM 0 HA MET A 109 4.663 -6.626 -9.755 1.00 73.02 H new ATOM 0 HB2 MET A 109 5.058 -7.782 -12.007 1.00 71.21 H new ATOM 0 HB3 MET A 109 6.775 -7.680 -11.669 1.00 71.21 H new ATOM 0 HG2 MET A 109 6.716 -9.347 -10.120 1.00 41.44 H new ATOM 0 HG3 MET A 109 5.170 -8.841 -9.469 1.00 41.44 H new ATOM 0 HE1 MET A 109 3.131 -11.751 -10.481 1.00 42.24 H new ATOM 0 HE2 MET A 109 4.245 -11.263 -9.182 1.00 42.24 H new ATOM 0 HE3 MET A 109 3.046 -10.107 -9.807 1.00 42.24 H new ATOM 1705 N GLY A 110 7.762 -5.564 -9.967 1.00 13.13 N ATOM 1706 CA GLY A 110 8.943 -5.276 -9.175 1.00 3.41 C ATOM 1707 C GLY A 110 8.660 -4.312 -8.040 1.00 35.13 C ATOM 1708 O GLY A 110 9.085 -4.534 -6.906 1.00 34.03 O ATOM 0 H GLY A 110 7.791 -5.212 -10.924 1.00 13.13 H new ATOM 0 HA2 GLY A 110 9.339 -6.206 -8.767 1.00 3.41 H new ATOM 0 HA3 GLY A 110 9.715 -4.857 -9.820 1.00 3.41 H new ATOM 1712 N LYS A 111 7.940 -3.237 -8.344 1.00 21.31 N ATOM 1713 CA LYS A 111 7.600 -2.235 -7.341 1.00 53.12 C ATOM 1714 C LYS A 111 6.964 -2.885 -6.116 1.00 50.43 C ATOM 1715 O LYS A 111 7.296 -2.545 -4.980 1.00 33.40 O ATOM 1716 CB LYS A 111 6.646 -1.195 -7.933 1.00 75.11 C ATOM 1717 CG LYS A 111 6.616 0.113 -7.161 1.00 62.32 C ATOM 1718 CD LYS A 111 5.195 0.528 -6.822 1.00 34.04 C ATOM 1719 CE LYS A 111 4.694 -0.172 -5.567 1.00 41.32 C ATOM 1720 NZ LYS A 111 3.213 -0.331 -5.574 1.00 45.41 N ATOM 0 H LYS A 111 7.581 -3.038 -9.278 1.00 21.31 H new ATOM 0 HA LYS A 111 8.520 -1.740 -7.031 1.00 53.12 H new ATOM 0 HB2 LYS A 111 6.937 -0.992 -8.964 1.00 75.11 H new ATOM 0 HB3 LYS A 111 5.640 -1.613 -7.963 1.00 75.11 H new ATOM 0 HG2 LYS A 111 7.194 0.008 -6.243 1.00 62.32 H new ATOM 0 HG3 LYS A 111 7.094 0.896 -7.751 1.00 62.32 H new ATOM 0 HD2 LYS A 111 5.155 1.608 -6.678 1.00 34.04 H new ATOM 0 HD3 LYS A 111 4.537 0.293 -7.658 1.00 34.04 H new ATOM 0 HE2 LYS A 111 5.164 -1.152 -5.486 1.00 41.32 H new ATOM 0 HE3 LYS A 111 4.994 0.399 -4.688 1.00 41.32 H new ATOM 0 HZ1 LYS A 111 2.956 -1.213 -5.086 1.00 45.41 H new ATOM 0 HZ2 LYS A 111 2.775 0.475 -5.085 1.00 45.41 H new ATOM 0 HZ3 LYS A 111 2.872 -0.367 -6.556 1.00 45.41 H new ATOM 1734 N ILE A 112 6.051 -3.820 -6.355 1.00 60.02 N ATOM 1735 CA ILE A 112 5.372 -4.518 -5.271 1.00 32.30 C ATOM 1736 C ILE A 112 6.363 -5.298 -4.413 1.00 73.14 C ATOM 1737 O ILE A 112 6.292 -5.271 -3.185 1.00 14.04 O ATOM 1738 CB ILE A 112 4.302 -5.487 -5.808 1.00 52.04 C ATOM 1739 CG1 ILE A 112 3.282 -4.732 -6.664 1.00 3.24 C ATOM 1740 CG2 ILE A 112 3.610 -6.203 -4.658 1.00 53.20 C ATOM 1741 CD1 ILE A 112 2.330 -5.639 -7.411 1.00 21.13 C ATOM 0 H ILE A 112 5.765 -4.112 -7.290 1.00 60.02 H new ATOM 0 HA ILE A 112 4.887 -3.756 -4.661 1.00 32.30 H new ATOM 0 HB ILE A 112 4.791 -6.234 -6.433 1.00 52.04 H new ATOM 0 HG12 ILE A 112 2.707 -4.063 -6.024 1.00 3.24 H new ATOM 0 HG13 ILE A 112 3.814 -4.107 -7.381 1.00 3.24 H new ATOM 0 HG21 ILE A 112 2.857 -6.884 -5.054 1.00 53.20 H new ATOM 0 HG22 ILE A 112 4.346 -6.768 -4.086 1.00 53.20 H new ATOM 0 HG23 ILE A 112 3.131 -5.470 -4.009 1.00 53.20 H new ATOM 0 HD11 ILE A 112 1.636 -5.035 -7.996 1.00 21.13 H new ATOM 0 HD12 ILE A 112 2.895 -6.290 -8.077 1.00 21.13 H new ATOM 0 HD13 ILE A 112 1.771 -6.246 -6.699 1.00 21.13 H new ATOM 1753 N ASP A 113 7.287 -5.991 -5.069 1.00 40.14 N ATOM 1754 CA ASP A 113 8.295 -6.776 -4.367 1.00 63.53 C ATOM 1755 C ASP A 113 9.011 -5.930 -3.319 1.00 33.11 C ATOM 1756 O ASP A 113 9.211 -6.366 -2.186 1.00 34.52 O ATOM 1757 CB ASP A 113 9.310 -7.347 -5.359 1.00 41.24 C ATOM 1758 CG ASP A 113 8.702 -8.394 -6.272 1.00 1.21 C ATOM 1759 OD1 ASP A 113 7.959 -9.261 -5.767 1.00 14.51 O ATOM 1760 OD2 ASP A 113 8.971 -8.347 -7.491 1.00 34.12 O ATOM 0 H ASP A 113 7.359 -6.025 -6.086 1.00 40.14 H new ATOM 0 HA ASP A 113 7.790 -7.599 -3.861 1.00 63.53 H new ATOM 0 HB2 ASP A 113 9.719 -6.537 -5.962 1.00 41.24 H new ATOM 0 HB3 ASP A 113 10.142 -7.787 -4.810 1.00 41.24 H new ATOM 1765 N ALA A 114 9.395 -4.718 -3.706 1.00 33.13 N ATOM 1766 CA ALA A 114 10.087 -3.810 -2.799 1.00 71.53 C ATOM 1767 C ALA A 114 9.206 -3.445 -1.610 1.00 14.32 C ATOM 1768 O ALA A 114 9.684 -3.337 -0.480 1.00 72.33 O ATOM 1769 CB ALA A 114 10.524 -2.556 -3.541 1.00 13.44 C ATOM 0 H ALA A 114 9.239 -4.342 -4.641 1.00 33.13 H new ATOM 0 HA ALA A 114 10.972 -4.320 -2.418 1.00 71.53 H new ATOM 0 HB1 ALA A 114 11.039 -1.887 -2.852 1.00 13.44 H new ATOM 0 HB2 ALA A 114 11.198 -2.830 -4.353 1.00 13.44 H new ATOM 0 HB3 ALA A 114 9.649 -2.052 -3.950 1.00 13.44 H new ATOM 1775 N TYR A 115 7.917 -3.254 -1.871 1.00 2.23 N ATOM 1776 CA TYR A 115 6.970 -2.897 -0.822 1.00 14.23 C ATOM 1777 C TYR A 115 7.081 -3.853 0.362 1.00 73.55 C ATOM 1778 O TYR A 115 7.236 -3.427 1.506 1.00 33.02 O ATOM 1779 CB TYR A 115 5.542 -2.909 -1.370 1.00 35.25 C ATOM 1780 CG TYR A 115 4.513 -2.392 -0.390 1.00 14.22 C ATOM 1781 CD1 TYR A 115 4.767 -1.268 0.387 1.00 22.50 C ATOM 1782 CD2 TYR A 115 3.285 -3.026 -0.242 1.00 22.22 C ATOM 1783 CE1 TYR A 115 3.830 -0.793 1.284 1.00 42.01 C ATOM 1784 CE2 TYR A 115 2.342 -2.557 0.651 1.00 13.25 C ATOM 1785 CZ TYR A 115 2.619 -1.440 1.412 1.00 21.34 C ATOM 1786 OH TYR A 115 1.683 -0.969 2.304 1.00 55.14 O ATOM 0 H TYR A 115 7.505 -3.341 -2.800 1.00 2.23 H new ATOM 0 HA TYR A 115 7.211 -1.892 -0.477 1.00 14.23 H new ATOM 0 HB2 TYR A 115 5.504 -2.304 -2.276 1.00 35.25 H new ATOM 0 HB3 TYR A 115 5.280 -3.928 -1.656 1.00 35.25 H new ATOM 0 HD1 TYR A 115 5.713 -0.757 0.288 1.00 22.50 H new ATOM 0 HD2 TYR A 115 3.065 -3.901 -0.836 1.00 22.22 H new ATOM 0 HE1 TYR A 115 4.045 0.080 1.882 1.00 42.01 H new ATOM 0 HE2 TYR A 115 1.393 -3.062 0.753 1.00 13.25 H new ATOM 0 HH TYR A 115 0.885 -1.537 2.271 1.00 55.14 H new ATOM 1796 N ILE A 116 7.001 -5.149 0.076 1.00 11.30 N ATOM 1797 CA ILE A 116 7.094 -6.167 1.115 1.00 1.41 C ATOM 1798 C ILE A 116 8.471 -6.159 1.770 1.00 21.02 C ATOM 1799 O ILE A 116 8.598 -6.381 2.974 1.00 3.23 O ATOM 1800 CB ILE A 116 6.813 -7.573 0.553 1.00 44.44 C ATOM 1801 CG1 ILE A 116 5.446 -7.608 -0.132 1.00 53.14 C ATOM 1802 CG2 ILE A 116 6.883 -8.611 1.663 1.00 52.33 C ATOM 1803 CD1 ILE A 116 5.522 -7.864 -1.621 1.00 41.23 C ATOM 0 H ILE A 116 6.872 -5.518 -0.866 1.00 11.30 H new ATOM 0 HA ILE A 116 6.337 -5.926 1.862 1.00 1.41 H new ATOM 0 HB ILE A 116 7.576 -7.811 -0.188 1.00 44.44 H new ATOM 0 HG12 ILE A 116 4.836 -8.384 0.331 1.00 53.14 H new ATOM 0 HG13 ILE A 116 4.938 -6.659 0.040 1.00 53.14 H new ATOM 0 HG21 ILE A 116 6.682 -9.600 1.250 1.00 52.33 H new ATOM 0 HG22 ILE A 116 7.877 -8.600 2.110 1.00 52.33 H new ATOM 0 HG23 ILE A 116 6.140 -8.379 2.426 1.00 52.33 H new ATOM 0 HD11 ILE A 116 4.516 -7.875 -2.040 1.00 41.23 H new ATOM 0 HD12 ILE A 116 6.104 -7.075 -2.097 1.00 41.23 H new ATOM 0 HD13 ILE A 116 6.001 -8.827 -1.801 1.00 41.23 H new ATOM 1815 N SER A 117 9.500 -5.901 0.969 1.00 10.53 N ATOM 1816 CA SER A 117 10.869 -5.866 1.470 1.00 11.55 C ATOM 1817 C SER A 117 11.029 -4.787 2.537 1.00 4.23 C ATOM 1818 O SER A 117 11.775 -4.959 3.501 1.00 33.23 O ATOM 1819 CB SER A 117 11.848 -5.613 0.323 1.00 64.43 C ATOM 1820 OG SER A 117 12.760 -6.689 0.185 1.00 65.21 O ATOM 0 H SER A 117 9.412 -5.713 -0.030 1.00 10.53 H new ATOM 0 HA SER A 117 11.090 -6.834 1.920 1.00 11.55 H new ATOM 0 HB2 SER A 117 11.296 -5.478 -0.607 1.00 64.43 H new ATOM 0 HB3 SER A 117 12.396 -4.689 0.505 1.00 64.43 H new ATOM 0 HG SER A 117 13.374 -6.504 -0.556 1.00 65.21 H new ATOM 1826 N GLN A 118 10.324 -3.675 2.356 1.00 4.31 N ATOM 1827 CA GLN A 118 10.389 -2.567 3.302 1.00 30.24 C ATOM 1828 C GLN A 118 9.021 -2.300 3.922 1.00 41.24 C ATOM 1829 O GLN A 118 8.332 -1.351 3.546 1.00 62.12 O ATOM 1830 CB GLN A 118 10.903 -1.305 2.608 1.00 3.11 C ATOM 1831 CG GLN A 118 10.150 -0.962 1.333 1.00 12.12 C ATOM 1832 CD GLN A 118 11.063 -0.848 0.128 1.00 11.54 C ATOM 1833 OE1 GLN A 118 10.984 0.115 -0.636 1.00 20.14 O ATOM 1834 NE2 GLN A 118 11.937 -1.832 -0.048 1.00 12.31 N ATOM 0 H GLN A 118 9.702 -3.517 1.564 1.00 4.31 H new ATOM 0 HA GLN A 118 11.081 -2.842 4.098 1.00 30.24 H new ATOM 0 HB2 GLN A 118 10.831 -0.465 3.299 1.00 3.11 H new ATOM 0 HB3 GLN A 118 11.959 -1.435 2.372 1.00 3.11 H new ATOM 0 HG2 GLN A 118 9.398 -1.728 1.143 1.00 12.12 H new ATOM 0 HG3 GLN A 118 9.619 -0.020 1.472 1.00 12.12 H new ATOM 0 HE21 GLN A 118 11.968 -2.611 0.610 1.00 12.31 H new ATOM 0 HE22 GLN A 118 12.578 -1.809 -0.841 1.00 12.31 H new ATOM 1843 N LYS A 119 8.633 -3.143 4.873 1.00 52.54 N ATOM 1844 CA LYS A 119 7.347 -2.998 5.546 1.00 45.23 C ATOM 1845 C LYS A 119 7.534 -2.479 6.968 1.00 35.31 C ATOM 1846 O LYS A 119 6.707 -1.721 7.476 1.00 22.43 O ATOM 1847 CB LYS A 119 6.609 -4.338 5.572 1.00 12.25 C ATOM 1848 CG LYS A 119 7.495 -5.513 5.946 1.00 61.52 C ATOM 1849 CD LYS A 119 6.700 -6.806 6.031 1.00 4.21 C ATOM 1850 CE LYS A 119 6.128 -7.017 7.424 1.00 14.02 C ATOM 1851 NZ LYS A 119 4.676 -7.347 7.383 1.00 40.11 N ATOM 0 H LYS A 119 9.191 -3.934 5.195 1.00 52.54 H new ATOM 0 HA LYS A 119 6.752 -2.274 4.990 1.00 45.23 H new ATOM 0 HB2 LYS A 119 5.784 -4.275 6.282 1.00 12.25 H new ATOM 0 HB3 LYS A 119 6.172 -4.521 4.591 1.00 12.25 H new ATOM 0 HG2 LYS A 119 8.289 -5.621 5.207 1.00 61.52 H new ATOM 0 HG3 LYS A 119 7.976 -5.317 6.904 1.00 61.52 H new ATOM 0 HD2 LYS A 119 5.889 -6.784 5.303 1.00 4.21 H new ATOM 0 HD3 LYS A 119 7.342 -7.647 5.769 1.00 4.21 H new ATOM 0 HE2 LYS A 119 6.670 -7.822 7.921 1.00 14.02 H new ATOM 0 HE3 LYS A 119 6.279 -6.116 8.019 1.00 14.02 H new ATOM 0 HZ1 LYS A 119 4.323 -7.483 8.352 1.00 40.11 H new ATOM 0 HZ2 LYS A 119 4.156 -6.568 6.932 1.00 40.11 H new ATOM 0 HZ3 LYS A 119 4.534 -8.220 6.837 1.00 40.11 H new ATOM 1865 N VAL A 120 8.625 -2.892 7.606 1.00 53.45 N ATOM 1866 CA VAL A 120 8.920 -2.467 8.969 1.00 44.45 C ATOM 1867 C VAL A 120 9.694 -1.153 8.979 1.00 61.01 C ATOM 1868 O VAL A 120 9.549 -0.342 9.893 1.00 63.32 O ATOM 1869 CB VAL A 120 9.733 -3.534 9.726 1.00 74.14 C ATOM 1870 CG1 VAL A 120 11.099 -3.720 9.084 1.00 3.21 C ATOM 1871 CG2 VAL A 120 9.870 -3.157 11.193 1.00 40.01 C ATOM 0 H VAL A 120 9.319 -3.520 7.201 1.00 53.45 H new ATOM 0 HA VAL A 120 7.963 -2.326 9.471 1.00 44.45 H new ATOM 0 HB VAL A 120 9.199 -4.483 9.667 1.00 74.14 H new ATOM 0 HG11 VAL A 120 11.659 -4.478 9.633 1.00 3.21 H new ATOM 0 HG12 VAL A 120 10.974 -4.039 8.049 1.00 3.21 H new ATOM 0 HG13 VAL A 120 11.644 -2.777 9.109 1.00 3.21 H new ATOM 0 HG21 VAL A 120 10.447 -3.922 11.713 1.00 40.01 H new ATOM 0 HG22 VAL A 120 10.381 -2.198 11.276 1.00 40.01 H new ATOM 0 HG23 VAL A 120 8.880 -3.081 11.643 1.00 40.01 H new ATOM 1881 N GLY A 121 10.517 -0.949 7.955 1.00 40.14 N ATOM 1882 CA GLY A 121 11.302 0.269 7.865 1.00 73.54 C ATOM 1883 C GLY A 121 10.454 1.517 8.007 1.00 34.22 C ATOM 1884 O GLY A 121 10.604 2.272 8.966 1.00 5.05 O ATOM 0 H GLY A 121 10.654 -1.605 7.186 1.00 40.14 H new ATOM 0 HA2 GLY A 121 12.067 0.263 8.642 1.00 73.54 H new ATOM 0 HA3 GLY A 121 11.821 0.293 6.907 1.00 73.54 H new ATOM 1888 N GLY A 122 9.559 1.736 7.048 1.00 61.40 N ATOM 1889 CA GLY A 122 8.698 2.903 7.089 1.00 44.33 C ATOM 1890 C GLY A 122 7.787 2.994 5.881 1.00 44.54 C ATOM 1891 O GLY A 122 7.455 4.090 5.426 1.00 74.22 O ATOM 0 H GLY A 122 9.415 1.126 6.244 1.00 61.40 H new ATOM 0 HA2 GLY A 122 8.093 2.873 7.995 1.00 44.33 H new ATOM 0 HA3 GLY A 122 9.312 3.802 7.146 1.00 44.33 H new ATOM 1895 N LEU A 123 7.384 1.842 5.358 1.00 71.13 N ATOM 1896 CA LEU A 123 6.507 1.796 4.193 1.00 73.40 C ATOM 1897 C LEU A 123 5.294 0.910 4.460 1.00 54.42 C ATOM 1898 O LEU A 123 4.182 1.219 4.031 1.00 64.35 O ATOM 1899 CB LEU A 123 7.272 1.278 2.974 1.00 71.11 C ATOM 1900 CG LEU A 123 7.189 2.140 1.714 1.00 43.03 C ATOM 1901 CD1 LEU A 123 8.075 3.369 1.848 1.00 25.44 C ATOM 1902 CD2 LEU A 123 7.581 1.330 0.487 1.00 72.35 C ATOM 0 H LEU A 123 7.650 0.927 5.722 1.00 71.13 H new ATOM 0 HA LEU A 123 6.158 2.809 3.992 1.00 73.40 H new ATOM 0 HB2 LEU A 123 8.322 1.170 3.248 1.00 71.11 H new ATOM 0 HB3 LEU A 123 6.901 0.282 2.734 1.00 71.11 H new ATOM 0 HG LEU A 123 6.158 2.472 1.592 1.00 43.03 H new ATOM 0 HD11 LEU A 123 8.003 3.970 0.942 1.00 25.44 H new ATOM 0 HD12 LEU A 123 7.749 3.961 2.703 1.00 25.44 H new ATOM 0 HD13 LEU A 123 9.109 3.058 1.995 1.00 25.44 H new ATOM 0 HD21 LEU A 123 7.516 1.959 -0.400 1.00 72.35 H new ATOM 0 HD22 LEU A 123 8.603 0.968 0.601 1.00 72.35 H new ATOM 0 HD23 LEU A 123 6.905 0.481 0.380 1.00 72.35 H new ATOM 1914 N GLU A 124 5.515 -0.189 5.173 1.00 63.51 N ATOM 1915 CA GLU A 124 4.439 -1.118 5.498 1.00 61.22 C ATOM 1916 C GLU A 124 3.860 -1.744 4.232 1.00 13.13 C ATOM 1917 O GLU A 124 4.184 -2.879 3.885 1.00 34.14 O ATOM 1918 CB GLU A 124 3.335 -0.401 6.277 1.00 34.22 C ATOM 1919 CG GLU A 124 3.854 0.455 7.420 1.00 34.44 C ATOM 1920 CD GLU A 124 2.748 0.928 8.343 1.00 14.41 C ATOM 1921 OE1 GLU A 124 2.082 0.070 8.960 1.00 53.25 O ATOM 1922 OE2 GLU A 124 2.548 2.156 8.449 1.00 54.42 O ATOM 0 H GLU A 124 6.429 -0.458 5.537 1.00 63.51 H new ATOM 0 HA GLU A 124 4.854 -1.913 6.118 1.00 61.22 H new ATOM 0 HB2 GLU A 124 2.768 0.229 5.591 1.00 34.22 H new ATOM 0 HB3 GLU A 124 2.642 -1.143 6.675 1.00 34.22 H new ATOM 0 HG2 GLU A 124 4.583 -0.116 7.995 1.00 34.44 H new ATOM 0 HG3 GLU A 124 4.377 1.320 7.013 1.00 34.44 H new TER 1929 GLU A 124