USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1084 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.9!) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.0284 (180deg=-0.259) USER MOD Single : A 15 THR OG1 : rot 110:sc= 0.923 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 49:sc= 0.59 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0945 USER MOD Single : A 21 GLN : amide:sc= 0.451 K(o=0.45,f=-5.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 83:sc= 0.00564 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -150:sc= 0.124 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 77:sc= -0.0472 USER MOD Single : A 44 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0.984 (180deg=0.944) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.0189 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 81 ASN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.26) USER MOD Single : A 86 LYS NZ :NH3+ -115:sc= -0.13 (180deg=-0.166) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 98 SER OG : rot -127:sc= 1.27 USER MOD Single : A 106 THR OG1 : rot -4:sc= 0.721 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 CYS SG : rot 177:sc= -0.211 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00555 X(o=-0.0056,f=-0.14) USER MOD Single : A 120 TYR OH : rot -169:sc= -0.391 USER MOD Single : A 121 ASN : amide:sc= -0.649 K(o=-0.65,f=-2.4!) USER MOD Single : A 127 ASN : amide:sc= -0.0115 K(o=-0.012,f=-0.67) USER MOD Single : A 132 THR OG1 : rot -120:sc= -0.211 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= 1.78 K(o=1.8,f=-6.6!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.631 6.555 -5.213 1.00 2.11 N ATOM 34 CA GLU A 4 21.247 6.101 -5.136 1.00 31.02 C ATOM 35 C GLU A 4 20.972 5.499 -3.745 1.00 2.41 C ATOM 36 O GLU A 4 21.827 5.537 -2.848 1.00 75.41 O ATOM 37 CB GLU A 4 20.930 5.149 -6.297 1.00 73.45 C ATOM 38 CG GLU A 4 21.248 5.724 -7.687 1.00 40.13 C ATOM 39 CD GLU A 4 22.538 5.164 -8.294 1.00 62.02 C ATOM 40 OE1 GLU A 4 23.630 5.398 -7.727 1.00 44.55 O ATOM 41 OE2 GLU A 4 22.449 4.481 -9.342 1.00 1.53 O ATOM 0 HA GLU A 4 20.567 6.945 -5.249 1.00 31.02 H new ATOM 0 HB2 GLU A 4 21.494 4.226 -6.160 1.00 73.45 H new ATOM 0 HB3 GLU A 4 19.873 4.886 -6.258 1.00 73.45 H new ATOM 0 HG2 GLU A 4 20.417 5.512 -8.359 1.00 40.13 H new ATOM 0 HG3 GLU A 4 21.330 6.808 -7.614 1.00 40.13 H new ATOM 48 N GLU A 5 19.764 4.996 -3.519 1.00 73.13 N ATOM 49 CA GLU A 5 19.311 4.439 -2.258 1.00 2.24 C ATOM 50 C GLU A 5 19.046 2.940 -2.477 1.00 75.45 C ATOM 51 O GLU A 5 18.862 2.485 -3.609 1.00 4.31 O ATOM 52 CB GLU A 5 18.145 5.320 -1.777 1.00 15.40 C ATOM 53 CG GLU A 5 17.778 5.068 -0.313 1.00 74.24 C ATOM 54 CD GLU A 5 17.383 6.329 0.462 1.00 41.54 C ATOM 55 OE1 GLU A 5 16.571 7.133 -0.044 1.00 51.52 O ATOM 56 OE2 GLU A 5 17.939 6.484 1.577 1.00 23.22 O ATOM 0 H GLU A 5 19.046 4.966 -4.243 1.00 73.13 H new ATOM 0 HA GLU A 5 20.033 4.460 -1.442 1.00 2.24 H new ATOM 0 HB2 GLU A 5 18.411 6.369 -1.905 1.00 15.40 H new ATOM 0 HB3 GLU A 5 17.272 5.134 -2.403 1.00 15.40 H new ATOM 0 HG2 GLU A 5 16.952 4.358 -0.274 1.00 74.24 H new ATOM 0 HG3 GLU A 5 18.625 4.599 0.187 1.00 74.24 H new ATOM 63 N ASP A 6 19.152 2.146 -1.415 1.00 53.22 N ATOM 64 CA ASP A 6 19.416 0.704 -1.460 1.00 13.31 C ATOM 65 C ASP A 6 18.140 -0.113 -1.696 1.00 13.10 C ATOM 66 O ASP A 6 17.054 0.446 -1.718 1.00 32.33 O ATOM 67 CB ASP A 6 20.068 0.319 -0.126 1.00 73.13 C ATOM 68 CG ASP A 6 20.737 -1.040 -0.186 1.00 34.22 C ATOM 69 OD1 ASP A 6 21.915 -1.088 -0.611 1.00 22.22 O ATOM 70 OD2 ASP A 6 20.103 -2.032 0.222 1.00 60.23 O ATOM 0 H ASP A 6 19.053 2.498 -0.463 1.00 53.22 H new ATOM 0 HA ASP A 6 20.075 0.480 -2.298 1.00 13.31 H new ATOM 0 HB2 ASP A 6 20.806 1.073 0.147 1.00 73.13 H new ATOM 0 HB3 ASP A 6 19.311 0.315 0.658 1.00 73.13 H new ATOM 75 N PHE A 7 18.221 -1.438 -1.827 1.00 22.02 N ATOM 76 CA PHE A 7 17.062 -2.321 -1.896 1.00 40.34 C ATOM 77 C PHE A 7 16.648 -2.875 -0.523 1.00 11.20 C ATOM 78 O PHE A 7 15.671 -3.615 -0.437 1.00 13.22 O ATOM 79 CB PHE A 7 17.351 -3.453 -2.893 1.00 40.41 C ATOM 80 CG PHE A 7 18.575 -4.292 -2.590 1.00 21.31 C ATOM 81 CD1 PHE A 7 18.505 -5.300 -1.611 1.00 51.33 C ATOM 82 CD2 PHE A 7 19.777 -4.084 -3.292 1.00 55.12 C ATOM 83 CE1 PHE A 7 19.634 -6.079 -1.321 1.00 3.21 C ATOM 84 CE2 PHE A 7 20.908 -4.865 -3.002 1.00 34.23 C ATOM 85 CZ PHE A 7 20.840 -5.859 -2.010 1.00 43.21 C ATOM 0 H PHE A 7 19.110 -1.933 -1.889 1.00 22.02 H new ATOM 0 HA PHE A 7 16.211 -1.734 -2.243 1.00 40.34 H new ATOM 0 HB2 PHE A 7 16.482 -4.110 -2.932 1.00 40.41 H new ATOM 0 HB3 PHE A 7 17.467 -3.018 -3.886 1.00 40.41 H new ATOM 0 HD1 PHE A 7 17.580 -5.474 -1.082 1.00 51.33 H new ATOM 0 HD2 PHE A 7 19.830 -3.322 -4.056 1.00 55.12 H new ATOM 0 HE1 PHE A 7 19.577 -6.850 -0.567 1.00 3.21 H new ATOM 0 HE2 PHE A 7 21.830 -4.702 -3.541 1.00 34.23 H new ATOM 0 HZ PHE A 7 21.712 -6.452 -1.778 1.00 43.21 H new ATOM 95 N LYS A 8 17.355 -2.541 0.565 1.00 61.44 N ATOM 96 CA LYS A 8 17.006 -2.937 1.931 1.00 72.33 C ATOM 97 C LYS A 8 16.754 -1.710 2.800 1.00 64.45 C ATOM 98 O LYS A 8 15.631 -1.514 3.258 1.00 21.44 O ATOM 99 CB LYS A 8 18.105 -3.857 2.490 1.00 14.41 C ATOM 100 CG LYS A 8 17.782 -4.283 3.931 1.00 24.30 C ATOM 101 CD LYS A 8 18.760 -5.296 4.537 1.00 51.31 C ATOM 102 CE LYS A 8 20.201 -4.784 4.631 1.00 62.33 C ATOM 103 NZ LYS A 8 21.081 -5.271 3.546 1.00 54.43 N ATOM 0 H LYS A 8 18.203 -1.976 0.516 1.00 61.44 H new ATOM 0 HA LYS A 8 16.074 -3.502 1.930 1.00 72.33 H new ATOM 0 HB2 LYS A 8 18.202 -4.740 1.858 1.00 14.41 H new ATOM 0 HB3 LYS A 8 19.065 -3.341 2.465 1.00 14.41 H new ATOM 0 HG2 LYS A 8 17.764 -3.394 4.562 1.00 24.30 H new ATOM 0 HG3 LYS A 8 16.779 -4.710 3.953 1.00 24.30 H new ATOM 0 HD2 LYS A 8 18.415 -5.568 5.535 1.00 51.31 H new ATOM 0 HD3 LYS A 8 18.746 -6.205 3.936 1.00 51.31 H new ATOM 0 HE2 LYS A 8 20.191 -3.694 4.616 1.00 62.33 H new ATOM 0 HE3 LYS A 8 20.622 -5.086 5.590 1.00 62.33 H new ATOM 0 HZ1 LYS A 8 22.038 -4.884 3.675 1.00 54.43 H new ATOM 0 HZ2 LYS A 8 21.121 -6.310 3.571 1.00 54.43 H new ATOM 0 HZ3 LYS A 8 20.704 -4.962 2.628 1.00 54.43 H new ATOM 117 N THR A 9 17.775 -0.882 3.037 1.00 11.53 N ATOM 118 CA THR A 9 17.681 0.263 3.944 1.00 25.34 C ATOM 119 C THR A 9 16.529 1.208 3.563 1.00 2.33 C ATOM 120 O THR A 9 15.907 1.797 4.448 1.00 15.30 O ATOM 121 CB THR A 9 19.072 0.928 4.010 1.00 45.43 C ATOM 122 OG1 THR A 9 19.922 0.123 4.802 1.00 30.44 O ATOM 123 CG2 THR A 9 19.115 2.359 4.560 1.00 60.33 C ATOM 0 H THR A 9 18.692 -0.988 2.604 1.00 11.53 H new ATOM 0 HA THR A 9 17.416 -0.058 4.951 1.00 25.34 H new ATOM 0 HB THR A 9 19.394 1.008 2.972 1.00 45.43 H new ATOM 0 HG1 THR A 9 20.810 0.534 4.850 1.00 30.44 H new ATOM 0 HG21 THR A 9 20.144 2.719 4.558 1.00 60.33 H new ATOM 0 HG22 THR A 9 18.502 3.008 3.934 1.00 60.33 H new ATOM 0 HG23 THR A 9 18.730 2.369 5.580 1.00 60.33 H new ATOM 131 N PHE A 10 16.178 1.307 2.277 1.00 21.34 N ATOM 132 CA PHE A 10 15.092 2.141 1.779 1.00 32.12 C ATOM 133 C PHE A 10 13.771 1.749 2.450 1.00 21.20 C ATOM 134 O PHE A 10 12.959 2.618 2.784 1.00 62.23 O ATOM 135 CB PHE A 10 15.023 2.020 0.242 1.00 51.42 C ATOM 136 CG PHE A 10 14.034 0.990 -0.274 1.00 64.15 C ATOM 137 CD1 PHE A 10 14.313 -0.381 -0.137 1.00 61.42 C ATOM 138 CD2 PHE A 10 12.773 1.399 -0.747 1.00 62.34 C ATOM 139 CE1 PHE A 10 13.323 -1.334 -0.423 1.00 20.14 C ATOM 140 CE2 PHE A 10 11.789 0.444 -1.051 1.00 53.22 C ATOM 141 CZ PHE A 10 12.065 -0.920 -0.876 1.00 11.50 C ATOM 0 H PHE A 10 16.658 0.793 1.538 1.00 21.34 H new ATOM 0 HA PHE A 10 15.278 3.186 2.028 1.00 32.12 H new ATOM 0 HB2 PHE A 10 14.762 2.993 -0.173 1.00 51.42 H new ATOM 0 HB3 PHE A 10 16.015 1.770 -0.133 1.00 51.42 H new ATOM 0 HD1 PHE A 10 15.291 -0.702 0.189 1.00 61.42 H new ATOM 0 HD2 PHE A 10 12.561 2.450 -0.877 1.00 62.34 H new ATOM 0 HE1 PHE A 10 13.532 -2.386 -0.294 1.00 20.14 H new ATOM 0 HE2 PHE A 10 10.823 0.759 -1.418 1.00 53.22 H new ATOM 0 HZ PHE A 10 11.303 -1.654 -1.092 1.00 11.50 H new ATOM 151 N LEU A 11 13.577 0.446 2.673 1.00 44.52 N ATOM 152 CA LEU A 11 12.363 -0.131 3.200 1.00 54.14 C ATOM 153 C LEU A 11 12.290 0.201 4.676 1.00 71.35 C ATOM 154 O LEU A 11 11.355 0.875 5.085 1.00 21.12 O ATOM 155 CB LEU A 11 12.354 -1.646 2.948 1.00 61.12 C ATOM 156 CG LEU A 11 10.953 -2.261 3.041 1.00 53.12 C ATOM 157 CD1 LEU A 11 9.955 -1.646 2.047 1.00 54.21 C ATOM 158 CD2 LEU A 11 11.077 -3.757 2.767 1.00 31.43 C ATOM 0 H LEU A 11 14.296 -0.252 2.480 1.00 44.52 H new ATOM 0 HA LEU A 11 11.484 0.280 2.703 1.00 54.14 H new ATOM 0 HB2 LEU A 11 12.768 -1.847 1.960 1.00 61.12 H new ATOM 0 HB3 LEU A 11 13.007 -2.133 3.672 1.00 61.12 H new ATOM 0 HG LEU A 11 10.564 -2.060 4.039 1.00 53.12 H new ATOM 0 HD11 LEU A 11 8.983 -2.125 2.164 1.00 54.21 H new ATOM 0 HD12 LEU A 11 9.859 -0.578 2.242 1.00 54.21 H new ATOM 0 HD13 LEU A 11 10.314 -1.798 1.029 1.00 54.21 H new ATOM 0 HD21 LEU A 11 10.092 -4.221 2.827 1.00 31.43 H new ATOM 0 HD22 LEU A 11 11.491 -3.911 1.770 1.00 31.43 H new ATOM 0 HD23 LEU A 11 11.737 -4.209 3.508 1.00 31.43 H new ATOM 170 N GLN A 12 13.339 -0.159 5.427 1.00 74.23 N ATOM 171 CA GLN A 12 13.490 0.108 6.857 1.00 10.33 C ATOM 172 C GLN A 12 13.181 1.573 7.211 1.00 2.21 C ATOM 173 O GLN A 12 12.656 1.871 8.286 1.00 5.10 O ATOM 174 CB GLN A 12 14.935 -0.195 7.293 1.00 12.41 C ATOM 175 CG GLN A 12 15.475 -1.605 7.003 1.00 25.40 C ATOM 176 CD GLN A 12 16.938 -1.725 7.447 1.00 13.14 C ATOM 177 OE1 GLN A 12 17.836 -1.957 6.643 1.00 63.12 O ATOM 178 NE2 GLN A 12 17.247 -1.507 8.716 1.00 62.44 N ATOM 0 H GLN A 12 14.135 -0.664 5.037 1.00 74.23 H new ATOM 0 HA GLN A 12 12.779 -0.534 7.377 1.00 10.33 H new ATOM 0 HB2 GLN A 12 15.593 0.525 6.807 1.00 12.41 H new ATOM 0 HB3 GLN A 12 15.008 -0.019 8.366 1.00 12.41 H new ATOM 0 HG2 GLN A 12 14.869 -2.346 7.524 1.00 25.40 H new ATOM 0 HG3 GLN A 12 15.394 -1.819 5.937 1.00 25.40 H new ATOM 0 HE21 GLN A 12 16.510 -1.313 9.394 1.00 62.44 H new ATOM 0 HE22 GLN A 12 18.222 -1.533 9.015 1.00 62.44 H new ATOM 187 N LYS A 13 13.562 2.499 6.326 1.00 34.12 N ATOM 188 CA LYS A 13 13.323 3.931 6.458 1.00 63.25 C ATOM 189 C LYS A 13 11.861 4.254 6.205 1.00 12.10 C ATOM 190 O LYS A 13 11.240 4.954 7.001 1.00 32.30 O ATOM 191 CB LYS A 13 14.221 4.666 5.456 1.00 42.32 C ATOM 192 CG LYS A 13 15.660 4.662 5.974 1.00 60.44 C ATOM 193 CD LYS A 13 16.667 5.112 4.913 1.00 44.52 C ATOM 194 CE LYS A 13 18.006 5.374 5.603 1.00 21.44 C ATOM 195 NZ LYS A 13 17.982 6.632 6.375 1.00 53.13 N ATOM 0 H LYS A 13 14.062 2.259 5.470 1.00 34.12 H new ATOM 0 HA LYS A 13 13.560 4.254 7.472 1.00 63.25 H new ATOM 0 HB2 LYS A 13 14.171 4.181 4.481 1.00 42.32 H new ATOM 0 HB3 LYS A 13 13.873 5.690 5.321 1.00 42.32 H new ATOM 0 HG2 LYS A 13 15.732 5.319 6.841 1.00 60.44 H new ATOM 0 HG3 LYS A 13 15.918 3.658 6.312 1.00 60.44 H new ATOM 0 HD2 LYS A 13 16.779 4.346 4.146 1.00 44.52 H new ATOM 0 HD3 LYS A 13 16.314 6.014 4.413 1.00 44.52 H new ATOM 0 HE2 LYS A 13 18.242 4.543 6.268 1.00 21.44 H new ATOM 0 HE3 LYS A 13 18.798 5.420 4.856 1.00 21.44 H new ATOM 0 HZ1 LYS A 13 18.956 6.955 6.543 1.00 53.13 H new ATOM 0 HZ2 LYS A 13 17.464 7.358 5.840 1.00 53.13 H new ATOM 0 HZ3 LYS A 13 17.509 6.471 7.287 1.00 53.13 H new ATOM 209 N PHE A 14 11.315 3.766 5.095 1.00 63.45 N ATOM 210 CA PHE A 14 9.933 3.973 4.702 1.00 35.22 C ATOM 211 C PHE A 14 8.965 3.491 5.785 1.00 43.42 C ATOM 212 O PHE A 14 7.992 4.186 6.077 1.00 3.31 O ATOM 213 CB PHE A 14 9.714 3.266 3.364 1.00 61.23 C ATOM 214 CG PHE A 14 8.352 3.469 2.745 1.00 44.54 C ATOM 215 CD1 PHE A 14 8.090 4.610 1.962 1.00 61.45 C ATOM 216 CD2 PHE A 14 7.364 2.483 2.907 1.00 55.21 C ATOM 217 CE1 PHE A 14 6.867 4.721 1.276 1.00 1.40 C ATOM 218 CE2 PHE A 14 6.130 2.612 2.251 1.00 31.14 C ATOM 219 CZ PHE A 14 5.889 3.718 1.416 1.00 41.34 C ATOM 0 H PHE A 14 11.840 3.200 4.428 1.00 63.45 H new ATOM 0 HA PHE A 14 9.729 5.037 4.582 1.00 35.22 H new ATOM 0 HB2 PHE A 14 10.471 3.613 2.660 1.00 61.23 H new ATOM 0 HB3 PHE A 14 9.876 2.197 3.505 1.00 61.23 H new ATOM 0 HD1 PHE A 14 8.826 5.397 1.889 1.00 61.45 H new ATOM 0 HD2 PHE A 14 7.554 1.626 3.536 1.00 55.21 H new ATOM 0 HE1 PHE A 14 6.678 5.575 0.642 1.00 1.40 H new ATOM 0 HE2 PHE A 14 5.365 1.862 2.387 1.00 31.14 H new ATOM 0 HZ PHE A 14 4.954 3.798 0.882 1.00 41.34 H new ATOM 229 N THR A 15 9.248 2.349 6.409 1.00 45.15 N ATOM 230 CA THR A 15 8.451 1.754 7.474 1.00 11.50 C ATOM 231 C THR A 15 8.684 2.427 8.832 1.00 11.13 C ATOM 232 O THR A 15 8.081 2.024 9.828 1.00 33.30 O ATOM 233 CB THR A 15 8.759 0.247 7.517 1.00 71.25 C ATOM 234 OG1 THR A 15 10.154 -0.009 7.551 1.00 52.13 O ATOM 235 CG2 THR A 15 8.180 -0.409 6.254 1.00 25.30 C ATOM 0 H THR A 15 10.071 1.793 6.176 1.00 45.15 H new ATOM 0 HA THR A 15 7.394 1.909 7.259 1.00 11.50 H new ATOM 0 HB THR A 15 8.313 -0.161 8.424 1.00 71.25 H new ATOM 0 HG1 THR A 15 10.401 -0.360 8.432 1.00 52.13 H new ATOM 0 HG21 THR A 15 8.391 -1.478 6.270 1.00 25.30 H new ATOM 0 HG22 THR A 15 7.102 -0.252 6.224 1.00 25.30 H new ATOM 0 HG23 THR A 15 8.636 0.037 5.370 1.00 25.30 H new ATOM 243 N SER A 16 9.553 3.439 8.915 1.00 73.24 N ATOM 244 CA SER A 16 9.947 4.056 10.169 1.00 23.11 C ATOM 245 C SER A 16 10.176 5.557 9.986 1.00 61.01 C ATOM 246 O SER A 16 11.134 6.099 10.537 1.00 11.32 O ATOM 247 CB SER A 16 11.176 3.317 10.714 1.00 4.41 C ATOM 248 OG SER A 16 11.259 3.488 12.115 1.00 41.21 O ATOM 0 H SER A 16 10.004 3.852 8.099 1.00 73.24 H new ATOM 0 HA SER A 16 9.149 3.968 10.906 1.00 23.11 H new ATOM 0 HB2 SER A 16 11.110 2.256 10.472 1.00 4.41 H new ATOM 0 HB3 SER A 16 12.080 3.697 10.238 1.00 4.41 H new ATOM 0 HG SER A 16 12.045 3.012 12.457 1.00 41.21 H new ATOM 254 N SER A 17 9.322 6.217 9.199 1.00 21.13 N ATOM 255 CA SER A 17 9.121 7.658 9.200 1.00 13.13 C ATOM 256 C SER A 17 7.894 7.963 8.355 1.00 11.12 C ATOM 257 O SER A 17 7.967 7.894 7.127 1.00 73.33 O ATOM 258 CB SER A 17 10.341 8.414 8.646 1.00 41.45 C ATOM 259 OG SER A 17 11.295 8.787 9.624 1.00 33.21 O ATOM 0 H SER A 17 8.731 5.738 8.519 1.00 21.13 H new ATOM 0 HA SER A 17 8.982 7.993 10.228 1.00 13.13 H new ATOM 0 HB2 SER A 17 10.831 7.790 7.899 1.00 41.45 H new ATOM 0 HB3 SER A 17 9.994 9.312 8.134 1.00 41.45 H new ATOM 0 HG SER A 17 11.503 8.014 10.190 1.00 33.21 H new ATOM 265 N ALA A 18 6.781 8.328 8.995 1.00 12.31 N ATOM 266 CA ALA A 18 5.562 8.722 8.299 1.00 21.22 C ATOM 267 C ALA A 18 5.829 9.882 7.335 1.00 51.53 C ATOM 268 O ALA A 18 5.387 9.851 6.187 1.00 24.40 O ATOM 269 CB ALA A 18 4.498 9.097 9.324 1.00 54.41 C ATOM 0 H ALA A 18 6.703 8.358 10.012 1.00 12.31 H new ATOM 0 HA ALA A 18 5.204 7.882 7.703 1.00 21.22 H new ATOM 0 HB1 ALA A 18 3.584 9.392 8.808 1.00 54.41 H new ATOM 0 HB2 ALA A 18 4.292 8.240 9.965 1.00 54.41 H new ATOM 0 HB3 ALA A 18 4.856 9.927 9.933 1.00 54.41 H new ATOM 275 N SER A 19 6.596 10.891 7.759 1.00 11.40 N ATOM 276 CA SER A 19 6.949 12.028 6.913 1.00 71.15 C ATOM 277 C SER A 19 7.661 11.565 5.636 1.00 74.01 C ATOM 278 O SER A 19 7.300 11.970 4.532 1.00 64.14 O ATOM 279 CB SER A 19 7.829 13.031 7.683 1.00 34.14 C ATOM 280 OG SER A 19 7.903 12.786 9.088 1.00 52.14 O ATOM 0 H SER A 19 6.988 10.940 8.699 1.00 11.40 H new ATOM 0 HA SER A 19 6.024 12.528 6.626 1.00 71.15 H new ATOM 0 HB2 SER A 19 8.836 13.007 7.268 1.00 34.14 H new ATOM 0 HB3 SER A 19 7.441 14.037 7.521 1.00 34.14 H new ATOM 0 HG SER A 19 8.478 13.459 9.508 1.00 52.14 H new ATOM 286 N PHE A 20 8.671 10.704 5.789 1.00 2.32 N ATOM 287 CA PHE A 20 9.456 10.171 4.686 1.00 64.05 C ATOM 288 C PHE A 20 8.579 9.311 3.768 1.00 23.00 C ATOM 289 O PHE A 20 8.653 9.486 2.555 1.00 32.20 O ATOM 290 CB PHE A 20 10.652 9.397 5.251 1.00 34.21 C ATOM 291 CG PHE A 20 11.538 8.741 4.215 1.00 74.12 C ATOM 292 CD1 PHE A 20 11.191 7.467 3.737 1.00 40.54 C ATOM 293 CD2 PHE A 20 12.712 9.364 3.753 1.00 64.03 C ATOM 294 CE1 PHE A 20 12.012 6.810 2.812 1.00 53.44 C ATOM 295 CE2 PHE A 20 13.532 8.705 2.817 1.00 42.54 C ATOM 296 CZ PHE A 20 13.188 7.426 2.350 1.00 74.12 C ATOM 0 H PHE A 20 8.966 10.355 6.701 1.00 2.32 H new ATOM 0 HA PHE A 20 9.841 10.985 4.072 1.00 64.05 H new ATOM 0 HB2 PHE A 20 11.259 10.080 5.846 1.00 34.21 H new ATOM 0 HB3 PHE A 20 10.280 8.628 5.928 1.00 34.21 H new ATOM 0 HD1 PHE A 20 10.286 6.991 4.085 1.00 40.54 H new ATOM 0 HD2 PHE A 20 12.983 10.345 4.115 1.00 64.03 H new ATOM 0 HE1 PHE A 20 11.741 5.828 2.453 1.00 53.44 H new ATOM 0 HE2 PHE A 20 14.430 9.185 2.457 1.00 42.54 H new ATOM 0 HZ PHE A 20 13.824 6.918 1.640 1.00 74.12 H new ATOM 306 N GLN A 21 7.747 8.424 4.334 1.00 55.45 N ATOM 307 CA GLN A 21 6.705 7.666 3.649 1.00 12.23 C ATOM 308 C GLN A 21 5.916 8.598 2.715 1.00 41.22 C ATOM 309 O GLN A 21 5.959 8.412 1.497 1.00 11.23 O ATOM 310 CB GLN A 21 5.837 6.901 4.659 1.00 4.24 C ATOM 311 CG GLN A 21 4.801 6.049 3.910 1.00 42.54 C ATOM 312 CD GLN A 21 4.367 4.759 4.590 1.00 23.00 C ATOM 313 OE1 GLN A 21 3.214 4.370 4.442 1.00 32.40 O ATOM 314 NE2 GLN A 21 5.252 4.061 5.279 1.00 40.51 N ATOM 0 H GLN A 21 7.790 8.210 5.330 1.00 55.45 H new ATOM 0 HA GLN A 21 7.150 6.900 3.014 1.00 12.23 H new ATOM 0 HB2 GLN A 21 6.464 6.264 5.283 1.00 4.24 H new ATOM 0 HB3 GLN A 21 5.333 7.602 5.325 1.00 4.24 H new ATOM 0 HG2 GLN A 21 3.915 6.660 3.740 1.00 42.54 H new ATOM 0 HG3 GLN A 21 5.208 5.799 2.931 1.00 42.54 H new ATOM 0 HE21 GLN A 21 6.205 4.409 5.386 1.00 40.51 H new ATOM 0 HE22 GLN A 21 4.983 3.174 5.704 1.00 40.51 H new ATOM 323 N TYR A 22 5.263 9.636 3.257 1.00 73.43 N ATOM 324 CA TYR A 22 4.498 10.611 2.475 1.00 15.23 C ATOM 325 C TYR A 22 5.365 11.270 1.396 1.00 55.52 C ATOM 326 O TYR A 22 4.967 11.314 0.229 1.00 15.33 O ATOM 327 CB TYR A 22 3.844 11.661 3.401 1.00 63.34 C ATOM 328 CG TYR A 22 2.573 11.199 4.100 1.00 55.21 C ATOM 329 CD1 TYR A 22 1.441 10.838 3.340 1.00 23.13 C ATOM 330 CD2 TYR A 22 2.519 11.091 5.502 1.00 0.42 C ATOM 331 CE1 TYR A 22 0.286 10.320 3.961 1.00 3.50 C ATOM 332 CE2 TYR A 22 1.361 10.606 6.134 1.00 13.34 C ATOM 333 CZ TYR A 22 0.234 10.223 5.372 1.00 72.11 C ATOM 334 OH TYR A 22 -0.872 9.736 6.003 1.00 73.32 O ATOM 0 H TYR A 22 5.253 9.822 4.260 1.00 73.43 H new ATOM 0 HA TYR A 22 3.700 10.077 1.959 1.00 15.23 H new ATOM 0 HB2 TYR A 22 4.570 11.958 4.158 1.00 63.34 H new ATOM 0 HB3 TYR A 22 3.615 12.550 2.813 1.00 63.34 H new ATOM 0 HD1 TYR A 22 1.459 10.960 2.267 1.00 23.13 H new ATOM 0 HD2 TYR A 22 3.373 11.383 6.096 1.00 0.42 H new ATOM 0 HE1 TYR A 22 -0.554 9.999 3.363 1.00 3.50 H new ATOM 0 HE2 TYR A 22 1.332 10.525 7.211 1.00 13.34 H new ATOM 0 HH TYR A 22 -0.725 9.743 6.972 1.00 73.32 H new ATOM 344 N SER A 23 6.573 11.728 1.735 1.00 52.43 N ATOM 345 CA SER A 23 7.525 12.335 0.800 1.00 35.04 C ATOM 346 C SER A 23 8.047 11.378 -0.292 1.00 34.41 C ATOM 347 O SER A 23 8.803 11.822 -1.160 1.00 40.31 O ATOM 348 CB SER A 23 8.700 12.921 1.594 1.00 44.44 C ATOM 349 OG SER A 23 8.340 14.076 2.338 1.00 21.22 O ATOM 0 H SER A 23 6.925 11.686 2.691 1.00 52.43 H new ATOM 0 HA SER A 23 6.982 13.114 0.265 1.00 35.04 H new ATOM 0 HB2 SER A 23 9.087 12.162 2.274 1.00 44.44 H new ATOM 0 HB3 SER A 23 9.507 13.174 0.906 1.00 44.44 H new ATOM 0 HG SER A 23 7.933 13.804 3.187 1.00 21.22 H new ATOM 355 N ARG A 24 7.669 10.094 -0.305 1.00 71.43 N ATOM 356 CA ARG A 24 8.149 9.097 -1.265 1.00 14.50 C ATOM 357 C ARG A 24 6.987 8.434 -1.999 1.00 74.11 C ATOM 358 O ARG A 24 7.037 7.238 -2.269 1.00 23.30 O ATOM 359 CB ARG A 24 9.078 8.089 -0.552 1.00 41.42 C ATOM 360 CG ARG A 24 10.482 8.657 -0.308 1.00 2.33 C ATOM 361 CD ARG A 24 11.270 8.855 -1.617 1.00 40.31 C ATOM 362 NE ARG A 24 11.658 10.254 -1.857 1.00 31.14 N ATOM 363 CZ ARG A 24 12.772 10.858 -1.432 1.00 41.21 C ATOM 364 NH1 ARG A 24 13.613 10.243 -0.598 1.00 61.24 N ATOM 365 NH2 ARG A 24 13.053 12.075 -1.877 1.00 44.43 N ATOM 0 H ARG A 24 7.005 9.712 0.369 1.00 71.43 H new ATOM 0 HA ARG A 24 8.741 9.590 -2.036 1.00 14.50 H new ATOM 0 HB2 ARG A 24 8.635 7.802 0.402 1.00 41.42 H new ATOM 0 HB3 ARG A 24 9.155 7.183 -1.153 1.00 41.42 H new ATOM 0 HG2 ARG A 24 10.400 9.612 0.212 1.00 2.33 H new ATOM 0 HG3 ARG A 24 11.035 7.984 0.348 1.00 2.33 H new ATOM 0 HD2 ARG A 24 12.167 8.236 -1.590 1.00 40.31 H new ATOM 0 HD3 ARG A 24 10.665 8.504 -2.453 1.00 40.31 H new ATOM 0 HE ARG A 24 11.010 10.821 -2.404 1.00 31.14 H new ATOM 0 HH11 ARG A 24 13.410 9.297 -0.275 1.00 61.24 H new ATOM 0 HH12 ARG A 24 14.459 10.719 -0.284 1.00 61.24 H new ATOM 0 HH21 ARG A 24 12.423 12.536 -2.534 1.00 44.43 H new ATOM 0 HH22 ARG A 24 13.899 12.550 -1.563 1.00 44.43 H new ATOM 379 N ILE A 25 5.932 9.172 -2.349 1.00 1.54 N ATOM 380 CA ILE A 25 4.806 8.639 -3.115 1.00 34.23 C ATOM 381 C ILE A 25 4.499 9.628 -4.239 1.00 53.21 C ATOM 382 O ILE A 25 4.261 10.804 -3.971 1.00 53.42 O ATOM 383 CB ILE A 25 3.609 8.377 -2.168 1.00 4.11 C ATOM 384 CG1 ILE A 25 3.974 7.330 -1.089 1.00 4.23 C ATOM 385 CG2 ILE A 25 2.370 7.910 -2.951 1.00 75.11 C ATOM 386 CD1 ILE A 25 2.985 7.292 0.061 1.00 54.32 C ATOM 0 H ILE A 25 5.835 10.158 -2.108 1.00 1.54 H new ATOM 0 HA ILE A 25 5.039 7.677 -3.572 1.00 34.23 H new ATOM 0 HB ILE A 25 3.372 9.320 -1.676 1.00 4.11 H new ATOM 0 HG12 ILE A 25 4.024 6.344 -1.550 1.00 4.23 H new ATOM 0 HG13 ILE A 25 4.968 7.550 -0.699 1.00 4.23 H new ATOM 0 HG21 ILE A 25 1.547 7.734 -2.258 1.00 75.11 H new ATOM 0 HG22 ILE A 25 2.083 8.678 -3.669 1.00 75.11 H new ATOM 0 HG23 ILE A 25 2.601 6.986 -3.481 1.00 75.11 H new ATOM 0 HD11 ILE A 25 3.296 6.538 0.784 1.00 54.32 H new ATOM 0 HD12 ILE A 25 2.953 8.268 0.545 1.00 54.32 H new ATOM 0 HD13 ILE A 25 1.994 7.043 -0.319 1.00 54.32 H new ATOM 398 N LYS A 26 4.540 9.173 -5.495 1.00 55.35 N ATOM 399 CA LYS A 26 3.932 9.896 -6.611 1.00 24.54 C ATOM 400 C LYS A 26 2.431 9.704 -6.513 1.00 55.34 C ATOM 401 O LYS A 26 1.957 8.664 -6.056 1.00 71.14 O ATOM 402 CB LYS A 26 4.412 9.361 -7.976 1.00 42.42 C ATOM 403 CG LYS A 26 5.596 10.150 -8.540 1.00 3.40 C ATOM 404 CD LYS A 26 6.928 9.817 -7.868 1.00 2.13 C ATOM 405 CE LYS A 26 7.911 11.000 -7.920 1.00 72.24 C ATOM 406 NZ LYS A 26 8.389 11.332 -9.278 1.00 35.21 N ATOM 0 H LYS A 26 4.993 8.299 -5.763 1.00 55.35 H new ATOM 0 HA LYS A 26 4.217 10.946 -6.549 1.00 24.54 H new ATOM 0 HB2 LYS A 26 4.696 8.314 -7.871 1.00 42.42 H new ATOM 0 HB3 LYS A 26 3.586 9.397 -8.686 1.00 42.42 H new ATOM 0 HG2 LYS A 26 5.678 9.952 -9.609 1.00 3.40 H new ATOM 0 HG3 LYS A 26 5.398 11.216 -8.428 1.00 3.40 H new ATOM 0 HD2 LYS A 26 6.750 9.538 -6.829 1.00 2.13 H new ATOM 0 HD3 LYS A 26 7.375 8.952 -8.358 1.00 2.13 H new ATOM 0 HE2 LYS A 26 7.428 11.878 -7.492 1.00 72.24 H new ATOM 0 HE3 LYS A 26 8.771 10.771 -7.290 1.00 72.24 H new ATOM 0 HZ1 LYS A 26 9.045 12.137 -9.228 1.00 35.21 H new ATOM 0 HZ2 LYS A 26 8.880 10.510 -9.684 1.00 35.21 H new ATOM 0 HZ3 LYS A 26 7.579 11.583 -9.880 1.00 35.21 H new ATOM 420 N PHE A 27 1.679 10.681 -6.999 1.00 73.31 N ATOM 421 CA PHE A 27 0.230 10.615 -7.053 1.00 2.10 C ATOM 422 C PHE A 27 -0.277 11.334 -8.313 1.00 35.43 C ATOM 423 O PHE A 27 0.478 12.112 -8.904 1.00 42.23 O ATOM 424 CB PHE A 27 -0.349 11.216 -5.766 1.00 60.14 C ATOM 425 CG PHE A 27 0.278 12.515 -5.311 1.00 71.51 C ATOM 426 CD1 PHE A 27 -0.275 13.742 -5.716 1.00 72.54 C ATOM 427 CD2 PHE A 27 1.313 12.488 -4.355 1.00 53.35 C ATOM 428 CE1 PHE A 27 0.182 14.931 -5.131 1.00 52.21 C ATOM 429 CE2 PHE A 27 1.804 13.687 -3.815 1.00 64.42 C ATOM 430 CZ PHE A 27 1.237 14.911 -4.203 1.00 74.52 C ATOM 0 H PHE A 27 2.064 11.550 -7.370 1.00 73.31 H new ATOM 0 HA PHE A 27 -0.103 9.579 -7.117 1.00 2.10 H new ATOM 0 HB2 PHE A 27 -1.417 11.380 -5.911 1.00 60.14 H new ATOM 0 HB3 PHE A 27 -0.245 10.483 -4.966 1.00 60.14 H new ATOM 0 HD1 PHE A 27 -1.046 13.769 -6.472 1.00 72.54 H new ATOM 0 HD2 PHE A 27 1.729 11.543 -4.037 1.00 53.35 H new ATOM 0 HE1 PHE A 27 -0.281 15.870 -5.396 1.00 52.21 H new ATOM 0 HE2 PHE A 27 2.616 13.668 -3.103 1.00 64.42 H new ATOM 0 HZ PHE A 27 1.611 15.836 -3.789 1.00 74.52 H new ATOM 440 N PRO A 28 -1.539 11.110 -8.729 1.00 43.13 N ATOM 441 CA PRO A 28 -2.369 9.987 -8.306 1.00 41.12 C ATOM 442 C PRO A 28 -1.738 8.650 -8.719 1.00 35.40 C ATOM 443 O PRO A 28 -0.710 8.614 -9.404 1.00 31.50 O ATOM 444 CB PRO A 28 -3.726 10.215 -8.965 1.00 3.10 C ATOM 445 CG PRO A 28 -3.380 10.971 -10.241 1.00 12.24 C ATOM 446 CD PRO A 28 -2.206 11.843 -9.797 1.00 64.32 C ATOM 0 HA PRO A 28 -2.468 9.934 -7.222 1.00 41.12 H new ATOM 0 HB2 PRO A 28 -4.230 9.273 -9.181 1.00 3.10 H new ATOM 0 HB3 PRO A 28 -4.391 10.793 -8.324 1.00 3.10 H new ATOM 0 HG2 PRO A 28 -3.102 10.296 -11.050 1.00 12.24 H new ATOM 0 HG3 PRO A 28 -4.218 11.569 -10.599 1.00 12.24 H new ATOM 0 HD2 PRO A 28 -1.524 12.030 -10.626 1.00 64.32 H new ATOM 0 HD3 PRO A 28 -2.553 12.814 -9.445 1.00 64.32 H new ATOM 454 N LEU A 29 -2.314 7.559 -8.217 1.00 61.31 N ATOM 455 CA LEU A 29 -1.792 6.210 -8.415 1.00 42.02 C ATOM 456 C LEU A 29 -2.512 5.581 -9.594 1.00 21.40 C ATOM 457 O LEU A 29 -3.611 6.000 -9.968 1.00 35.21 O ATOM 458 CB LEU A 29 -1.977 5.352 -7.153 1.00 13.04 C ATOM 459 CG LEU A 29 -1.248 5.947 -5.936 1.00 53.44 C ATOM 460 CD1 LEU A 29 -1.761 5.337 -4.634 1.00 42.04 C ATOM 461 CD2 LEU A 29 0.275 5.801 -6.002 1.00 64.54 C ATOM 0 H LEU A 29 -3.165 7.588 -7.656 1.00 61.31 H new ATOM 0 HA LEU A 29 -0.722 6.265 -8.617 1.00 42.02 H new ATOM 0 HB2 LEU A 29 -3.040 5.261 -6.930 1.00 13.04 H new ATOM 0 HB3 LEU A 29 -1.604 4.345 -7.342 1.00 13.04 H new ATOM 0 HG LEU A 29 -1.471 7.014 -5.959 1.00 53.44 H new ATOM 0 HD11 LEU A 29 -1.228 5.777 -3.791 1.00 42.04 H new ATOM 0 HD12 LEU A 29 -2.827 5.538 -4.533 1.00 42.04 H new ATOM 0 HD13 LEU A 29 -1.595 4.260 -4.647 1.00 42.04 H new ATOM 0 HD21 LEU A 29 0.722 6.243 -5.111 1.00 64.54 H new ATOM 0 HD22 LEU A 29 0.537 4.744 -6.054 1.00 64.54 H new ATOM 0 HD23 LEU A 29 0.651 6.312 -6.888 1.00 64.54 H new ATOM 473 N LYS A 30 -1.874 4.562 -10.152 1.00 72.41 N ATOM 474 CA LYS A 30 -2.267 3.925 -11.406 1.00 71.11 C ATOM 475 C LYS A 30 -3.471 2.981 -11.257 1.00 0.23 C ATOM 476 O LYS A 30 -4.155 2.702 -12.244 1.00 64.34 O ATOM 477 CB LYS A 30 -1.059 3.193 -11.977 1.00 44.21 C ATOM 478 CG LYS A 30 0.122 4.092 -12.372 1.00 75.15 C ATOM 479 CD LYS A 30 1.222 3.225 -12.993 1.00 51.31 C ATOM 480 CE LYS A 30 2.326 4.114 -13.564 1.00 64.23 C ATOM 481 NZ LYS A 30 3.295 3.330 -14.348 1.00 74.14 N ATOM 0 H LYS A 30 -1.044 4.142 -9.734 1.00 72.41 H new ATOM 0 HA LYS A 30 -2.597 4.704 -12.093 1.00 71.11 H new ATOM 0 HB2 LYS A 30 -0.713 2.467 -11.241 1.00 44.21 H new ATOM 0 HB3 LYS A 30 -1.376 2.630 -12.855 1.00 44.21 H new ATOM 0 HG2 LYS A 30 -0.204 4.852 -13.082 1.00 75.15 H new ATOM 0 HG3 LYS A 30 0.505 4.617 -11.497 1.00 75.15 H new ATOM 0 HD2 LYS A 30 1.636 2.554 -12.240 1.00 51.31 H new ATOM 0 HD3 LYS A 30 0.803 2.600 -13.781 1.00 51.31 H new ATOM 0 HE2 LYS A 30 1.884 4.885 -14.195 1.00 64.23 H new ATOM 0 HE3 LYS A 30 2.842 4.624 -12.750 1.00 64.23 H new ATOM 0 HZ1 LYS A 30 4.031 3.962 -14.722 1.00 74.14 H new ATOM 0 HZ2 LYS A 30 3.733 2.610 -13.739 1.00 74.14 H new ATOM 0 HZ3 LYS A 30 2.806 2.863 -15.138 1.00 74.14 H new ATOM 495 N SER A 31 -3.763 2.518 -10.043 1.00 54.32 N ATOM 496 CA SER A 31 -4.847 1.609 -9.700 1.00 40.35 C ATOM 497 C SER A 31 -5.953 2.411 -8.989 1.00 11.33 C ATOM 498 O SER A 31 -5.885 2.595 -7.771 1.00 61.13 O ATOM 499 CB SER A 31 -4.268 0.429 -8.899 1.00 43.45 C ATOM 500 OG SER A 31 -5.102 -0.719 -8.879 1.00 53.34 O ATOM 0 H SER A 31 -3.214 2.786 -9.226 1.00 54.32 H new ATOM 0 HA SER A 31 -5.320 1.165 -10.576 1.00 40.35 H new ATOM 0 HB2 SER A 31 -3.301 0.156 -9.322 1.00 43.45 H new ATOM 0 HB3 SER A 31 -4.088 0.753 -7.874 1.00 43.45 H new ATOM 0 HG SER A 31 -4.958 -1.213 -8.045 1.00 53.34 H new ATOM 506 N PRO A 32 -6.909 3.035 -9.710 1.00 12.21 N ATOM 507 CA PRO A 32 -8.031 3.700 -9.064 1.00 31.20 C ATOM 508 C PRO A 32 -8.902 2.661 -8.348 1.00 64.35 C ATOM 509 O PRO A 32 -8.958 1.492 -8.734 1.00 52.15 O ATOM 510 CB PRO A 32 -8.791 4.416 -10.183 1.00 23.24 C ATOM 511 CG PRO A 32 -8.535 3.534 -11.400 1.00 62.15 C ATOM 512 CD PRO A 32 -7.134 2.976 -11.146 1.00 62.15 C ATOM 0 HA PRO A 32 -7.716 4.415 -8.304 1.00 31.20 H new ATOM 0 HB2 PRO A 32 -9.855 4.495 -9.960 1.00 23.24 H new ATOM 0 HB3 PRO A 32 -8.421 5.430 -10.336 1.00 23.24 H new ATOM 0 HG2 PRO A 32 -9.275 2.738 -11.482 1.00 62.15 H new ATOM 0 HG3 PRO A 32 -8.578 4.106 -12.327 1.00 62.15 H new ATOM 0 HD2 PRO A 32 -7.056 1.951 -11.507 1.00 62.15 H new ATOM 0 HD3 PRO A 32 -6.383 3.560 -11.679 1.00 62.15 H new ATOM 520 N ILE A 33 -9.607 3.108 -7.313 1.00 44.32 N ATOM 521 CA ILE A 33 -10.525 2.286 -6.531 1.00 55.33 C ATOM 522 C ILE A 33 -11.795 2.132 -7.357 1.00 11.14 C ATOM 523 O ILE A 33 -12.274 3.121 -7.925 1.00 24.24 O ATOM 524 CB ILE A 33 -10.807 3.009 -5.200 1.00 53.24 C ATOM 525 CG1 ILE A 33 -9.532 3.033 -4.339 1.00 3.20 C ATOM 526 CG2 ILE A 33 -11.920 2.377 -4.354 1.00 23.40 C ATOM 527 CD1 ILE A 33 -9.517 4.220 -3.384 1.00 42.15 C ATOM 0 H ILE A 33 -9.555 4.073 -6.987 1.00 44.32 H new ATOM 0 HA ILE A 33 -10.115 1.302 -6.304 1.00 55.33 H new ATOM 0 HB ILE A 33 -11.137 4.008 -5.485 1.00 53.24 H new ATOM 0 HG12 ILE A 33 -9.461 2.107 -3.769 1.00 3.20 H new ATOM 0 HG13 ILE A 33 -8.657 3.077 -4.987 1.00 3.20 H new ATOM 0 HG21 ILE A 33 -12.050 2.951 -3.436 1.00 23.40 H new ATOM 0 HG22 ILE A 33 -12.852 2.380 -4.919 1.00 23.40 H new ATOM 0 HG23 ILE A 33 -11.650 1.351 -4.105 1.00 23.40 H new ATOM 0 HD11 ILE A 33 -8.601 4.201 -2.794 1.00 42.15 H new ATOM 0 HD12 ILE A 33 -9.561 5.147 -3.955 1.00 42.15 H new ATOM 0 HD13 ILE A 33 -10.378 4.162 -2.718 1.00 42.15 H new ATOM 539 N ALA A 34 -12.394 0.944 -7.363 1.00 1.42 N ATOM 540 CA ALA A 34 -13.599 0.643 -8.118 1.00 72.23 C ATOM 541 C ALA A 34 -14.546 -0.170 -7.243 1.00 0.31 C ATOM 542 O ALA A 34 -14.255 -1.337 -6.968 1.00 63.52 O ATOM 543 CB ALA A 34 -13.211 -0.093 -9.396 1.00 3.45 C ATOM 0 H ALA A 34 -12.044 0.148 -6.830 1.00 1.42 H new ATOM 0 HA ALA A 34 -14.121 1.556 -8.406 1.00 72.23 H new ATOM 0 HB1 ALA A 34 -14.109 -0.324 -9.970 1.00 3.45 H new ATOM 0 HB2 ALA A 34 -12.551 0.537 -9.992 1.00 3.45 H new ATOM 0 HB3 ALA A 34 -12.696 -1.019 -9.140 1.00 3.45 H new ATOM 549 N LEU A 35 -15.613 0.470 -6.746 1.00 14.13 N ATOM 550 CA LEU A 35 -16.623 -0.171 -5.896 1.00 42.42 C ATOM 551 C LEU A 35 -17.933 -0.338 -6.643 1.00 63.21 C ATOM 552 O LEU A 35 -18.186 0.325 -7.650 1.00 21.34 O ATOM 553 CB LEU A 35 -16.959 0.632 -4.625 1.00 40.10 C ATOM 554 CG LEU A 35 -15.797 1.058 -3.733 1.00 21.23 C ATOM 555 CD1 LEU A 35 -14.607 0.099 -3.697 1.00 32.45 C ATOM 556 CD2 LEU A 35 -15.398 2.476 -4.082 1.00 40.33 C ATOM 0 H LEU A 35 -15.800 1.457 -6.925 1.00 14.13 H new ATOM 0 HA LEU A 35 -16.180 -1.127 -5.618 1.00 42.42 H new ATOM 0 HB2 LEU A 35 -17.498 1.530 -4.927 1.00 40.10 H new ATOM 0 HB3 LEU A 35 -17.645 0.036 -4.022 1.00 40.10 H new ATOM 0 HG LEU A 35 -16.161 1.019 -2.706 1.00 21.23 H new ATOM 0 HD11 LEU A 35 -13.839 0.497 -3.034 1.00 32.45 H new ATOM 0 HD12 LEU A 35 -14.935 -0.874 -3.330 1.00 32.45 H new ATOM 0 HD13 LEU A 35 -14.198 -0.011 -4.701 1.00 32.45 H new ATOM 0 HD21 LEU A 35 -14.568 2.787 -3.448 1.00 40.33 H new ATOM 0 HD22 LEU A 35 -15.093 2.521 -5.127 1.00 40.33 H new ATOM 0 HD23 LEU A 35 -16.246 3.142 -3.922 1.00 40.33 H new ATOM 568 N LEU A 36 -18.791 -1.162 -6.053 1.00 44.32 N ATOM 569 CA LEU A 36 -20.140 -1.428 -6.497 1.00 14.35 C ATOM 570 C LEU A 36 -21.059 -0.317 -6.016 1.00 41.03 C ATOM 571 O LEU A 36 -21.116 -0.006 -4.819 1.00 51.41 O ATOM 572 CB LEU A 36 -20.593 -2.776 -5.925 1.00 44.31 C ATOM 573 CG LEU A 36 -19.682 -3.945 -6.343 1.00 15.05 C ATOM 574 CD1 LEU A 36 -20.334 -5.266 -5.950 1.00 40.33 C ATOM 575 CD2 LEU A 36 -19.361 -3.967 -7.840 1.00 22.52 C ATOM 0 H LEU A 36 -18.546 -1.684 -5.212 1.00 44.32 H new ATOM 0 HA LEU A 36 -20.177 -1.467 -7.586 1.00 14.35 H new ATOM 0 HB2 LEU A 36 -20.617 -2.713 -4.837 1.00 44.31 H new ATOM 0 HB3 LEU A 36 -21.611 -2.981 -6.255 1.00 44.31 H new ATOM 0 HG LEU A 36 -18.737 -3.803 -5.819 1.00 15.05 H new ATOM 0 HD11 LEU A 36 -19.688 -6.093 -6.246 1.00 40.33 H new ATOM 0 HD12 LEU A 36 -20.483 -5.291 -4.871 1.00 40.33 H new ATOM 0 HD13 LEU A 36 -21.297 -5.360 -6.452 1.00 40.33 H new ATOM 0 HD21 LEU A 36 -18.715 -4.817 -8.061 1.00 22.52 H new ATOM 0 HD22 LEU A 36 -20.286 -4.056 -8.409 1.00 22.52 H new ATOM 0 HD23 LEU A 36 -18.852 -3.043 -8.117 1.00 22.52 H new ATOM 587 N LYS A 37 -21.772 0.300 -6.953 1.00 54.30 N ATOM 588 CA LYS A 37 -22.869 1.202 -6.654 1.00 61.50 C ATOM 589 C LYS A 37 -24.084 0.386 -6.197 1.00 74.10 C ATOM 590 O LYS A 37 -23.997 -0.809 -5.913 1.00 63.30 O ATOM 591 CB LYS A 37 -23.167 2.042 -7.901 1.00 63.53 C ATOM 592 CG LYS A 37 -21.891 2.628 -8.519 1.00 13.12 C ATOM 593 CD LYS A 37 -22.213 3.555 -9.675 1.00 2.32 C ATOM 594 CE LYS A 37 -22.534 4.955 -9.136 1.00 32.25 C ATOM 595 NZ LYS A 37 -23.749 5.514 -9.752 1.00 35.45 N ATOM 0 H LYS A 37 -21.599 0.184 -7.951 1.00 54.30 H new ATOM 0 HA LYS A 37 -22.609 1.883 -5.843 1.00 61.50 H new ATOM 0 HB2 LYS A 37 -23.677 1.425 -8.640 1.00 63.53 H new ATOM 0 HB3 LYS A 37 -23.847 2.852 -7.638 1.00 63.53 H new ATOM 0 HG2 LYS A 37 -21.333 3.173 -7.758 1.00 13.12 H new ATOM 0 HG3 LYS A 37 -21.249 1.819 -8.867 1.00 13.12 H new ATOM 0 HD2 LYS A 37 -21.368 3.603 -10.362 1.00 2.32 H new ATOM 0 HD3 LYS A 37 -23.061 3.168 -10.240 1.00 2.32 H new ATOM 0 HE2 LYS A 37 -22.664 4.907 -8.055 1.00 32.25 H new ATOM 0 HE3 LYS A 37 -21.691 5.620 -9.327 1.00 32.25 H new ATOM 0 HZ1 LYS A 37 -23.932 6.460 -9.362 1.00 35.45 H new ATOM 0 HZ2 LYS A 37 -23.616 5.584 -10.781 1.00 35.45 H new ATOM 0 HZ3 LYS A 37 -24.558 4.893 -9.549 1.00 35.45 H new ATOM 609 N ASP A 38 -25.233 1.038 -6.120 1.00 13.33 N ATOM 610 CA ASP A 38 -26.545 0.461 -5.860 1.00 61.30 C ATOM 611 C ASP A 38 -27.152 -0.196 -7.113 1.00 21.13 C ATOM 612 O ASP A 38 -28.373 -0.328 -7.190 1.00 55.20 O ATOM 613 CB ASP A 38 -27.472 1.547 -5.277 1.00 15.14 C ATOM 614 CG ASP A 38 -27.753 2.743 -6.200 1.00 33.21 C ATOM 615 OD1 ASP A 38 -27.001 2.982 -7.171 1.00 24.21 O ATOM 616 OD2 ASP A 38 -28.642 3.556 -5.850 1.00 74.51 O ATOM 0 H ASP A 38 -25.278 2.049 -6.245 1.00 13.33 H new ATOM 0 HA ASP A 38 -26.432 -0.340 -5.129 1.00 61.30 H new ATOM 0 HB2 ASP A 38 -28.423 1.084 -5.012 1.00 15.14 H new ATOM 0 HB3 ASP A 38 -27.030 1.920 -4.353 1.00 15.14 H new ATOM 621 N ASP A 39 -26.342 -0.666 -8.072 1.00 2.34 N ATOM 622 CA ASP A 39 -26.788 -1.320 -9.308 1.00 1.13 C ATOM 623 C ASP A 39 -26.175 -2.730 -9.360 1.00 15.35 C ATOM 624 O ASP A 39 -25.934 -3.276 -10.436 1.00 13.04 O ATOM 625 CB ASP A 39 -26.399 -0.502 -10.548 1.00 20.11 C ATOM 626 CG ASP A 39 -27.197 0.769 -10.810 1.00 35.41 C ATOM 627 OD1 ASP A 39 -28.415 0.660 -11.081 1.00 72.22 O ATOM 628 OD2 ASP A 39 -26.563 1.845 -10.910 1.00 20.12 O ATOM 0 H ASP A 39 -25.326 -0.599 -8.006 1.00 2.34 H new ATOM 0 HA ASP A 39 -27.876 -1.390 -9.309 1.00 1.13 H new ATOM 0 HB2 ASP A 39 -25.347 -0.231 -10.460 1.00 20.11 H new ATOM 0 HB3 ASP A 39 -26.490 -1.146 -11.422 1.00 20.11 H new ATOM 633 N GLY A 40 -25.840 -3.308 -8.201 1.00 32.42 N ATOM 634 CA GLY A 40 -25.126 -4.571 -8.083 1.00 74.21 C ATOM 635 C GLY A 40 -23.748 -4.474 -8.728 1.00 41.34 C ATOM 636 O GLY A 40 -22.870 -3.806 -8.191 1.00 22.34 O ATOM 0 H GLY A 40 -26.068 -2.893 -7.297 1.00 32.42 H new ATOM 0 HA2 GLY A 40 -25.023 -4.839 -7.032 1.00 74.21 H new ATOM 0 HA3 GLY A 40 -25.701 -5.365 -8.559 1.00 74.21 H new ATOM 640 N GLU A 41 -23.540 -5.117 -9.876 1.00 55.14 N ATOM 641 CA GLU A 41 -22.238 -5.244 -10.522 1.00 62.34 C ATOM 642 C GLU A 41 -21.934 -4.032 -11.401 1.00 22.54 C ATOM 643 O GLU A 41 -21.833 -4.098 -12.630 1.00 71.24 O ATOM 644 CB GLU A 41 -22.082 -6.599 -11.207 1.00 43.14 C ATOM 645 CG GLU A 41 -23.131 -6.996 -12.251 1.00 44.43 C ATOM 646 CD GLU A 41 -22.613 -8.174 -13.078 1.00 63.41 C ATOM 647 OE1 GLU A 41 -22.503 -9.297 -12.524 1.00 60.30 O ATOM 648 OE2 GLU A 41 -22.275 -7.987 -14.265 1.00 2.45 O ATOM 0 H GLU A 41 -24.291 -5.574 -10.393 1.00 55.14 H new ATOM 0 HA GLU A 41 -21.461 -5.234 -9.758 1.00 62.34 H new ATOM 0 HB2 GLU A 41 -21.105 -6.620 -11.689 1.00 43.14 H new ATOM 0 HB3 GLU A 41 -22.072 -7.367 -10.433 1.00 43.14 H new ATOM 0 HG2 GLU A 41 -24.064 -7.267 -11.758 1.00 44.43 H new ATOM 0 HG3 GLU A 41 -23.349 -6.150 -12.902 1.00 44.43 H new ATOM 655 N THR A 42 -21.814 -2.894 -10.736 1.00 54.22 N ATOM 656 CA THR A 42 -21.574 -1.600 -11.352 1.00 14.24 C ATOM 657 C THR A 42 -20.077 -1.336 -11.492 1.00 15.03 C ATOM 658 O THR A 42 -19.306 -1.491 -10.543 1.00 4.21 O ATOM 659 CB THR A 42 -22.267 -0.481 -10.547 1.00 51.21 C ATOM 660 OG1 THR A 42 -23.147 -0.966 -9.549 1.00 62.12 O ATOM 661 CG2 THR A 42 -23.023 0.434 -11.508 1.00 14.33 C ATOM 0 H THR A 42 -21.883 -2.845 -9.720 1.00 54.22 H new ATOM 0 HA THR A 42 -22.004 -1.609 -12.354 1.00 14.24 H new ATOM 0 HB THR A 42 -21.485 0.069 -10.024 1.00 51.21 H new ATOM 0 HG1 THR A 42 -22.628 -1.282 -8.781 1.00 62.12 H new ATOM 0 HG21 THR A 42 -23.515 1.227 -10.944 1.00 14.33 H new ATOM 0 HG22 THR A 42 -22.323 0.874 -12.218 1.00 14.33 H new ATOM 0 HG23 THR A 42 -23.772 -0.145 -12.049 1.00 14.33 H new ATOM 669 N GLU A 43 -19.676 -0.873 -12.673 1.00 62.51 N ATOM 670 CA GLU A 43 -18.381 -0.261 -12.879 1.00 22.41 C ATOM 671 C GLU A 43 -18.488 1.184 -12.397 1.00 14.44 C ATOM 672 O GLU A 43 -19.256 1.994 -12.929 1.00 55.42 O ATOM 673 CB GLU A 43 -17.936 -0.399 -14.346 1.00 73.23 C ATOM 674 CG GLU A 43 -17.676 -1.884 -14.650 1.00 24.42 C ATOM 675 CD GLU A 43 -16.744 -2.160 -15.829 1.00 13.21 C ATOM 676 OE1 GLU A 43 -15.505 -2.099 -15.625 1.00 3.04 O ATOM 677 OE2 GLU A 43 -17.227 -2.577 -16.906 1.00 54.10 O ATOM 0 H GLU A 43 -20.250 -0.916 -13.515 1.00 62.51 H new ATOM 0 HA GLU A 43 -17.600 -0.762 -12.307 1.00 22.41 H new ATOM 0 HB2 GLU A 43 -18.705 -0.007 -15.012 1.00 73.23 H new ATOM 0 HB3 GLU A 43 -17.033 0.186 -14.523 1.00 73.23 H new ATOM 0 HG2 GLU A 43 -17.255 -2.351 -13.760 1.00 24.42 H new ATOM 0 HG3 GLU A 43 -18.632 -2.370 -14.843 1.00 24.42 H new ATOM 684 N GLN A 44 -17.742 1.506 -11.347 1.00 31.13 N ATOM 685 CA GLN A 44 -17.479 2.856 -10.891 1.00 53.22 C ATOM 686 C GLN A 44 -15.968 2.965 -10.719 1.00 32.24 C ATOM 687 O GLN A 44 -15.324 1.957 -10.435 1.00 62.10 O ATOM 688 CB GLN A 44 -18.188 3.072 -9.548 1.00 32.14 C ATOM 689 CG GLN A 44 -18.265 4.554 -9.160 1.00 21.32 C ATOM 690 CD GLN A 44 -18.468 4.797 -7.689 1.00 72.10 C ATOM 691 OE1 GLN A 44 -19.358 5.551 -7.312 1.00 11.24 O ATOM 692 NE2 GLN A 44 -17.586 4.279 -6.854 1.00 51.44 N ATOM 0 H GLN A 44 -17.287 0.800 -10.769 1.00 31.13 H new ATOM 0 HA GLN A 44 -17.841 3.606 -11.594 1.00 53.22 H new ATOM 0 HB2 GLN A 44 -19.196 2.660 -9.602 1.00 32.14 H new ATOM 0 HB3 GLN A 44 -17.660 2.522 -8.769 1.00 32.14 H new ATOM 0 HG2 GLN A 44 -17.346 5.049 -9.475 1.00 21.32 H new ATOM 0 HG3 GLN A 44 -19.083 5.020 -9.710 1.00 21.32 H new ATOM 0 HE21 GLN A 44 -16.859 3.655 -7.203 1.00 51.44 H new ATOM 0 HE22 GLN A 44 -17.632 4.503 -5.860 1.00 51.44 H new ATOM 701 N THR A 45 -15.395 4.165 -10.794 1.00 42.10 N ATOM 702 CA THR A 45 -14.024 4.391 -10.350 1.00 74.42 C ATOM 703 C THR A 45 -13.955 5.674 -9.523 1.00 63.24 C ATOM 704 O THR A 45 -14.834 6.537 -9.618 1.00 32.30 O ATOM 705 CB THR A 45 -13.059 4.390 -11.548 1.00 51.45 C ATOM 706 OG1 THR A 45 -13.441 5.366 -12.502 1.00 40.14 O ATOM 707 CG2 THR A 45 -12.971 3.013 -12.209 1.00 14.41 C ATOM 0 H THR A 45 -15.861 4.996 -11.159 1.00 42.10 H new ATOM 0 HA THR A 45 -13.705 3.574 -9.703 1.00 74.42 H new ATOM 0 HB THR A 45 -12.070 4.638 -11.163 1.00 51.45 H new ATOM 0 HG1 THR A 45 -12.814 5.350 -13.255 1.00 40.14 H new ATOM 0 HG21 THR A 45 -12.279 3.057 -13.050 1.00 14.41 H new ATOM 0 HG22 THR A 45 -12.614 2.283 -11.483 1.00 14.41 H new ATOM 0 HG23 THR A 45 -13.958 2.717 -12.566 1.00 14.41 H new ATOM 715 N PHE A 46 -12.931 5.788 -8.676 1.00 23.12 N ATOM 716 CA PHE A 46 -12.686 6.897 -7.757 1.00 72.24 C ATOM 717 C PHE A 46 -11.211 7.310 -7.901 1.00 24.10 C ATOM 718 O PHE A 46 -10.360 6.433 -8.093 1.00 35.10 O ATOM 719 CB PHE A 46 -12.991 6.461 -6.303 1.00 72.21 C ATOM 720 CG PHE A 46 -14.309 6.937 -5.700 1.00 22.11 C ATOM 721 CD1 PHE A 46 -15.531 6.809 -6.390 1.00 20.51 C ATOM 722 CD2 PHE A 46 -14.319 7.501 -4.408 1.00 62.54 C ATOM 723 CE1 PHE A 46 -16.722 7.314 -5.837 1.00 73.23 C ATOM 724 CE2 PHE A 46 -15.514 7.982 -3.847 1.00 72.33 C ATOM 725 CZ PHE A 46 -16.714 7.908 -4.568 1.00 14.04 C ATOM 0 H PHE A 46 -12.211 5.068 -8.610 1.00 23.12 H new ATOM 0 HA PHE A 46 -13.335 7.740 -7.993 1.00 72.24 H new ATOM 0 HB2 PHE A 46 -12.975 5.372 -6.265 1.00 72.21 H new ATOM 0 HB3 PHE A 46 -12.180 6.814 -5.666 1.00 72.21 H new ATOM 0 HD1 PHE A 46 -15.553 6.319 -7.352 1.00 20.51 H new ATOM 0 HD2 PHE A 46 -13.400 7.564 -3.844 1.00 62.54 H new ATOM 0 HE1 PHE A 46 -17.646 7.244 -6.392 1.00 73.23 H new ATOM 0 HE2 PHE A 46 -15.508 8.411 -2.856 1.00 72.33 H new ATOM 0 HZ PHE A 46 -17.626 8.306 -4.148 1.00 14.04 H new ATOM 735 N PRO A 47 -10.882 8.610 -7.789 1.00 62.42 N ATOM 736 CA PRO A 47 -9.513 9.100 -7.911 1.00 11.33 C ATOM 737 C PRO A 47 -8.664 8.698 -6.702 1.00 4.43 C ATOM 738 O PRO A 47 -9.016 9.001 -5.557 1.00 54.25 O ATOM 739 CB PRO A 47 -9.633 10.620 -8.071 1.00 44.41 C ATOM 740 CG PRO A 47 -10.964 10.960 -7.403 1.00 52.43 C ATOM 741 CD PRO A 47 -11.814 9.725 -7.686 1.00 54.15 C ATOM 0 HA PRO A 47 -8.999 8.663 -8.767 1.00 11.33 H new ATOM 0 HB2 PRO A 47 -8.802 11.138 -7.592 1.00 44.41 H new ATOM 0 HB3 PRO A 47 -9.628 10.912 -9.121 1.00 44.41 H new ATOM 0 HG2 PRO A 47 -10.846 11.133 -6.333 1.00 52.43 H new ATOM 0 HG3 PRO A 47 -11.409 11.862 -7.824 1.00 52.43 H new ATOM 0 HD2 PRO A 47 -12.536 9.557 -6.887 1.00 54.15 H new ATOM 0 HD3 PRO A 47 -12.382 9.845 -8.609 1.00 54.15 H new ATOM 749 N PHE A 48 -7.538 8.012 -6.927 1.00 74.42 N ATOM 750 CA PHE A 48 -6.639 7.659 -5.839 1.00 64.43 C ATOM 751 C PHE A 48 -5.740 8.843 -5.510 1.00 4.20 C ATOM 752 O PHE A 48 -5.029 9.321 -6.396 1.00 74.52 O ATOM 753 CB PHE A 48 -5.804 6.411 -6.146 1.00 4.33 C ATOM 754 CG PHE A 48 -5.561 5.634 -4.868 1.00 21.43 C ATOM 755 CD1 PHE A 48 -4.843 6.200 -3.792 1.00 53.15 C ATOM 756 CD2 PHE A 48 -6.182 4.387 -4.700 1.00 53.03 C ATOM 757 CE1 PHE A 48 -4.776 5.537 -2.556 1.00 14.32 C ATOM 758 CE2 PHE A 48 -6.149 3.750 -3.452 1.00 31.23 C ATOM 759 CZ PHE A 48 -5.452 4.322 -2.377 1.00 71.54 C ATOM 0 H PHE A 48 -7.235 7.695 -7.848 1.00 74.42 H new ATOM 0 HA PHE A 48 -7.252 7.415 -4.971 1.00 64.43 H new ATOM 0 HB2 PHE A 48 -6.322 5.784 -6.872 1.00 4.33 H new ATOM 0 HB3 PHE A 48 -4.853 6.699 -6.595 1.00 4.33 H new ATOM 0 HD1 PHE A 48 -4.342 7.148 -3.920 1.00 53.15 H new ATOM 0 HD2 PHE A 48 -6.685 3.918 -5.532 1.00 53.03 H new ATOM 0 HE1 PHE A 48 -4.204 5.963 -1.744 1.00 14.32 H new ATOM 0 HE2 PHE A 48 -6.665 2.811 -3.317 1.00 31.23 H new ATOM 0 HZ PHE A 48 -5.436 3.829 -1.416 1.00 71.54 H new ATOM 769 N THR A 49 -5.729 9.296 -4.255 1.00 34.21 N ATOM 770 CA THR A 49 -4.855 10.376 -3.799 1.00 61.41 C ATOM 771 C THR A 49 -4.293 10.068 -2.400 1.00 24.53 C ATOM 772 O THR A 49 -4.655 9.075 -1.767 1.00 73.23 O ATOM 773 CB THR A 49 -5.602 11.727 -3.876 1.00 23.21 C ATOM 774 OG1 THR A 49 -6.785 11.709 -3.098 1.00 60.52 O ATOM 775 CG2 THR A 49 -5.965 12.103 -5.321 1.00 44.01 C ATOM 0 H THR A 49 -6.331 8.920 -3.522 1.00 34.21 H new ATOM 0 HA THR A 49 -3.991 10.454 -4.460 1.00 61.41 H new ATOM 0 HB THR A 49 -4.916 12.475 -3.478 1.00 23.21 H new ATOM 0 HG1 THR A 49 -7.234 12.577 -3.165 1.00 60.52 H new ATOM 0 HG21 THR A 49 -6.488 13.059 -5.328 1.00 44.01 H new ATOM 0 HG22 THR A 49 -5.055 12.183 -5.916 1.00 44.01 H new ATOM 0 HG23 THR A 49 -6.609 11.334 -5.746 1.00 44.01 H new ATOM 783 N ARG A 50 -3.396 10.923 -1.900 1.00 33.51 N ATOM 784 CA ARG A 50 -2.764 10.835 -0.579 1.00 43.45 C ATOM 785 C ARG A 50 -3.799 10.872 0.536 1.00 2.43 C ATOM 786 O ARG A 50 -3.594 10.242 1.570 1.00 74.53 O ATOM 787 CB ARG A 50 -1.756 11.993 -0.467 1.00 52.32 C ATOM 788 CG ARG A 50 -1.127 12.170 0.924 1.00 73.54 C ATOM 789 CD ARG A 50 -0.121 13.321 0.872 1.00 35.14 C ATOM 790 NE ARG A 50 0.343 13.727 2.208 1.00 51.22 N ATOM 791 CZ ARG A 50 1.241 14.687 2.463 1.00 1.01 C ATOM 792 NH1 ARG A 50 1.780 15.394 1.472 1.00 14.34 N ATOM 793 NH2 ARG A 50 1.606 14.909 3.718 1.00 63.31 N ATOM 0 H ARG A 50 -3.075 11.734 -2.430 1.00 33.51 H new ATOM 0 HA ARG A 50 -2.245 9.883 -0.471 1.00 43.45 H new ATOM 0 HB2 ARG A 50 -0.959 11.833 -1.193 1.00 52.32 H new ATOM 0 HB3 ARG A 50 -2.258 12.920 -0.744 1.00 52.32 H new ATOM 0 HG2 ARG A 50 -1.900 12.379 1.663 1.00 73.54 H new ATOM 0 HG3 ARG A 50 -0.631 11.250 1.233 1.00 73.54 H new ATOM 0 HD2 ARG A 50 0.736 13.022 0.269 1.00 35.14 H new ATOM 0 HD3 ARG A 50 -0.578 14.176 0.375 1.00 35.14 H new ATOM 0 HE ARG A 50 -0.053 13.235 3.009 1.00 51.22 H new ATOM 0 HH11 ARG A 50 1.510 15.207 0.506 1.00 14.34 H new ATOM 0 HH12 ARG A 50 2.463 16.123 1.678 1.00 14.34 H new ATOM 0 HH21 ARG A 50 1.204 14.352 4.472 1.00 63.31 H new ATOM 0 HH22 ARG A 50 2.289 15.637 3.929 1.00 63.31 H new ATOM 807 N GLU A 51 -4.927 11.533 0.290 1.00 71.34 N ATOM 808 CA GLU A 51 -6.068 11.679 1.182 1.00 13.23 C ATOM 809 C GLU A 51 -6.718 10.330 1.557 1.00 33.21 C ATOM 810 O GLU A 51 -7.694 10.324 2.303 1.00 64.45 O ATOM 811 CB GLU A 51 -7.081 12.629 0.494 1.00 75.44 C ATOM 812 CG GLU A 51 -7.527 13.838 1.338 1.00 0.24 C ATOM 813 CD GLU A 51 -7.020 15.179 0.792 1.00 44.32 C ATOM 814 OE1 GLU A 51 -7.543 15.674 -0.234 1.00 33.43 O ATOM 815 OE2 GLU A 51 -6.119 15.784 1.434 1.00 4.01 O ATOM 0 H GLU A 51 -5.076 12.012 -0.598 1.00 71.34 H new ATOM 0 HA GLU A 51 -5.730 12.099 2.129 1.00 13.23 H new ATOM 0 HB2 GLU A 51 -6.638 12.996 -0.432 1.00 75.44 H new ATOM 0 HB3 GLU A 51 -7.965 12.053 0.218 1.00 75.44 H new ATOM 0 HG2 GLU A 51 -8.616 13.860 1.382 1.00 0.24 H new ATOM 0 HG3 GLU A 51 -7.169 13.711 2.360 1.00 0.24 H new ATOM 822 N LYS A 52 -6.234 9.188 1.041 1.00 3.02 N ATOM 823 CA LYS A 52 -6.786 7.845 1.215 1.00 3.21 C ATOM 824 C LYS A 52 -5.658 6.801 1.259 1.00 0.24 C ATOM 825 O LYS A 52 -5.835 5.669 0.819 1.00 41.03 O ATOM 826 CB LYS A 52 -7.880 7.606 0.169 1.00 24.42 C ATOM 827 CG LYS A 52 -7.405 7.753 -1.272 1.00 20.12 C ATOM 828 CD LYS A 52 -8.367 7.028 -2.203 1.00 13.14 C ATOM 829 CE LYS A 52 -9.740 7.669 -2.446 1.00 53.13 C ATOM 830 NZ LYS A 52 -9.675 9.092 -2.836 1.00 52.25 N ATOM 0 H LYS A 52 -5.397 9.183 0.458 1.00 3.02 H new ATOM 0 HA LYS A 52 -7.282 7.741 2.180 1.00 3.21 H new ATOM 0 HB2 LYS A 52 -8.286 6.604 0.306 1.00 24.42 H new ATOM 0 HB3 LYS A 52 -8.696 8.307 0.345 1.00 24.42 H new ATOM 0 HG2 LYS A 52 -7.348 8.808 -1.541 1.00 20.12 H new ATOM 0 HG3 LYS A 52 -6.401 7.342 -1.378 1.00 20.12 H new ATOM 0 HD2 LYS A 52 -7.875 6.911 -3.169 1.00 13.14 H new ATOM 0 HD3 LYS A 52 -8.530 6.027 -1.804 1.00 13.14 H new ATOM 0 HE2 LYS A 52 -10.257 7.112 -3.227 1.00 53.13 H new ATOM 0 HE3 LYS A 52 -10.338 7.578 -1.540 1.00 53.13 H new ATOM 0 HZ1 LYS A 52 -10.639 9.474 -2.917 1.00 52.25 H new ATOM 0 HZ2 LYS A 52 -9.150 9.626 -2.114 1.00 52.25 H new ATOM 0 HZ3 LYS A 52 -9.190 9.179 -3.752 1.00 52.25 H new ATOM 844 N TRP A 53 -4.468 7.194 1.733 1.00 62.51 N ATOM 845 CA TRP A 53 -3.324 6.299 1.884 1.00 53.12 C ATOM 846 C TRP A 53 -3.255 5.823 3.342 1.00 0.13 C ATOM 847 O TRP A 53 -3.074 6.659 4.234 1.00 33.30 O ATOM 848 CB TRP A 53 -2.027 7.019 1.467 1.00 11.41 C ATOM 849 CG TRP A 53 -0.746 6.273 1.725 1.00 20.22 C ATOM 850 CD1 TRP A 53 -0.108 6.231 2.915 1.00 11.43 C ATOM 851 CD2 TRP A 53 0.009 5.385 0.844 1.00 73.14 C ATOM 852 NE1 TRP A 53 0.975 5.374 2.838 1.00 33.30 N ATOM 853 CE2 TRP A 53 1.089 4.815 1.584 1.00 51.34 C ATOM 854 CE3 TRP A 53 -0.107 4.989 -0.508 1.00 63.35 C ATOM 855 CZ2 TRP A 53 1.964 3.862 1.035 1.00 23.53 C ATOM 856 CZ3 TRP A 53 0.789 4.047 -1.069 1.00 74.44 C ATOM 857 CH2 TRP A 53 1.809 3.445 -0.301 1.00 64.43 C ATOM 0 H TRP A 53 -4.276 8.153 2.024 1.00 62.51 H new ATOM 0 HA TRP A 53 -3.440 5.431 1.235 1.00 53.12 H new ATOM 0 HB2 TRP A 53 -2.086 7.243 0.402 1.00 11.41 H new ATOM 0 HB3 TRP A 53 -1.980 7.974 1.991 1.00 11.41 H new ATOM 0 HD1 TRP A 53 -0.400 6.784 3.795 1.00 11.43 H new ATOM 0 HE1 TRP A 53 1.610 5.180 3.613 1.00 33.30 H new ATOM 0 HE3 TRP A 53 -0.890 5.411 -1.121 1.00 63.35 H new ATOM 0 HZ2 TRP A 53 2.758 3.448 1.640 1.00 23.53 H new ATOM 0 HZ3 TRP A 53 0.689 3.782 -2.111 1.00 74.44 H new ATOM 0 HH2 TRP A 53 2.451 2.687 -0.725 1.00 64.43 H new ATOM 868 N ALA A 54 -3.347 4.514 3.602 1.00 41.14 N ATOM 869 CA ALA A 54 -2.982 3.925 4.895 1.00 75.11 C ATOM 870 C ALA A 54 -1.459 3.872 5.010 1.00 44.21 C ATOM 871 O ALA A 54 -0.802 3.452 4.052 1.00 3.31 O ATOM 872 CB ALA A 54 -3.539 2.502 5.005 1.00 72.11 C ATOM 0 H ALA A 54 -3.678 3.832 2.920 1.00 41.14 H new ATOM 0 HA ALA A 54 -3.400 4.537 5.694 1.00 75.11 H new ATOM 0 HB1 ALA A 54 -3.261 2.076 5.969 1.00 72.11 H new ATOM 0 HB2 ALA A 54 -4.625 2.529 4.920 1.00 72.11 H new ATOM 0 HB3 ALA A 54 -3.127 1.887 4.205 1.00 72.11 H new ATOM 878 N LEU A 55 -0.898 4.303 6.142 1.00 2.20 N ATOM 879 CA LEU A 55 0.515 4.111 6.459 1.00 13.33 C ATOM 880 C LEU A 55 0.809 2.611 6.566 1.00 32.23 C ATOM 881 O LEU A 55 -0.109 1.792 6.617 1.00 1.14 O ATOM 882 CB LEU A 55 0.915 4.913 7.721 1.00 53.43 C ATOM 883 CG LEU A 55 0.927 6.437 7.463 1.00 61.11 C ATOM 884 CD1 LEU A 55 1.091 7.240 8.751 1.00 63.02 C ATOM 885 CD2 LEU A 55 2.044 6.865 6.493 1.00 11.33 C ATOM 0 H LEU A 55 -1.416 4.798 6.868 1.00 2.20 H new ATOM 0 HA LEU A 55 1.136 4.507 5.656 1.00 13.33 H new ATOM 0 HB2 LEU A 55 0.218 4.688 8.529 1.00 53.43 H new ATOM 0 HB3 LEU A 55 1.903 4.595 8.054 1.00 53.43 H new ATOM 0 HG LEU A 55 -0.043 6.651 7.015 1.00 61.11 H new ATOM 0 HD11 LEU A 55 1.094 8.305 8.518 1.00 63.02 H new ATOM 0 HD12 LEU A 55 0.264 7.018 9.426 1.00 63.02 H new ATOM 0 HD13 LEU A 55 2.032 6.971 9.230 1.00 63.02 H new ATOM 0 HD21 LEU A 55 2.006 7.945 6.348 1.00 11.33 H new ATOM 0 HD22 LEU A 55 3.013 6.589 6.909 1.00 11.33 H new ATOM 0 HD23 LEU A 55 1.905 6.365 5.535 1.00 11.33 H new ATOM 897 N LEU A 56 2.089 2.238 6.514 1.00 14.43 N ATOM 898 CA LEU A 56 2.505 0.847 6.364 1.00 65.34 C ATOM 899 C LEU A 56 3.705 0.592 7.273 1.00 3.32 C ATOM 900 O LEU A 56 4.710 1.312 7.167 1.00 74.45 O ATOM 901 CB LEU A 56 2.872 0.538 4.899 1.00 22.42 C ATOM 902 CG LEU A 56 1.785 0.752 3.823 1.00 32.40 C ATOM 903 CD1 LEU A 56 2.385 0.626 2.416 1.00 51.52 C ATOM 904 CD2 LEU A 56 0.656 -0.275 3.917 1.00 4.40 C ATOM 0 H LEU A 56 2.866 2.896 6.575 1.00 14.43 H new ATOM 0 HA LEU A 56 1.680 0.193 6.646 1.00 65.34 H new ATOM 0 HB2 LEU A 56 3.732 1.152 4.633 1.00 22.42 H new ATOM 0 HB3 LEU A 56 3.195 -0.502 4.847 1.00 22.42 H new ATOM 0 HG LEU A 56 1.386 1.751 4.000 1.00 32.40 H new ATOM 0 HD11 LEU A 56 1.603 0.780 1.672 1.00 51.52 H new ATOM 0 HD12 LEU A 56 3.164 1.377 2.284 1.00 51.52 H new ATOM 0 HD13 LEU A 56 2.814 -0.368 2.291 1.00 51.52 H new ATOM 0 HD21 LEU A 56 -0.081 -0.078 3.138 1.00 4.40 H new ATOM 0 HD22 LEU A 56 1.064 -1.277 3.786 1.00 4.40 H new ATOM 0 HD23 LEU A 56 0.179 -0.202 4.894 1.00 4.40 H new ATOM 916 N ASP A 57 3.580 -0.397 8.159 1.00 65.22 N ATOM 917 CA ASP A 57 4.548 -0.752 9.192 1.00 32.30 C ATOM 918 C ASP A 57 5.610 -1.703 8.623 1.00 31.23 C ATOM 919 O ASP A 57 5.522 -2.201 7.498 1.00 63.43 O ATOM 920 CB ASP A 57 3.867 -1.452 10.392 1.00 53.12 C ATOM 921 CG ASP A 57 2.831 -0.631 11.170 1.00 12.31 C ATOM 922 OD1 ASP A 57 1.855 -0.136 10.567 1.00 5.41 O ATOM 923 OD2 ASP A 57 2.976 -0.542 12.413 1.00 14.30 O ATOM 0 H ASP A 57 2.758 -1.001 8.174 1.00 65.22 H new ATOM 0 HA ASP A 57 5.009 0.176 9.531 1.00 32.30 H new ATOM 0 HB2 ASP A 57 3.380 -2.356 10.027 1.00 53.12 H new ATOM 0 HB3 ASP A 57 4.644 -1.767 11.088 1.00 53.12 H new ATOM 928 N GLU A 58 6.631 -2.007 9.422 1.00 34.14 N ATOM 929 CA GLU A 58 7.724 -2.875 9.042 1.00 43.31 C ATOM 930 C GLU A 58 7.313 -4.345 8.940 1.00 24.41 C ATOM 931 O GLU A 58 7.785 -5.037 8.037 1.00 13.12 O ATOM 932 CB GLU A 58 8.873 -2.625 10.022 1.00 62.13 C ATOM 933 CG GLU A 58 10.189 -3.062 9.393 1.00 70.11 C ATOM 934 CD GLU A 58 11.387 -2.293 9.958 1.00 54.32 C ATOM 935 OE1 GLU A 58 11.399 -1.040 9.866 1.00 5.32 O ATOM 936 OE2 GLU A 58 12.350 -2.922 10.446 1.00 1.44 O ATOM 0 H GLU A 58 6.715 -1.644 10.372 1.00 34.14 H new ATOM 0 HA GLU A 58 8.055 -2.636 8.031 1.00 43.31 H new ATOM 0 HB2 GLU A 58 8.917 -1.568 10.283 1.00 62.13 H new ATOM 0 HB3 GLU A 58 8.701 -3.175 10.947 1.00 62.13 H new ATOM 0 HG2 GLU A 58 10.333 -4.129 9.562 1.00 70.11 H new ATOM 0 HG3 GLU A 58 10.141 -2.913 8.314 1.00 70.11 H new ATOM 943 N GLU A 59 6.404 -4.807 9.805 1.00 31.33 N ATOM 944 CA GLU A 59 5.740 -6.101 9.627 1.00 42.55 C ATOM 945 C GLU A 59 4.804 -6.098 8.412 1.00 32.12 C ATOM 946 O GLU A 59 4.517 -7.172 7.877 1.00 21.04 O ATOM 947 CB GLU A 59 4.937 -6.543 10.870 1.00 13.13 C ATOM 948 CG GLU A 59 5.718 -7.496 11.785 1.00 43.42 C ATOM 949 CD GLU A 59 4.807 -8.328 12.703 1.00 50.52 C ATOM 950 OE1 GLU A 59 4.221 -9.343 12.235 1.00 3.41 O ATOM 951 OE2 GLU A 59 4.710 -8.018 13.910 1.00 74.13 O ATOM 0 H GLU A 59 6.111 -4.300 10.640 1.00 31.33 H new ATOM 0 HA GLU A 59 6.548 -6.815 9.467 1.00 42.55 H new ATOM 0 HB2 GLU A 59 4.645 -5.660 11.439 1.00 13.13 H new ATOM 0 HB3 GLU A 59 4.018 -7.032 10.546 1.00 13.13 H new ATOM 0 HG2 GLU A 59 6.319 -8.168 11.172 1.00 43.42 H new ATOM 0 HG3 GLU A 59 6.410 -6.918 12.397 1.00 43.42 H new ATOM 958 N THR A 60 4.304 -4.942 7.969 1.00 22.02 N ATOM 959 CA THR A 60 3.433 -4.877 6.806 1.00 2.14 C ATOM 960 C THR A 60 4.268 -5.164 5.558 1.00 61.23 C ATOM 961 O THR A 60 3.966 -6.102 4.812 1.00 54.13 O ATOM 962 CB THR A 60 2.719 -3.517 6.745 1.00 44.24 C ATOM 963 OG1 THR A 60 2.146 -3.197 7.996 1.00 12.20 O ATOM 964 CG2 THR A 60 1.611 -3.507 5.702 1.00 64.42 C ATOM 0 H THR A 60 4.492 -4.039 8.404 1.00 22.02 H new ATOM 0 HA THR A 60 2.647 -5.630 6.871 1.00 2.14 H new ATOM 0 HB THR A 60 3.475 -2.781 6.474 1.00 44.24 H new ATOM 0 HG1 THR A 60 1.449 -2.519 7.873 1.00 12.20 H new ATOM 0 HG21 THR A 60 1.131 -2.528 5.690 1.00 64.42 H new ATOM 0 HG22 THR A 60 2.034 -3.715 4.719 1.00 64.42 H new ATOM 0 HG23 THR A 60 0.873 -4.270 5.948 1.00 64.42 H new ATOM 972 N LEU A 61 5.364 -4.423 5.344 1.00 34.01 N ATOM 973 CA LEU A 61 6.281 -4.671 4.242 1.00 52.43 C ATOM 974 C LEU A 61 7.301 -5.680 4.756 1.00 70.32 C ATOM 975 O LEU A 61 8.503 -5.385 4.820 1.00 54.12 O ATOM 976 CB LEU A 61 6.967 -3.395 3.698 1.00 21.32 C ATOM 977 CG LEU A 61 6.158 -2.382 2.864 1.00 65.02 C ATOM 978 CD1 LEU A 61 5.409 -2.977 1.662 1.00 51.51 C ATOM 979 CD2 LEU A 61 5.181 -1.603 3.730 1.00 25.04 C ATOM 0 H LEU A 61 5.633 -3.636 5.935 1.00 34.01 H new ATOM 0 HA LEU A 61 5.726 -5.054 3.386 1.00 52.43 H new ATOM 0 HB2 LEU A 61 7.377 -2.857 4.553 1.00 21.32 H new ATOM 0 HB3 LEU A 61 7.812 -3.716 3.088 1.00 21.32 H new ATOM 0 HG LEU A 61 6.916 -1.716 2.453 1.00 65.02 H new ATOM 0 HD11 LEU A 61 4.871 -2.185 1.140 1.00 51.51 H new ATOM 0 HD12 LEU A 61 6.123 -3.440 0.981 1.00 51.51 H new ATOM 0 HD13 LEU A 61 4.701 -3.729 2.010 1.00 51.51 H new ATOM 0 HD21 LEU A 61 4.627 -0.898 3.110 1.00 25.04 H new ATOM 0 HD22 LEU A 61 4.484 -2.294 4.204 1.00 25.04 H new ATOM 0 HD23 LEU A 61 5.730 -1.058 4.498 1.00 25.04 H new ATOM 991 N LYS A 62 6.839 -6.890 5.081 1.00 50.32 N ATOM 992 CA LYS A 62 7.702 -8.031 5.315 1.00 25.14 C ATOM 993 C LYS A 62 7.331 -9.133 4.348 1.00 4.24 C ATOM 994 O LYS A 62 6.154 -9.387 4.098 1.00 74.04 O ATOM 995 CB LYS A 62 7.548 -8.561 6.738 1.00 33.44 C ATOM 996 CG LYS A 62 8.821 -8.479 7.579 1.00 63.43 C ATOM 997 CD LYS A 62 8.567 -9.112 8.958 1.00 14.41 C ATOM 998 CE LYS A 62 9.606 -8.679 9.997 1.00 32.11 C ATOM 999 NZ LYS A 62 10.850 -9.480 9.980 1.00 53.11 N ATOM 0 H LYS A 62 5.846 -7.098 5.188 1.00 50.32 H new ATOM 0 HA LYS A 62 8.735 -7.714 5.171 1.00 25.14 H new ATOM 0 HB2 LYS A 62 6.759 -8.001 7.239 1.00 33.44 H new ATOM 0 HB3 LYS A 62 7.222 -9.600 6.693 1.00 33.44 H new ATOM 0 HG2 LYS A 62 9.637 -8.996 7.074 1.00 63.43 H new ATOM 0 HG3 LYS A 62 9.126 -7.439 7.695 1.00 63.43 H new ATOM 0 HD2 LYS A 62 7.572 -8.834 9.305 1.00 14.41 H new ATOM 0 HD3 LYS A 62 8.580 -10.198 8.865 1.00 14.41 H new ATOM 0 HE2 LYS A 62 9.859 -7.632 9.828 1.00 32.11 H new ATOM 0 HE3 LYS A 62 9.160 -8.743 10.989 1.00 32.11 H new ATOM 0 HZ1 LYS A 62 11.501 -9.126 10.710 1.00 53.11 H new ATOM 0 HZ2 LYS A 62 10.624 -10.477 10.172 1.00 53.11 H new ATOM 0 HZ3 LYS A 62 11.301 -9.401 9.046 1.00 53.11 H new ATOM 1013 N GLU A 63 8.352 -9.843 3.919 1.00 33.10 N ATOM 1014 CA GLU A 63 8.303 -10.976 3.013 1.00 72.14 C ATOM 1015 C GLU A 63 8.237 -12.227 3.884 1.00 23.21 C ATOM 1016 O GLU A 63 9.092 -12.390 4.761 1.00 74.41 O ATOM 1017 CB GLU A 63 9.530 -11.036 2.071 1.00 44.42 C ATOM 1018 CG GLU A 63 10.072 -9.698 1.540 1.00 2.14 C ATOM 1019 CD GLU A 63 11.069 -9.027 2.502 1.00 1.32 C ATOM 1020 OE1 GLU A 63 10.635 -8.422 3.514 1.00 42.12 O ATOM 1021 OE2 GLU A 63 12.295 -9.061 2.273 1.00 61.02 O ATOM 0 H GLU A 63 9.305 -9.631 4.213 1.00 33.10 H new ATOM 0 HA GLU A 63 7.433 -10.889 2.362 1.00 72.14 H new ATOM 0 HB2 GLU A 63 10.338 -11.542 2.600 1.00 44.42 H new ATOM 0 HB3 GLU A 63 9.269 -11.659 1.215 1.00 44.42 H new ATOM 0 HG2 GLU A 63 10.559 -9.866 0.580 1.00 2.14 H new ATOM 0 HG3 GLU A 63 9.237 -9.020 1.360 1.00 2.14 H new ATOM 1028 N GLY A 64 7.254 -13.102 3.674 1.00 44.52 N ATOM 1029 CA GLY A 64 7.051 -14.287 4.489 1.00 14.44 C ATOM 1030 C GLY A 64 5.753 -15.008 4.123 1.00 65.32 C ATOM 1031 O GLY A 64 4.953 -14.488 3.341 1.00 10.13 O ATOM 0 H GLY A 64 6.571 -13.002 2.923 1.00 44.52 H new ATOM 0 HA2 GLY A 64 7.894 -14.966 4.360 1.00 14.44 H new ATOM 0 HA3 GLY A 64 7.027 -14.005 5.542 1.00 14.44 H new ATOM 1035 N ARG A 65 5.523 -16.195 4.697 1.00 10.22 N ATOM 1036 CA ARG A 65 4.217 -16.848 4.713 1.00 24.31 C ATOM 1037 C ARG A 65 3.737 -16.921 6.150 1.00 4.55 C ATOM 1038 O ARG A 65 4.539 -17.170 7.054 1.00 2.14 O ATOM 1039 CB ARG A 65 4.279 -18.277 4.153 1.00 22.31 C ATOM 1040 CG ARG A 65 4.807 -18.374 2.719 1.00 23.21 C ATOM 1041 CD ARG A 65 4.348 -19.680 2.059 1.00 5.44 C ATOM 1042 NE ARG A 65 5.037 -20.881 2.581 1.00 45.54 N ATOM 1043 CZ ARG A 65 5.456 -21.941 1.872 1.00 24.24 C ATOM 1044 NH1 ARG A 65 5.376 -21.970 0.546 1.00 2.35 N ATOM 1045 NH2 ARG A 65 5.989 -22.985 2.495 1.00 64.33 N ATOM 0 H ARG A 65 6.251 -16.732 5.168 1.00 10.22 H new ATOM 0 HA ARG A 65 3.540 -16.266 4.087 1.00 24.31 H new ATOM 0 HB2 ARG A 65 4.913 -18.881 4.802 1.00 22.31 H new ATOM 0 HB3 ARG A 65 3.280 -18.712 4.189 1.00 22.31 H new ATOM 0 HG2 ARG A 65 4.453 -17.523 2.137 1.00 23.21 H new ATOM 0 HG3 ARG A 65 5.896 -18.326 2.723 1.00 23.21 H new ATOM 0 HD2 ARG A 65 3.274 -19.794 2.207 1.00 5.44 H new ATOM 0 HD3 ARG A 65 4.516 -19.613 0.984 1.00 5.44 H new ATOM 0 HE ARG A 65 5.212 -20.906 3.586 1.00 45.54 H new ATOM 0 HH11 ARG A 65 4.988 -21.173 0.041 1.00 2.35 H new ATOM 0 HH12 ARG A 65 5.702 -22.789 0.033 1.00 2.35 H new ATOM 0 HH21 ARG A 65 6.080 -22.981 3.511 1.00 64.33 H new ATOM 0 HH22 ARG A 65 6.308 -23.791 1.958 1.00 64.33 H new ATOM 1059 N THR A 66 2.434 -16.890 6.359 1.00 14.33 N ATOM 1060 CA THR A 66 1.785 -16.951 7.663 1.00 1.44 C ATOM 1061 C THR A 66 1.046 -18.300 7.786 1.00 64.34 C ATOM 1062 O THR A 66 0.924 -19.029 6.794 1.00 72.11 O ATOM 1063 CB THR A 66 0.895 -15.698 7.793 1.00 1.31 C ATOM 1064 OG1 THR A 66 1.631 -14.544 7.388 1.00 2.52 O ATOM 1065 CG2 THR A 66 0.368 -15.434 9.202 1.00 13.35 C ATOM 0 H THR A 66 1.766 -16.818 5.592 1.00 14.33 H new ATOM 0 HA THR A 66 2.484 -16.928 8.499 1.00 1.44 H new ATOM 0 HB THR A 66 0.034 -15.893 7.154 1.00 1.31 H new ATOM 0 HG1 THR A 66 1.064 -13.749 7.469 1.00 2.52 H new ATOM 0 HG21 THR A 66 -0.247 -14.534 9.198 1.00 13.35 H new ATOM 0 HG22 THR A 66 -0.232 -16.282 9.531 1.00 13.35 H new ATOM 0 HG23 THR A 66 1.207 -15.297 9.884 1.00 13.35 H new ATOM 1146 N THR A 73 -3.498 -18.900 5.157 1.00 5.33 N ATOM 1147 CA THR A 73 -2.093 -18.745 4.854 1.00 34.21 C ATOM 1148 C THR A 73 -1.978 -17.454 4.047 1.00 33.14 C ATOM 1149 O THR A 73 -2.273 -17.426 2.852 1.00 50.11 O ATOM 1150 CB THR A 73 -1.599 -20.006 4.119 1.00 41.34 C ATOM 1151 OG1 THR A 73 -1.446 -21.071 5.047 1.00 21.51 O ATOM 1152 CG2 THR A 73 -0.270 -19.798 3.402 1.00 33.52 C ATOM 0 HA THR A 73 -1.456 -18.657 5.734 1.00 34.21 H new ATOM 0 HB THR A 73 -2.351 -20.240 3.366 1.00 41.34 H new ATOM 0 HG1 THR A 73 -1.133 -21.872 4.577 1.00 21.51 H new ATOM 0 HG21 THR A 73 0.023 -20.722 2.904 1.00 33.52 H new ATOM 0 HG22 THR A 73 -0.376 -19.005 2.662 1.00 33.52 H new ATOM 0 HG23 THR A 73 0.494 -19.518 4.127 1.00 33.52 H new ATOM 1160 N TYR A 74 -1.600 -16.373 4.725 1.00 65.12 N ATOM 1161 CA TYR A 74 -1.187 -15.137 4.075 1.00 41.43 C ATOM 1162 C TYR A 74 0.226 -15.332 3.510 1.00 50.03 C ATOM 1163 O TYR A 74 1.041 -16.025 4.124 1.00 73.32 O ATOM 1164 CB TYR A 74 -1.243 -14.003 5.110 1.00 71.11 C ATOM 1165 CG TYR A 74 -1.095 -12.595 4.570 1.00 61.33 C ATOM 1166 CD1 TYR A 74 -1.869 -12.177 3.474 1.00 53.31 C ATOM 1167 CD2 TYR A 74 -0.243 -11.677 5.214 1.00 52.41 C ATOM 1168 CE1 TYR A 74 -1.765 -10.861 2.991 1.00 25.22 C ATOM 1169 CE2 TYR A 74 -0.147 -10.352 4.746 1.00 30.40 C ATOM 1170 CZ TYR A 74 -0.912 -9.939 3.633 1.00 44.31 C ATOM 1171 OH TYR A 74 -0.849 -8.653 3.189 1.00 41.41 O ATOM 0 H TYR A 74 -1.572 -16.332 5.744 1.00 65.12 H new ATOM 0 HA TYR A 74 -1.848 -14.876 3.248 1.00 41.43 H new ATOM 0 HB2 TYR A 74 -2.194 -14.069 5.639 1.00 71.11 H new ATOM 0 HB3 TYR A 74 -0.457 -14.172 5.846 1.00 71.11 H new ATOM 0 HD1 TYR A 74 -2.548 -12.871 3.000 1.00 53.31 H new ATOM 0 HD2 TYR A 74 0.338 -11.990 6.069 1.00 52.41 H new ATOM 0 HE1 TYR A 74 -2.338 -10.556 2.128 1.00 25.22 H new ATOM 0 HE2 TYR A 74 0.512 -9.652 5.238 1.00 30.40 H new ATOM 0 HH TYR A 74 -0.216 -8.147 3.740 1.00 41.41 H new ATOM 1181 N ILE A 75 0.548 -14.744 2.359 1.00 74.54 N ATOM 1182 CA ILE A 75 1.825 -14.864 1.664 1.00 10.14 C ATOM 1183 C ILE A 75 2.160 -13.479 1.119 1.00 2.10 C ATOM 1184 O ILE A 75 1.408 -12.908 0.326 1.00 44.42 O ATOM 1185 CB ILE A 75 1.755 -15.928 0.539 1.00 54.42 C ATOM 1186 CG1 ILE A 75 1.423 -17.321 1.127 1.00 22.44 C ATOM 1187 CG2 ILE A 75 3.085 -15.954 -0.254 1.00 73.43 C ATOM 1188 CD1 ILE A 75 1.130 -18.422 0.103 1.00 13.02 C ATOM 0 H ILE A 75 -0.109 -14.141 1.863 1.00 74.54 H new ATOM 0 HA ILE A 75 2.608 -15.203 2.342 1.00 10.14 H new ATOM 0 HB ILE A 75 0.954 -15.661 -0.150 1.00 54.42 H new ATOM 0 HG12 ILE A 75 2.259 -17.641 1.748 1.00 22.44 H new ATOM 0 HG13 ILE A 75 0.558 -17.221 1.783 1.00 22.44 H new ATOM 0 HG21 ILE A 75 3.024 -16.705 -1.042 1.00 73.43 H new ATOM 0 HG22 ILE A 75 3.262 -14.975 -0.699 1.00 73.43 H new ATOM 0 HG23 ILE A 75 3.906 -16.200 0.420 1.00 73.43 H new ATOM 0 HD11 ILE A 75 0.910 -19.354 0.624 1.00 13.02 H new ATOM 0 HD12 ILE A 75 0.272 -18.135 -0.504 1.00 13.02 H new ATOM 0 HD13 ILE A 75 1.999 -18.562 -0.540 1.00 13.02 H new ATOM 1200 N SER A 76 3.315 -12.953 1.510 1.00 44.44 N ATOM 1201 CA SER A 76 3.798 -11.636 1.131 1.00 4.30 C ATOM 1202 C SER A 76 5.204 -11.793 0.568 1.00 5.24 C ATOM 1203 O SER A 76 6.021 -12.499 1.170 1.00 22.10 O ATOM 1204 CB SER A 76 3.850 -10.750 2.378 1.00 74.15 C ATOM 1205 OG SER A 76 2.671 -10.813 3.158 1.00 34.24 O ATOM 0 H SER A 76 3.962 -13.452 2.121 1.00 44.44 H new ATOM 0 HA SER A 76 3.141 -11.183 0.389 1.00 4.30 H new ATOM 0 HB2 SER A 76 4.700 -11.048 2.992 1.00 74.15 H new ATOM 0 HB3 SER A 76 4.022 -9.717 2.075 1.00 74.15 H new ATOM 0 HG SER A 76 2.764 -10.229 3.939 1.00 34.24 H new ATOM 1211 N HIS A 77 5.528 -11.133 -0.542 1.00 73.45 N ATOM 1212 CA HIS A 77 6.905 -10.966 -0.984 1.00 32.11 C ATOM 1213 C HIS A 77 6.993 -9.755 -1.908 1.00 65.34 C ATOM 1214 O HIS A 77 6.089 -8.921 -1.932 1.00 53.33 O ATOM 1215 CB HIS A 77 7.490 -12.282 -1.549 1.00 73.23 C ATOM 1216 CG HIS A 77 7.079 -12.797 -2.908 1.00 74.11 C ATOM 1217 ND1 HIS A 77 7.980 -13.272 -3.833 1.00 52.44 N ATOM 1218 CD2 HIS A 77 5.821 -13.004 -3.419 1.00 63.52 C ATOM 1219 CE1 HIS A 77 7.296 -13.744 -4.879 1.00 65.43 C ATOM 1220 NE2 HIS A 77 5.978 -13.601 -4.669 1.00 50.31 N ATOM 0 H HIS A 77 4.841 -10.700 -1.159 1.00 73.45 H new ATOM 0 HA HIS A 77 7.554 -10.748 -0.136 1.00 32.11 H new ATOM 0 HB2 HIS A 77 8.574 -12.168 -1.565 1.00 73.23 H new ATOM 0 HB3 HIS A 77 7.263 -13.067 -0.828 1.00 73.23 H new ATOM 0 HD2 HIS A 77 4.886 -12.752 -2.942 1.00 63.52 H new ATOM 0 HE1 HIS A 77 7.739 -14.177 -5.764 1.00 65.43 H new ATOM 0 HE2 HIS A 77 5.230 -13.878 -5.305 1.00 50.31 H new ATOM 1228 N PHE A 78 8.094 -9.635 -2.641 1.00 44.53 N ATOM 1229 CA PHE A 78 8.176 -8.849 -3.853 1.00 10.30 C ATOM 1230 C PHE A 78 8.552 -9.852 -4.945 1.00 10.31 C ATOM 1231 O PHE A 78 9.476 -10.647 -4.745 1.00 43.55 O ATOM 1232 CB PHE A 78 9.205 -7.736 -3.651 1.00 21.11 C ATOM 1233 CG PHE A 78 10.609 -8.211 -3.373 1.00 3.14 C ATOM 1234 CD1 PHE A 78 11.012 -8.534 -2.064 1.00 31.11 C ATOM 1235 CD2 PHE A 78 11.468 -8.435 -4.459 1.00 21.22 C ATOM 1236 CE1 PHE A 78 12.269 -9.124 -1.846 1.00 53.13 C ATOM 1237 CE2 PHE A 78 12.708 -9.056 -4.242 1.00 61.42 C ATOM 1238 CZ PHE A 78 13.109 -9.404 -2.938 1.00 43.53 C ATOM 0 H PHE A 78 8.972 -10.095 -2.398 1.00 44.53 H new ATOM 0 HA PHE A 78 7.250 -8.343 -4.128 1.00 10.30 H new ATOM 0 HB2 PHE A 78 9.219 -7.108 -4.542 1.00 21.11 H new ATOM 0 HB3 PHE A 78 8.880 -7.106 -2.823 1.00 21.11 H new ATOM 0 HD1 PHE A 78 10.358 -8.329 -1.230 1.00 31.11 H new ATOM 0 HD2 PHE A 78 11.178 -8.132 -5.454 1.00 21.22 H new ATOM 0 HE1 PHE A 78 12.589 -9.362 -0.842 1.00 53.13 H new ATOM 0 HE2 PHE A 78 13.357 -9.268 -5.079 1.00 61.42 H new ATOM 0 HZ PHE A 78 14.062 -9.886 -2.777 1.00 43.53 H new ATOM 1248 N THR A 79 7.823 -9.882 -6.060 1.00 64.15 N ATOM 1249 CA THR A 79 8.163 -10.782 -7.154 1.00 31.52 C ATOM 1250 C THR A 79 9.326 -10.170 -7.956 1.00 65.35 C ATOM 1251 O THR A 79 10.212 -10.885 -8.424 1.00 14.14 O ATOM 1252 CB THR A 79 6.928 -11.071 -8.037 1.00 13.30 C ATOM 1253 OG1 THR A 79 6.402 -9.883 -8.575 1.00 12.02 O ATOM 1254 CG2 THR A 79 5.740 -11.774 -7.356 1.00 30.43 C ATOM 0 H THR A 79 7.003 -9.299 -6.226 1.00 64.15 H new ATOM 0 HA THR A 79 8.485 -11.745 -6.757 1.00 31.52 H new ATOM 0 HB THR A 79 7.338 -11.751 -8.784 1.00 13.30 H new ATOM 0 HG1 THR A 79 5.623 -10.093 -9.131 1.00 12.02 H new ATOM 0 HG21 THR A 79 4.939 -11.919 -8.081 1.00 30.43 H new ATOM 0 HG22 THR A 79 6.062 -12.742 -6.972 1.00 30.43 H new ATOM 0 HG23 THR A 79 5.377 -11.159 -6.532 1.00 30.43 H new ATOM 1262 N VAL A 80 9.334 -8.844 -8.101 1.00 55.02 N ATOM 1263 CA VAL A 80 10.094 -8.114 -9.114 1.00 22.50 C ATOM 1264 C VAL A 80 11.466 -7.771 -8.541 1.00 42.42 C ATOM 1265 O VAL A 80 11.551 -7.060 -7.539 1.00 21.44 O ATOM 1266 CB VAL A 80 9.301 -6.863 -9.547 1.00 2.22 C ATOM 1267 CG1 VAL A 80 9.959 -6.130 -10.723 1.00 24.44 C ATOM 1268 CG2 VAL A 80 7.868 -7.246 -9.928 1.00 43.02 C ATOM 0 H VAL A 80 8.792 -8.228 -7.495 1.00 55.02 H new ATOM 0 HA VAL A 80 10.247 -8.721 -10.006 1.00 22.50 H new ATOM 0 HB VAL A 80 9.293 -6.186 -8.693 1.00 2.22 H new ATOM 0 HG11 VAL A 80 9.362 -5.258 -10.988 1.00 24.44 H new ATOM 0 HG12 VAL A 80 10.961 -5.810 -10.438 1.00 24.44 H new ATOM 0 HG13 VAL A 80 10.023 -6.801 -11.580 1.00 24.44 H new ATOM 0 HG21 VAL A 80 7.321 -6.353 -10.231 1.00 43.02 H new ATOM 0 HG22 VAL A 80 7.889 -7.957 -10.754 1.00 43.02 H new ATOM 0 HG23 VAL A 80 7.373 -7.701 -9.070 1.00 43.02 H new ATOM 1278 N ASN A 81 12.541 -8.282 -9.146 1.00 55.45 N ATOM 1279 CA ASN A 81 13.882 -8.226 -8.576 1.00 53.54 C ATOM 1280 C ASN A 81 14.865 -7.673 -9.601 1.00 52.32 C ATOM 1281 O ASN A 81 15.570 -8.403 -10.299 1.00 61.12 O ATOM 1282 CB ASN A 81 14.273 -9.626 -8.087 1.00 60.11 C ATOM 1283 CG ASN A 81 15.585 -9.637 -7.320 1.00 74.35 C ATOM 1284 OD1 ASN A 81 16.530 -10.340 -7.662 1.00 52.44 O ATOM 1285 ND2 ASN A 81 15.642 -8.935 -6.198 1.00 25.34 N ATOM 0 H ASN A 81 12.501 -8.749 -10.052 1.00 55.45 H new ATOM 0 HA ASN A 81 13.905 -7.550 -7.721 1.00 53.54 H new ATOM 0 HB2 ASN A 81 13.481 -10.017 -7.449 1.00 60.11 H new ATOM 0 HB3 ASN A 81 14.352 -10.296 -8.943 1.00 60.11 H new ATOM 0 HD21 ASN A 81 16.476 -8.977 -5.612 1.00 25.34 H new ATOM 0 HD22 ASN A 81 14.852 -8.353 -5.920 1.00 25.34 H new ATOM 1292 N GLU A 82 14.874 -6.351 -9.695 1.00 32.34 N ATOM 1293 CA GLU A 82 15.734 -5.534 -10.548 1.00 15.41 C ATOM 1294 C GLU A 82 16.616 -4.659 -9.641 1.00 60.24 C ATOM 1295 O GLU A 82 16.450 -4.702 -8.421 1.00 1.53 O ATOM 1296 CB GLU A 82 14.882 -4.762 -11.570 1.00 34.04 C ATOM 1297 CG GLU A 82 13.933 -5.670 -12.365 1.00 34.11 C ATOM 1298 CD GLU A 82 13.751 -5.185 -13.804 1.00 24.44 C ATOM 1299 OE1 GLU A 82 13.054 -4.173 -14.023 1.00 71.33 O ATOM 1300 OE2 GLU A 82 14.246 -5.877 -14.732 1.00 44.41 O ATOM 0 H GLU A 82 14.238 -5.779 -9.140 1.00 32.34 H new ATOM 0 HA GLU A 82 16.409 -6.141 -11.152 1.00 15.41 H new ATOM 0 HB2 GLU A 82 14.299 -4.003 -11.049 1.00 34.04 H new ATOM 0 HB3 GLU A 82 15.541 -4.238 -12.263 1.00 34.04 H new ATOM 0 HG2 GLU A 82 14.325 -6.687 -12.372 1.00 34.11 H new ATOM 0 HG3 GLU A 82 12.963 -5.705 -11.868 1.00 34.11 H new ATOM 1307 N PRO A 83 17.656 -3.976 -10.142 1.00 21.10 N ATOM 1308 CA PRO A 83 18.298 -2.905 -9.386 1.00 35.01 C ATOM 1309 C PRO A 83 17.325 -1.774 -8.985 1.00 43.21 C ATOM 1310 O PRO A 83 17.352 -1.367 -7.827 1.00 32.04 O ATOM 1311 CB PRO A 83 19.453 -2.413 -10.265 1.00 55.23 C ATOM 1312 CG PRO A 83 19.054 -2.844 -11.676 1.00 20.30 C ATOM 1313 CD PRO A 83 18.274 -4.129 -11.446 1.00 3.42 C ATOM 0 HA PRO A 83 18.662 -3.273 -8.427 1.00 35.01 H new ATOM 0 HB2 PRO A 83 19.574 -1.332 -10.197 1.00 55.23 H new ATOM 0 HB3 PRO A 83 20.401 -2.859 -9.965 1.00 55.23 H new ATOM 0 HG2 PRO A 83 18.445 -2.087 -12.170 1.00 20.30 H new ATOM 0 HG3 PRO A 83 19.927 -3.012 -12.307 1.00 20.30 H new ATOM 0 HD2 PRO A 83 17.523 -4.277 -12.222 1.00 3.42 H new ATOM 0 HD3 PRO A 83 18.932 -4.998 -11.470 1.00 3.42 H new ATOM 1321 N ALA A 84 16.451 -1.274 -9.879 1.00 63.34 N ATOM 1322 CA ALA A 84 15.811 0.049 -9.745 1.00 72.11 C ATOM 1323 C ALA A 84 14.266 0.059 -9.784 1.00 32.21 C ATOM 1324 O ALA A 84 13.672 1.100 -9.521 1.00 74.23 O ATOM 1325 CB ALA A 84 16.382 0.983 -10.823 1.00 52.53 C ATOM 0 H ALA A 84 16.167 -1.779 -10.719 1.00 63.34 H new ATOM 0 HA ALA A 84 16.050 0.396 -8.740 1.00 72.11 H new ATOM 0 HB1 ALA A 84 15.918 1.965 -10.736 1.00 52.53 H new ATOM 0 HB2 ALA A 84 17.460 1.078 -10.689 1.00 52.53 H new ATOM 0 HB3 ALA A 84 16.174 0.569 -11.810 1.00 52.53 H new ATOM 1331 N HIS A 85 13.588 -1.062 -10.049 1.00 72.04 N ATOM 1332 CA HIS A 85 12.124 -1.170 -9.973 1.00 71.35 C ATOM 1333 C HIS A 85 11.742 -2.469 -9.246 1.00 24.22 C ATOM 1334 O HIS A 85 12.263 -3.523 -9.616 1.00 31.10 O ATOM 1335 CB HIS A 85 11.608 -1.124 -11.419 1.00 72.24 C ATOM 1336 CG HIS A 85 10.121 -0.964 -11.618 1.00 55.13 C ATOM 1337 ND1 HIS A 85 9.098 -1.582 -10.925 1.00 73.35 N ATOM 1338 CD2 HIS A 85 9.557 -0.264 -12.653 1.00 12.11 C ATOM 1339 CE1 HIS A 85 7.951 -1.284 -11.559 1.00 51.33 C ATOM 1340 NE2 HIS A 85 8.175 -0.470 -12.606 1.00 63.15 N ATOM 0 H HIS A 85 14.044 -1.931 -10.326 1.00 72.04 H new ATOM 0 HA HIS A 85 11.673 -0.357 -9.403 1.00 71.35 H new ATOM 0 HB2 HIS A 85 12.107 -0.300 -11.929 1.00 72.24 H new ATOM 0 HB3 HIS A 85 11.918 -2.042 -11.917 1.00 72.24 H new ATOM 0 HD2 HIS A 85 10.086 0.339 -13.376 1.00 12.11 H new ATOM 0 HE1 HIS A 85 6.978 -1.650 -11.266 1.00 51.33 H new ATOM 0 HE2 HIS A 85 7.476 -0.081 -13.239 1.00 63.15 H new ATOM 1348 N LYS A 86 10.889 -2.432 -8.212 1.00 3.31 N ATOM 1349 CA LYS A 86 10.307 -3.628 -7.565 1.00 42.14 C ATOM 1350 C LYS A 86 8.797 -3.412 -7.417 1.00 61.44 C ATOM 1351 O LYS A 86 8.298 -2.352 -7.802 1.00 53.11 O ATOM 1352 CB LYS A 86 10.931 -3.942 -6.189 1.00 40.25 C ATOM 1353 CG LYS A 86 12.446 -4.132 -6.253 1.00 60.04 C ATOM 1354 CD LYS A 86 13.100 -4.674 -4.980 1.00 11.34 C ATOM 1355 CE LYS A 86 14.475 -4.024 -4.745 1.00 53.53 C ATOM 1356 NZ LYS A 86 15.471 -4.237 -5.818 1.00 15.34 N ATOM 0 H LYS A 86 10.576 -1.557 -7.791 1.00 3.31 H new ATOM 0 HA LYS A 86 10.523 -4.488 -8.200 1.00 42.14 H new ATOM 0 HB2 LYS A 86 10.700 -3.132 -5.498 1.00 40.25 H new ATOM 0 HB3 LYS A 86 10.473 -4.845 -5.786 1.00 40.25 H new ATOM 0 HG2 LYS A 86 12.674 -4.811 -7.074 1.00 60.04 H new ATOM 0 HG3 LYS A 86 12.904 -3.173 -6.495 1.00 60.04 H new ATOM 0 HD2 LYS A 86 12.452 -4.482 -4.124 1.00 11.34 H new ATOM 0 HD3 LYS A 86 13.214 -5.755 -5.058 1.00 11.34 H new ATOM 0 HE2 LYS A 86 14.333 -2.951 -4.613 1.00 53.53 H new ATOM 0 HE3 LYS A 86 14.885 -4.409 -3.811 1.00 53.53 H new ATOM 0 HZ1 LYS A 86 16.262 -4.804 -5.450 1.00 15.34 H new ATOM 0 HZ2 LYS A 86 15.024 -4.740 -6.611 1.00 15.34 H new ATOM 0 HZ3 LYS A 86 15.828 -3.318 -6.148 1.00 15.34 H new ATOM 1370 N GLU A 87 8.072 -4.397 -6.878 1.00 32.31 N ATOM 1371 CA GLU A 87 6.633 -4.341 -6.584 1.00 21.32 C ATOM 1372 C GLU A 87 6.398 -5.039 -5.205 1.00 42.15 C ATOM 1373 O GLU A 87 7.363 -5.571 -4.655 1.00 40.34 O ATOM 1374 CB GLU A 87 5.814 -4.875 -7.779 1.00 3.01 C ATOM 1375 CG GLU A 87 6.155 -4.106 -9.085 1.00 34.22 C ATOM 1376 CD GLU A 87 5.221 -4.322 -10.280 1.00 40.23 C ATOM 1377 OE1 GLU A 87 4.113 -4.872 -10.094 1.00 72.53 O ATOM 1378 OE2 GLU A 87 5.563 -3.881 -11.401 1.00 42.33 O ATOM 0 H GLU A 87 8.487 -5.293 -6.623 1.00 32.31 H new ATOM 0 HA GLU A 87 6.267 -3.321 -6.471 1.00 21.32 H new ATOM 0 HB2 GLU A 87 6.017 -5.937 -7.916 1.00 3.01 H new ATOM 0 HB3 GLU A 87 4.750 -4.779 -7.565 1.00 3.01 H new ATOM 0 HG2 GLU A 87 6.173 -3.040 -8.857 1.00 34.22 H new ATOM 0 HG3 GLU A 87 7.164 -4.384 -9.389 1.00 34.22 H new ATOM 1385 N PHE A 88 5.222 -4.973 -4.548 1.00 71.12 N ATOM 1386 CA PHE A 88 4.896 -5.717 -3.297 1.00 4.21 C ATOM 1387 C PHE A 88 3.575 -6.447 -3.445 1.00 30.44 C ATOM 1388 O PHE A 88 2.527 -5.839 -3.247 1.00 34.21 O ATOM 1389 CB PHE A 88 4.981 -4.961 -1.956 1.00 64.51 C ATOM 1390 CG PHE A 88 5.077 -5.799 -0.687 1.00 33.02 C ATOM 1391 CD1 PHE A 88 6.244 -6.529 -0.386 1.00 63.43 C ATOM 1392 CD2 PHE A 88 4.032 -5.754 0.258 1.00 51.44 C ATOM 1393 CE1 PHE A 88 6.363 -7.210 0.840 1.00 71.43 C ATOM 1394 CE2 PHE A 88 4.156 -6.425 1.485 1.00 45.55 C ATOM 1395 CZ PHE A 88 5.314 -7.155 1.766 1.00 22.32 C ATOM 0 H PHE A 88 4.450 -4.390 -4.873 1.00 71.12 H new ATOM 0 HA PHE A 88 5.724 -6.420 -3.205 1.00 4.21 H new ATOM 0 HB2 PHE A 88 5.850 -4.304 -1.993 1.00 64.51 H new ATOM 0 HB3 PHE A 88 4.102 -4.322 -1.873 1.00 64.51 H new ATOM 0 HD1 PHE A 88 7.053 -6.566 -1.101 1.00 63.43 H new ATOM 0 HD2 PHE A 88 3.131 -5.201 0.037 1.00 51.44 H new ATOM 0 HE1 PHE A 88 7.258 -7.771 1.065 1.00 71.43 H new ATOM 0 HE2 PHE A 88 3.358 -6.377 2.211 1.00 45.55 H new ATOM 0 HZ PHE A 88 5.401 -7.681 2.705 1.00 22.32 H new ATOM 1405 N GLU A 89 3.625 -7.725 -3.824 1.00 2.24 N ATOM 1406 CA GLU A 89 2.456 -8.588 -3.882 1.00 41.31 C ATOM 1407 C GLU A 89 2.293 -9.275 -2.521 1.00 32.54 C ATOM 1408 O GLU A 89 3.186 -10.011 -2.076 1.00 70.41 O ATOM 1409 CB GLU A 89 2.601 -9.632 -5.005 1.00 4.33 C ATOM 1410 CG GLU A 89 1.930 -9.295 -6.342 1.00 11.11 C ATOM 1411 CD GLU A 89 1.358 -10.543 -7.027 1.00 4.20 C ATOM 1412 OE1 GLU A 89 1.838 -11.676 -6.762 1.00 63.31 O ATOM 1413 OE2 GLU A 89 0.364 -10.386 -7.761 1.00 43.04 O ATOM 0 H GLU A 89 4.490 -8.190 -4.101 1.00 2.24 H new ATOM 0 HA GLU A 89 1.570 -7.992 -4.104 1.00 41.31 H new ATOM 0 HB2 GLU A 89 3.664 -9.792 -5.187 1.00 4.33 H new ATOM 0 HB3 GLU A 89 2.193 -10.577 -4.647 1.00 4.33 H new ATOM 0 HG2 GLU A 89 1.130 -8.574 -6.175 1.00 11.11 H new ATOM 0 HG3 GLU A 89 2.655 -8.819 -7.002 1.00 11.11 H new ATOM 1420 N ALA A 90 1.136 -9.103 -1.878 1.00 23.13 N ATOM 1421 CA ALA A 90 0.720 -9.952 -0.770 1.00 51.04 C ATOM 1422 C ALA A 90 -0.756 -10.283 -0.901 1.00 42.31 C ATOM 1423 O ALA A 90 -1.525 -9.500 -1.461 1.00 30.24 O ATOM 1424 CB ALA A 90 0.991 -9.298 0.586 1.00 50.31 C ATOM 0 H ALA A 90 0.465 -8.371 -2.113 1.00 23.13 H new ATOM 0 HA ALA A 90 1.309 -10.868 -0.816 1.00 51.04 H new ATOM 0 HB1 ALA A 90 0.665 -9.966 1.384 1.00 50.31 H new ATOM 0 HB2 ALA A 90 2.058 -9.103 0.689 1.00 50.31 H new ATOM 0 HB3 ALA A 90 0.442 -8.358 0.653 1.00 50.31 H new ATOM 1430 N GLY A 91 -1.156 -11.407 -0.324 1.00 11.14 N ATOM 1431 CA GLY A 91 -2.521 -11.891 -0.296 1.00 52.04 C ATOM 1432 C GLY A 91 -2.567 -13.247 0.374 1.00 41.13 C ATOM 1433 O GLY A 91 -1.527 -13.767 0.779 1.00 52.32 O ATOM 0 H GLY A 91 -0.507 -12.030 0.157 1.00 11.14 H new ATOM 0 HA2 GLY A 91 -3.156 -11.187 0.242 1.00 52.04 H new ATOM 0 HA3 GLY A 91 -2.913 -11.962 -1.311 1.00 52.04 H new ATOM 1437 N TYR A 92 -3.763 -13.796 0.545 1.00 41.12 N ATOM 1438 CA TYR A 92 -3.900 -15.205 0.873 1.00 50.30 C ATOM 1439 C TYR A 92 -3.817 -16.010 -0.415 1.00 72.43 C ATOM 1440 O TYR A 92 -4.176 -15.521 -1.493 1.00 5.15 O ATOM 1441 CB TYR A 92 -5.225 -15.469 1.604 1.00 70.20 C ATOM 1442 CG TYR A 92 -5.209 -14.959 3.031 1.00 51.14 C ATOM 1443 CD1 TYR A 92 -5.224 -13.576 3.280 1.00 24.14 C ATOM 1444 CD2 TYR A 92 -5.099 -15.863 4.103 1.00 74.13 C ATOM 1445 CE1 TYR A 92 -5.062 -13.093 4.585 1.00 5.22 C ATOM 1446 CE2 TYR A 92 -4.980 -15.395 5.422 1.00 14.44 C ATOM 1447 CZ TYR A 92 -4.948 -14.003 5.664 1.00 52.20 C ATOM 1448 OH TYR A 92 -4.762 -13.542 6.930 1.00 61.33 O ATOM 0 H TYR A 92 -4.645 -13.290 0.462 1.00 41.12 H new ATOM 0 HA TYR A 92 -3.097 -15.507 1.545 1.00 50.30 H new ATOM 0 HB2 TYR A 92 -6.039 -14.991 1.059 1.00 70.20 H new ATOM 0 HB3 TYR A 92 -5.429 -16.540 1.606 1.00 70.20 H new ATOM 0 HD1 TYR A 92 -5.361 -12.883 2.463 1.00 24.14 H new ATOM 0 HD2 TYR A 92 -5.106 -16.926 3.910 1.00 74.13 H new ATOM 0 HE1 TYR A 92 -5.024 -12.029 4.768 1.00 5.22 H new ATOM 0 HE2 TYR A 92 -4.914 -16.093 6.244 1.00 14.44 H new ATOM 0 HH TYR A 92 -4.706 -14.300 7.549 1.00 61.33 H new ATOM 1458 N ASP A 93 -3.398 -17.266 -0.280 1.00 25.31 N ATOM 1459 CA ASP A 93 -3.549 -18.246 -1.347 1.00 22.43 C ATOM 1460 C ASP A 93 -5.046 -18.517 -1.542 1.00 21.13 C ATOM 1461 O ASP A 93 -5.877 -18.113 -0.725 1.00 22.44 O ATOM 1462 CB ASP A 93 -2.780 -19.532 -1.004 1.00 22.31 C ATOM 1463 CG ASP A 93 -2.347 -20.338 -2.237 1.00 41.24 C ATOM 1464 OD1 ASP A 93 -2.926 -20.209 -3.347 1.00 2.15 O ATOM 1465 OD2 ASP A 93 -1.394 -21.135 -2.102 1.00 24.14 O ATOM 0 H ASP A 93 -2.950 -17.628 0.562 1.00 25.31 H new ATOM 0 HA ASP A 93 -3.131 -17.863 -2.278 1.00 22.43 H new ATOM 0 HB2 ASP A 93 -1.896 -19.272 -0.422 1.00 22.31 H new ATOM 0 HB3 ASP A 93 -3.405 -20.161 -0.371 1.00 22.31 H new ATOM 1470 N GLU A 94 -5.409 -19.215 -2.616 1.00 12.25 N ATOM 1471 CA GLU A 94 -6.777 -19.536 -3.024 1.00 34.51 C ATOM 1472 C GLU A 94 -7.607 -18.298 -3.426 1.00 72.11 C ATOM 1473 O GLU A 94 -8.612 -18.456 -4.125 1.00 24.25 O ATOM 1474 CB GLU A 94 -7.469 -20.409 -1.951 1.00 13.41 C ATOM 1475 CG GLU A 94 -7.891 -21.792 -2.465 1.00 63.23 C ATOM 1476 CD GLU A 94 -8.329 -22.671 -1.290 1.00 24.32 C ATOM 1477 OE1 GLU A 94 -9.314 -22.308 -0.607 1.00 21.34 O ATOM 1478 OE2 GLU A 94 -7.618 -23.656 -0.964 1.00 11.44 O ATOM 0 H GLU A 94 -4.717 -19.594 -3.263 1.00 12.25 H new ATOM 0 HA GLU A 94 -6.713 -20.124 -3.940 1.00 34.51 H new ATOM 0 HB2 GLU A 94 -6.793 -20.535 -1.106 1.00 13.41 H new ATOM 0 HB3 GLU A 94 -8.349 -19.884 -1.580 1.00 13.41 H new ATOM 0 HG2 GLU A 94 -8.708 -21.691 -3.180 1.00 63.23 H new ATOM 0 HG3 GLU A 94 -7.062 -22.262 -2.993 1.00 63.23 H new ATOM 1485 N SER A 95 -7.175 -17.073 -3.109 1.00 41.02 N ATOM 1486 CA SER A 95 -7.789 -15.809 -3.511 1.00 2.25 C ATOM 1487 C SER A 95 -6.815 -15.011 -4.376 1.00 50.24 C ATOM 1488 O SER A 95 -5.703 -15.449 -4.684 1.00 71.54 O ATOM 1489 CB SER A 95 -8.206 -15.008 -2.264 1.00 24.32 C ATOM 1490 OG SER A 95 -9.118 -13.955 -2.560 1.00 21.34 O ATOM 0 H SER A 95 -6.344 -16.932 -2.535 1.00 41.02 H new ATOM 0 HA SER A 95 -8.683 -16.011 -4.101 1.00 2.25 H new ATOM 0 HB2 SER A 95 -8.662 -15.684 -1.540 1.00 24.32 H new ATOM 0 HB3 SER A 95 -7.316 -14.590 -1.793 1.00 24.32 H new ATOM 0 HG SER A 95 -9.350 -13.481 -1.734 1.00 21.34 H new ATOM 1496 N GLU A 96 -7.258 -13.831 -4.793 1.00 24.21 N ATOM 1497 CA GLU A 96 -6.406 -12.816 -5.379 1.00 2.42 C ATOM 1498 C GLU A 96 -5.624 -12.076 -4.277 1.00 43.11 C ATOM 1499 O GLU A 96 -6.080 -11.981 -3.127 1.00 65.42 O ATOM 1500 CB GLU A 96 -7.247 -11.805 -6.180 1.00 70.33 C ATOM 1501 CG GLU A 96 -7.275 -12.123 -7.684 1.00 23.14 C ATOM 1502 CD GLU A 96 -7.591 -10.876 -8.511 1.00 42.43 C ATOM 1503 OE1 GLU A 96 -6.709 -9.993 -8.641 1.00 31.44 O ATOM 1504 OE2 GLU A 96 -8.736 -10.711 -8.975 1.00 13.22 O ATOM 0 H GLU A 96 -8.237 -13.553 -4.730 1.00 24.21 H new ATOM 0 HA GLU A 96 -5.702 -13.306 -6.052 1.00 2.42 H new ATOM 0 HB2 GLU A 96 -8.266 -11.799 -5.794 1.00 70.33 H new ATOM 0 HB3 GLU A 96 -6.844 -10.803 -6.031 1.00 70.33 H new ATOM 0 HG2 GLU A 96 -6.311 -12.530 -7.990 1.00 23.14 H new ATOM 0 HG3 GLU A 96 -8.022 -12.892 -7.881 1.00 23.14 H new ATOM 1511 N PRO A 97 -4.490 -11.452 -4.633 1.00 52.32 N ATOM 1512 CA PRO A 97 -3.730 -10.554 -3.767 1.00 64.20 C ATOM 1513 C PRO A 97 -4.480 -9.262 -3.410 1.00 11.02 C ATOM 1514 O PRO A 97 -5.412 -8.847 -4.096 1.00 63.22 O ATOM 1515 CB PRO A 97 -2.417 -10.282 -4.509 1.00 65.32 C ATOM 1516 CG PRO A 97 -2.789 -10.521 -5.969 1.00 33.52 C ATOM 1517 CD PRO A 97 -3.830 -11.615 -5.916 1.00 10.14 C ATOM 0 HA PRO A 97 -3.556 -11.018 -2.796 1.00 64.20 H new ATOM 0 HB2 PRO A 97 -2.064 -9.264 -4.344 1.00 65.32 H new ATOM 0 HB3 PRO A 97 -1.622 -10.952 -4.181 1.00 65.32 H new ATOM 0 HG2 PRO A 97 -3.185 -9.617 -6.431 1.00 33.52 H new ATOM 0 HG3 PRO A 97 -1.922 -10.825 -6.556 1.00 33.52 H new ATOM 0 HD2 PRO A 97 -4.540 -11.523 -6.738 1.00 10.14 H new ATOM 0 HD3 PRO A 97 -3.371 -12.600 -6.000 1.00 10.14 H new ATOM 1525 N SER A 98 -4.055 -8.620 -2.322 1.00 34.34 N ATOM 1526 CA SER A 98 -4.642 -7.433 -1.691 1.00 71.31 C ATOM 1527 C SER A 98 -3.644 -6.261 -1.619 1.00 74.12 C ATOM 1528 O SER A 98 -3.958 -5.194 -1.094 1.00 30.11 O ATOM 1529 CB SER A 98 -5.053 -7.828 -0.268 1.00 44.14 C ATOM 1530 OG SER A 98 -6.136 -8.739 -0.250 1.00 73.51 O ATOM 0 H SER A 98 -3.228 -8.939 -1.818 1.00 34.34 H new ATOM 0 HA SER A 98 -5.492 -7.099 -2.285 1.00 71.31 H new ATOM 0 HB2 SER A 98 -4.199 -8.273 0.243 1.00 44.14 H new ATOM 0 HB3 SER A 98 -5.327 -6.932 0.290 1.00 44.14 H new ATOM 0 HG SER A 98 -6.844 -8.394 0.333 1.00 73.51 H new ATOM 1536 N LEU A 99 -2.423 -6.485 -2.098 1.00 42.25 N ATOM 1537 CA LEU A 99 -1.212 -5.672 -2.047 1.00 74.32 C ATOM 1538 C LEU A 99 -0.575 -5.928 -3.390 1.00 65.33 C ATOM 1539 O LEU A 99 -0.499 -7.073 -3.847 1.00 53.22 O ATOM 1540 CB LEU A 99 -0.346 -6.097 -0.857 1.00 22.22 C ATOM 1541 CG LEU A 99 -0.053 -4.951 0.126 1.00 43.15 C ATOM 1542 CD1 LEU A 99 -1.283 -4.143 0.544 1.00 45.21 C ATOM 1543 CD2 LEU A 99 0.568 -5.542 1.384 1.00 73.43 C ATOM 0 H LEU A 99 -2.237 -7.356 -2.596 1.00 42.25 H new ATOM 0 HA LEU A 99 -1.380 -4.607 -1.889 1.00 74.32 H new ATOM 0 HB2 LEU A 99 -0.847 -6.905 -0.323 1.00 22.22 H new ATOM 0 HB3 LEU A 99 0.597 -6.497 -1.228 1.00 22.22 H new ATOM 0 HG LEU A 99 0.613 -4.264 -0.397 1.00 43.15 H new ATOM 0 HD11 LEU A 99 -0.984 -3.357 1.237 1.00 45.21 H new ATOM 0 HD12 LEU A 99 -1.740 -3.694 -0.338 1.00 45.21 H new ATOM 0 HD13 LEU A 99 -2.003 -4.801 1.031 1.00 45.21 H new ATOM 0 HD21 LEU A 99 0.783 -4.743 2.094 1.00 73.43 H new ATOM 0 HD22 LEU A 99 -0.127 -6.250 1.835 1.00 73.43 H new ATOM 0 HD23 LEU A 99 1.494 -6.056 1.126 1.00 73.43 H new ATOM 1555 N ARG A 100 -0.202 -4.840 -4.054 1.00 54.15 N ATOM 1556 CA ARG A 100 0.467 -4.839 -5.346 1.00 44.34 C ATOM 1557 C ARG A 100 1.063 -3.450 -5.532 1.00 21.13 C ATOM 1558 O ARG A 100 0.676 -2.643 -6.381 1.00 1.23 O ATOM 1559 CB ARG A 100 -0.536 -5.151 -6.446 1.00 0.14 C ATOM 1560 CG ARG A 100 0.195 -5.434 -7.770 1.00 44.35 C ATOM 1561 CD ARG A 100 -0.737 -5.768 -8.949 1.00 20.54 C ATOM 1562 NE ARG A 100 -1.942 -4.938 -8.974 1.00 15.22 N ATOM 1563 CZ ARG A 100 -2.019 -3.618 -9.137 1.00 2.21 C ATOM 1564 NH1 ARG A 100 -0.955 -2.912 -9.536 1.00 22.34 N ATOM 1565 NH2 ARG A 100 -3.192 -3.038 -8.905 1.00 31.40 N ATOM 0 H ARG A 100 -0.364 -3.900 -3.692 1.00 54.15 H new ATOM 0 HA ARG A 100 1.249 -5.597 -5.392 1.00 44.34 H new ATOM 0 HB2 ARG A 100 -1.139 -6.014 -6.164 1.00 0.14 H new ATOM 0 HB3 ARG A 100 -1.220 -4.312 -6.572 1.00 0.14 H new ATOM 0 HG2 ARG A 100 0.796 -4.564 -8.033 1.00 44.35 H new ATOM 0 HG3 ARG A 100 0.885 -6.265 -7.620 1.00 44.35 H new ATOM 0 HD2 ARG A 100 -0.193 -5.638 -9.884 1.00 20.54 H new ATOM 0 HD3 ARG A 100 -1.026 -6.818 -8.892 1.00 20.54 H new ATOM 0 HE ARG A 100 -2.828 -5.428 -8.852 1.00 15.22 H new ATOM 0 HH11 ARG A 100 -0.070 -3.384 -9.720 1.00 22.34 H new ATOM 0 HH12 ARG A 100 -1.029 -1.902 -9.656 1.00 22.34 H new ATOM 0 HH21 ARG A 100 -3.991 -3.601 -8.614 1.00 31.40 H new ATOM 0 HH22 ARG A 100 -3.293 -2.029 -9.018 1.00 31.40 H new ATOM 1579 N VAL A 101 1.988 -3.164 -4.645 1.00 33.50 N ATOM 1580 CA VAL A 101 2.524 -1.816 -4.503 1.00 42.25 C ATOM 1581 C VAL A 101 3.610 -1.693 -5.589 1.00 12.20 C ATOM 1582 O VAL A 101 4.184 -2.714 -5.965 1.00 72.22 O ATOM 1583 CB VAL A 101 3.026 -1.631 -3.057 1.00 21.22 C ATOM 1584 CG1 VAL A 101 4.425 -2.039 -2.846 1.00 73.35 C ATOM 1585 CG2 VAL A 101 2.913 -0.212 -2.495 1.00 35.33 C ATOM 0 H VAL A 101 2.392 -3.847 -4.004 1.00 33.50 H new ATOM 0 HA VAL A 101 1.795 -1.019 -4.652 1.00 42.25 H new ATOM 0 HB VAL A 101 2.341 -2.291 -2.525 1.00 21.22 H new ATOM 0 HG11 VAL A 101 4.698 -1.876 -1.803 1.00 73.35 H new ATOM 0 HG12 VAL A 101 4.537 -3.095 -3.090 1.00 73.35 H new ATOM 0 HG13 VAL A 101 5.077 -1.447 -3.488 1.00 73.35 H new ATOM 0 HG21 VAL A 101 3.293 -0.194 -1.474 1.00 35.33 H new ATOM 0 HG22 VAL A 101 3.497 0.471 -3.112 1.00 35.33 H new ATOM 0 HG23 VAL A 101 1.868 0.099 -2.499 1.00 35.33 H new ATOM 1595 N VAL A 102 3.989 -0.494 -6.040 1.00 71.43 N ATOM 1596 CA VAL A 102 5.078 -0.343 -7.015 1.00 23.22 C ATOM 1597 C VAL A 102 6.029 0.732 -6.541 1.00 22.33 C ATOM 1598 O VAL A 102 5.613 1.872 -6.372 1.00 52.22 O ATOM 1599 CB VAL A 102 4.554 -0.067 -8.436 1.00 61.24 C ATOM 1600 CG1 VAL A 102 5.726 0.097 -9.426 1.00 31.32 C ATOM 1601 CG2 VAL A 102 3.674 -1.244 -8.865 1.00 23.54 C ATOM 0 H VAL A 102 3.561 0.385 -5.748 1.00 71.43 H new ATOM 0 HA VAL A 102 5.620 -1.287 -7.080 1.00 23.22 H new ATOM 0 HB VAL A 102 3.977 0.858 -8.437 1.00 61.24 H new ATOM 0 HG11 VAL A 102 5.334 0.291 -10.424 1.00 31.32 H new ATOM 0 HG12 VAL A 102 6.352 0.932 -9.113 1.00 31.32 H new ATOM 0 HG13 VAL A 102 6.320 -0.817 -9.441 1.00 31.32 H new ATOM 0 HG21 VAL A 102 3.293 -1.066 -9.871 1.00 23.54 H new ATOM 0 HG22 VAL A 102 4.263 -2.161 -8.857 1.00 23.54 H new ATOM 0 HG23 VAL A 102 2.838 -1.344 -8.173 1.00 23.54 H new ATOM 1611 N PHE A 103 7.283 0.349 -6.304 1.00 15.01 N ATOM 1612 CA PHE A 103 8.393 1.213 -5.926 1.00 53.43 C ATOM 1613 C PHE A 103 9.384 1.320 -7.085 1.00 2.12 C ATOM 1614 O PHE A 103 9.889 0.308 -7.576 1.00 32.12 O ATOM 1615 CB PHE A 103 9.134 0.638 -4.716 1.00 32.02 C ATOM 1616 CG PHE A 103 8.561 0.950 -3.349 1.00 60.22 C ATOM 1617 CD1 PHE A 103 8.571 2.267 -2.857 1.00 31.42 C ATOM 1618 CD2 PHE A 103 8.116 -0.090 -2.520 1.00 24.03 C ATOM 1619 CE1 PHE A 103 8.150 2.528 -1.540 1.00 3.21 C ATOM 1620 CE2 PHE A 103 7.689 0.162 -1.210 1.00 40.52 C ATOM 1621 CZ PHE A 103 7.714 1.474 -0.720 1.00 73.14 C ATOM 0 H PHE A 103 7.564 -0.629 -6.376 1.00 15.01 H new ATOM 0 HA PHE A 103 7.989 2.194 -5.678 1.00 53.43 H new ATOM 0 HB2 PHE A 103 9.175 -0.446 -4.827 1.00 32.02 H new ATOM 0 HB3 PHE A 103 10.162 1.001 -4.744 1.00 32.02 H new ATOM 0 HD1 PHE A 103 8.902 3.078 -3.489 1.00 31.42 H new ATOM 0 HD2 PHE A 103 8.102 -1.102 -2.898 1.00 24.03 H new ATOM 0 HE1 PHE A 103 8.162 3.539 -1.160 1.00 3.21 H new ATOM 0 HE2 PHE A 103 7.344 -0.647 -0.584 1.00 40.52 H new ATOM 0 HZ PHE A 103 7.397 1.676 0.292 1.00 73.14 H new ATOM 1631 N GLU A 104 9.721 2.547 -7.475 1.00 32.30 N ATOM 1632 CA GLU A 104 10.597 2.857 -8.586 1.00 24.00 C ATOM 1633 C GLU A 104 11.623 3.894 -8.115 1.00 51.33 C ATOM 1634 O GLU A 104 11.265 4.921 -7.521 1.00 42.13 O ATOM 1635 CB GLU A 104 9.698 3.342 -9.730 1.00 1.32 C ATOM 1636 CG GLU A 104 10.179 2.906 -11.108 1.00 55.42 C ATOM 1637 CD GLU A 104 11.341 3.722 -11.689 1.00 13.21 C ATOM 1638 OE1 GLU A 104 11.805 4.695 -11.052 1.00 40.14 O ATOM 1639 OE2 GLU A 104 11.757 3.446 -12.836 1.00 71.12 O ATOM 0 H GLU A 104 9.374 3.381 -7.002 1.00 32.30 H new ATOM 0 HA GLU A 104 11.170 2.002 -8.946 1.00 24.00 H new ATOM 0 HB2 GLU A 104 8.687 2.966 -9.571 1.00 1.32 H new ATOM 0 HB3 GLU A 104 9.642 4.430 -9.701 1.00 1.32 H new ATOM 0 HG2 GLU A 104 10.483 1.861 -11.054 1.00 55.42 H new ATOM 0 HG3 GLU A 104 9.339 2.958 -11.801 1.00 55.42 H new ATOM 1646 N LEU A 105 12.898 3.573 -8.315 1.00 42.11 N ATOM 1647 CA LEU A 105 14.069 4.374 -7.988 1.00 55.14 C ATOM 1648 C LEU A 105 14.264 5.402 -9.099 1.00 33.34 C ATOM 1649 O LEU A 105 14.740 5.053 -10.181 1.00 31.40 O ATOM 1650 CB LEU A 105 15.297 3.452 -7.883 1.00 2.41 C ATOM 1651 CG LEU A 105 16.628 4.190 -7.642 1.00 21.13 C ATOM 1652 CD1 LEU A 105 16.898 4.408 -6.157 1.00 23.41 C ATOM 1653 CD2 LEU A 105 17.802 3.420 -8.249 1.00 62.01 C ATOM 0 H LEU A 105 13.156 2.682 -8.740 1.00 42.11 H new ATOM 0 HA LEU A 105 13.938 4.887 -7.035 1.00 55.14 H new ATOM 0 HB2 LEU A 105 15.136 2.744 -7.070 1.00 2.41 H new ATOM 0 HB3 LEU A 105 15.379 2.870 -8.801 1.00 2.41 H new ATOM 0 HG LEU A 105 16.535 5.161 -8.128 1.00 21.13 H new ATOM 0 HD11 LEU A 105 17.846 4.931 -6.033 1.00 23.41 H new ATOM 0 HD12 LEU A 105 16.095 5.005 -5.725 1.00 23.41 H new ATOM 0 HD13 LEU A 105 16.947 3.444 -5.651 1.00 23.41 H new ATOM 0 HD21 LEU A 105 18.728 3.964 -8.064 1.00 62.01 H new ATOM 0 HD22 LEU A 105 17.864 2.432 -7.793 1.00 62.01 H new ATOM 0 HD23 LEU A 105 17.652 3.315 -9.323 1.00 62.01 H new ATOM 1665 N THR A 106 13.981 6.673 -8.829 1.00 20.11 N ATOM 1666 CA THR A 106 14.260 7.774 -9.743 1.00 72.14 C ATOM 1667 C THR A 106 15.022 8.860 -8.980 1.00 35.01 C ATOM 1668 O THR A 106 14.708 9.114 -7.817 1.00 60.03 O ATOM 1669 CB THR A 106 12.934 8.320 -10.297 1.00 60.31 C ATOM 1670 OG1 THR A 106 12.080 7.328 -10.845 1.00 1.04 O ATOM 1671 CG2 THR A 106 13.169 9.347 -11.400 1.00 32.41 C ATOM 0 H THR A 106 13.545 6.970 -7.956 1.00 20.11 H new ATOM 0 HA THR A 106 14.869 7.435 -10.581 1.00 72.14 H new ATOM 0 HB THR A 106 12.451 8.763 -9.426 1.00 60.31 H new ATOM 0 HG1 THR A 106 12.531 6.458 -10.821 1.00 1.04 H new ATOM 0 HG21 THR A 106 12.210 9.711 -11.768 1.00 32.41 H new ATOM 0 HG22 THR A 106 13.746 10.182 -11.003 1.00 32.41 H new ATOM 0 HG23 THR A 106 13.719 8.883 -12.218 1.00 32.41 H new ATOM 1679 N ASP A 107 15.993 9.523 -9.623 1.00 34.01 N ATOM 1680 CA ASP A 107 16.782 10.618 -9.031 1.00 24.01 C ATOM 1681 C ASP A 107 17.603 10.106 -7.830 1.00 20.20 C ATOM 1682 O ASP A 107 17.991 10.852 -6.925 1.00 20.22 O ATOM 1683 CB ASP A 107 15.856 11.803 -8.697 1.00 32.34 C ATOM 1684 CG ASP A 107 16.529 13.170 -8.823 1.00 31.20 C ATOM 1685 OD1 ASP A 107 16.449 13.737 -9.938 1.00 61.21 O ATOM 1686 OD2 ASP A 107 16.986 13.710 -7.790 1.00 12.11 O ATOM 0 H ASP A 107 16.258 9.312 -10.585 1.00 34.01 H new ATOM 0 HA ASP A 107 17.513 10.988 -9.750 1.00 24.01 H new ATOM 0 HB2 ASP A 107 14.990 11.773 -9.359 1.00 32.34 H new ATOM 0 HB3 ASP A 107 15.484 11.685 -7.679 1.00 32.34 H new ATOM 1691 N GLY A 108 17.821 8.785 -7.791 1.00 64.03 N ATOM 1692 CA GLY A 108 18.451 8.071 -6.703 1.00 24.44 C ATOM 1693 C GLY A 108 17.513 7.709 -5.555 1.00 20.34 C ATOM 1694 O GLY A 108 17.989 7.082 -4.614 1.00 3.43 O ATOM 0 H GLY A 108 17.546 8.169 -8.557 1.00 64.03 H new ATOM 0 HA2 GLY A 108 18.895 7.156 -7.095 1.00 24.44 H new ATOM 0 HA3 GLY A 108 19.267 8.678 -6.311 1.00 24.44 H new ATOM 1698 N LYS A 109 16.227 8.077 -5.577 1.00 22.42 N ATOM 1699 CA LYS A 109 15.295 7.931 -4.466 1.00 74.42 C ATOM 1700 C LYS A 109 14.117 7.040 -4.868 1.00 13.34 C ATOM 1701 O LYS A 109 13.590 7.145 -5.972 1.00 24.21 O ATOM 1702 CB LYS A 109 14.831 9.342 -4.064 1.00 53.22 C ATOM 1703 CG LYS A 109 15.967 10.219 -3.496 1.00 2.21 C ATOM 1704 CD LYS A 109 16.505 9.675 -2.163 1.00 21.04 C ATOM 1705 CE LYS A 109 17.943 9.143 -2.183 1.00 40.33 C ATOM 1706 NZ LYS A 109 18.984 10.190 -2.208 1.00 31.10 N ATOM 0 H LYS A 109 15.797 8.499 -6.400 1.00 22.42 H new ATOM 0 HA LYS A 109 15.776 7.447 -3.616 1.00 74.42 H new ATOM 0 HB2 LYS A 109 14.400 9.837 -4.934 1.00 53.22 H new ATOM 0 HB3 LYS A 109 14.039 9.258 -3.320 1.00 53.22 H new ATOM 0 HG2 LYS A 109 16.780 10.272 -4.220 1.00 2.21 H new ATOM 0 HG3 LYS A 109 15.602 11.236 -3.351 1.00 2.21 H new ATOM 0 HD2 LYS A 109 16.443 10.469 -1.418 1.00 21.04 H new ATOM 0 HD3 LYS A 109 15.847 8.873 -1.829 1.00 21.04 H new ATOM 0 HE2 LYS A 109 18.097 8.516 -1.305 1.00 40.33 H new ATOM 0 HE3 LYS A 109 18.068 8.503 -3.057 1.00 40.33 H new ATOM 0 HZ1 LYS A 109 19.924 9.745 -2.220 1.00 31.10 H new ATOM 0 HZ2 LYS A 109 18.867 10.776 -3.059 1.00 31.10 H new ATOM 0 HZ3 LYS A 109 18.895 10.788 -1.362 1.00 31.10 H new ATOM 1720 N TRP A 110 13.694 6.149 -3.971 1.00 44.14 N ATOM 1721 CA TRP A 110 12.607 5.203 -4.212 1.00 0.21 C ATOM 1722 C TRP A 110 11.252 5.835 -3.923 1.00 71.25 C ATOM 1723 O TRP A 110 10.937 6.069 -2.752 1.00 13.43 O ATOM 1724 CB TRP A 110 12.786 3.990 -3.300 1.00 42.35 C ATOM 1725 CG TRP A 110 13.942 3.123 -3.650 1.00 74.44 C ATOM 1726 CD1 TRP A 110 15.196 3.221 -3.159 1.00 43.13 C ATOM 1727 CD2 TRP A 110 13.963 2.019 -4.598 1.00 11.11 C ATOM 1728 NE1 TRP A 110 15.976 2.234 -3.715 1.00 62.43 N ATOM 1729 CE2 TRP A 110 15.275 1.471 -4.616 1.00 23.31 C ATOM 1730 CE3 TRP A 110 13.010 1.444 -5.463 1.00 31.20 C ATOM 1731 CZ2 TRP A 110 15.628 0.402 -5.447 1.00 75.04 C ATOM 1732 CZ3 TRP A 110 13.346 0.363 -6.296 1.00 34.41 C ATOM 1733 CH2 TRP A 110 14.653 -0.152 -6.289 1.00 52.21 C ATOM 0 H TRP A 110 14.105 6.064 -3.041 1.00 44.14 H new ATOM 0 HA TRP A 110 12.639 4.907 -5.261 1.00 0.21 H new ATOM 0 HB2 TRP A 110 12.905 4.337 -2.274 1.00 42.35 H new ATOM 0 HB3 TRP A 110 11.876 3.391 -3.330 1.00 42.35 H new ATOM 0 HD1 TRP A 110 15.533 3.957 -2.444 1.00 43.13 H new ATOM 0 HE1 TRP A 110 16.959 2.086 -3.485 1.00 62.43 H new ATOM 0 HE3 TRP A 110 12.006 1.840 -5.486 1.00 31.20 H new ATOM 0 HZ2 TRP A 110 16.634 0.010 -5.440 1.00 75.04 H new ATOM 0 HZ3 TRP A 110 12.598 -0.072 -6.942 1.00 34.41 H new ATOM 0 HH2 TRP A 110 14.908 -0.979 -6.935 1.00 52.21 H new ATOM 1744 N TYR A 111 10.427 6.052 -4.945 1.00 15.11 N ATOM 1745 CA TYR A 111 9.047 6.489 -4.770 1.00 35.00 C ATOM 1746 C TYR A 111 8.102 5.323 -5.003 1.00 64.03 C ATOM 1747 O TYR A 111 8.351 4.502 -5.882 1.00 23.41 O ATOM 1748 CB TYR A 111 8.698 7.591 -5.768 1.00 52.15 C ATOM 1749 CG TYR A 111 9.484 8.864 -5.568 1.00 60.31 C ATOM 1750 CD1 TYR A 111 10.730 9.031 -6.199 1.00 24.34 C ATOM 1751 CD2 TYR A 111 8.969 9.877 -4.740 1.00 61.15 C ATOM 1752 CE1 TYR A 111 11.478 10.199 -5.984 1.00 55.31 C ATOM 1753 CE2 TYR A 111 9.716 11.041 -4.507 1.00 55.22 C ATOM 1754 CZ TYR A 111 10.974 11.206 -5.128 1.00 41.14 C ATOM 1755 OH TYR A 111 11.683 12.343 -4.898 1.00 74.42 O ATOM 0 H TYR A 111 10.699 5.929 -5.920 1.00 15.11 H new ATOM 0 HA TYR A 111 8.942 6.868 -3.753 1.00 35.00 H new ATOM 0 HB2 TYR A 111 8.873 7.222 -6.779 1.00 52.15 H new ATOM 0 HB3 TYR A 111 7.634 7.816 -5.690 1.00 52.15 H new ATOM 0 HD1 TYR A 111 11.112 8.259 -6.850 1.00 24.34 H new ATOM 0 HD2 TYR A 111 7.998 9.759 -4.283 1.00 61.15 H new ATOM 0 HE1 TYR A 111 12.434 10.328 -6.470 1.00 55.31 H new ATOM 0 HE2 TYR A 111 9.330 11.810 -3.854 1.00 55.22 H new ATOM 0 HH TYR A 111 11.183 12.922 -4.286 1.00 74.42 H new ATOM 1765 N VAL A 112 6.989 5.280 -4.275 1.00 72.33 N ATOM 1766 CA VAL A 112 5.819 4.531 -4.709 1.00 21.11 C ATOM 1767 C VAL A 112 5.264 5.242 -5.949 1.00 31.14 C ATOM 1768 O VAL A 112 5.236 6.477 -5.959 1.00 35.12 O ATOM 1769 CB VAL A 112 4.754 4.476 -3.597 1.00 23.40 C ATOM 1770 CG1 VAL A 112 3.544 3.617 -3.981 1.00 64.11 C ATOM 1771 CG2 VAL A 112 5.316 3.917 -2.283 1.00 55.15 C ATOM 0 H VAL A 112 6.875 5.757 -3.381 1.00 72.33 H new ATOM 0 HA VAL A 112 6.091 3.501 -4.940 1.00 21.11 H new ATOM 0 HB VAL A 112 4.442 5.512 -3.462 1.00 23.40 H new ATOM 0 HG11 VAL A 112 2.825 3.613 -3.161 1.00 64.11 H new ATOM 0 HG12 VAL A 112 3.074 4.029 -4.874 1.00 64.11 H new ATOM 0 HG13 VAL A 112 3.871 2.597 -4.181 1.00 64.11 H new ATOM 0 HG21 VAL A 112 4.529 3.898 -1.530 1.00 55.15 H new ATOM 0 HG22 VAL A 112 5.686 2.905 -2.447 1.00 55.15 H new ATOM 0 HG23 VAL A 112 6.133 4.551 -1.938 1.00 55.15 H new ATOM 1781 N THR A 113 4.778 4.504 -6.947 1.00 13.00 N ATOM 1782 CA THR A 113 4.095 5.071 -8.108 1.00 71.41 C ATOM 1783 C THR A 113 2.749 4.372 -8.388 1.00 3.00 C ATOM 1784 O THR A 113 1.936 4.906 -9.137 1.00 53.34 O ATOM 1785 CB THR A 113 5.041 5.113 -9.331 1.00 63.12 C ATOM 1786 OG1 THR A 113 5.181 3.831 -9.916 1.00 24.31 O ATOM 1787 CG2 THR A 113 6.456 5.624 -9.022 1.00 54.41 C ATOM 0 H THR A 113 4.848 3.487 -6.972 1.00 13.00 H new ATOM 0 HA THR A 113 3.833 6.105 -7.882 1.00 71.41 H new ATOM 0 HB THR A 113 4.561 5.817 -10.011 1.00 63.12 H new ATOM 0 HG1 THR A 113 5.783 3.887 -10.687 1.00 24.31 H new ATOM 0 HG21 THR A 113 7.052 5.620 -9.935 1.00 54.41 H new ATOM 0 HG22 THR A 113 6.399 6.639 -8.630 1.00 54.41 H new ATOM 0 HG23 THR A 113 6.923 4.975 -8.281 1.00 54.41 H new ATOM 1795 N ASP A 114 2.463 3.217 -7.776 1.00 22.42 N ATOM 1796 CA ASP A 114 1.143 2.576 -7.771 1.00 62.43 C ATOM 1797 C ASP A 114 0.968 1.856 -6.423 1.00 12.21 C ATOM 1798 O ASP A 114 1.976 1.542 -5.776 1.00 62.11 O ATOM 1799 CB ASP A 114 0.983 1.584 -8.934 1.00 33.52 C ATOM 1800 CG ASP A 114 -0.479 1.146 -9.081 1.00 40.25 C ATOM 1801 OD1 ASP A 114 -1.365 1.942 -8.695 1.00 20.22 O ATOM 1802 OD2 ASP A 114 -0.741 0.022 -9.579 1.00 21.24 O ATOM 0 H ASP A 114 3.163 2.688 -7.256 1.00 22.42 H new ATOM 0 HA ASP A 114 0.375 3.338 -7.902 1.00 62.43 H new ATOM 0 HB2 ASP A 114 1.324 2.046 -9.861 1.00 33.52 H new ATOM 0 HB3 ASP A 114 1.613 0.711 -8.762 1.00 33.52 H new ATOM 1807 N CYS A 115 -0.266 1.613 -5.962 1.00 53.02 N ATOM 1808 CA CYS A 115 -0.544 0.840 -4.749 1.00 4.02 C ATOM 1809 C CYS A 115 -1.985 0.340 -4.760 1.00 64.43 C ATOM 1810 O CYS A 115 -2.901 1.127 -4.996 1.00 54.45 O ATOM 1811 CB CYS A 115 -0.279 1.701 -3.509 1.00 33.13 C ATOM 1812 SG CYS A 115 -0.766 0.921 -1.940 1.00 55.15 S ATOM 0 H CYS A 115 -1.108 1.952 -6.428 1.00 53.02 H new ATOM 0 HA CYS A 115 0.118 -0.026 -4.719 1.00 4.02 H new ATOM 0 HB2 CYS A 115 0.783 1.941 -3.468 1.00 33.13 H new ATOM 0 HB3 CYS A 115 -0.815 2.644 -3.614 1.00 33.13 H new ATOM 0 HG CYS A 115 -0.443 1.699 -0.950 1.00 55.15 H new ATOM 1818 N TYR A 116 -2.153 -0.943 -4.443 1.00 71.12 N ATOM 1819 CA TYR A 116 -3.402 -1.665 -4.297 1.00 41.22 C ATOM 1820 C TYR A 116 -3.498 -1.991 -2.810 1.00 53.34 C ATOM 1821 O TYR A 116 -2.568 -2.599 -2.290 1.00 73.32 O ATOM 1822 CB TYR A 116 -3.297 -2.923 -5.166 1.00 72.42 C ATOM 1823 CG TYR A 116 -4.592 -3.609 -5.509 1.00 73.15 C ATOM 1824 CD1 TYR A 116 -5.629 -2.872 -6.107 1.00 34.43 C ATOM 1825 CD2 TYR A 116 -4.710 -4.998 -5.331 1.00 32.41 C ATOM 1826 CE1 TYR A 116 -6.804 -3.517 -6.510 1.00 15.43 C ATOM 1827 CE2 TYR A 116 -5.879 -5.661 -5.755 1.00 43.22 C ATOM 1828 CZ TYR A 116 -6.925 -4.914 -6.350 1.00 1.12 C ATOM 1829 OH TYR A 116 -8.060 -5.502 -6.810 1.00 1.15 O ATOM 0 H TYR A 116 -1.350 -1.547 -4.269 1.00 71.12 H new ATOM 0 HA TYR A 116 -4.289 -1.116 -4.611 1.00 41.22 H new ATOM 0 HB2 TYR A 116 -2.796 -2.655 -6.096 1.00 72.42 H new ATOM 0 HB3 TYR A 116 -2.656 -3.640 -4.653 1.00 72.42 H new ATOM 0 HD1 TYR A 116 -5.519 -1.808 -6.255 1.00 34.43 H new ATOM 0 HD2 TYR A 116 -3.908 -5.555 -4.871 1.00 32.41 H new ATOM 0 HE1 TYR A 116 -7.614 -2.948 -6.941 1.00 15.43 H new ATOM 0 HE2 TYR A 116 -5.976 -6.729 -5.627 1.00 43.22 H new ATOM 0 HH TYR A 116 -8.020 -6.466 -6.641 1.00 1.15 H new ATOM 1839 N ASN A 117 -4.498 -1.507 -2.079 1.00 35.21 N ATOM 1840 CA ASN A 117 -4.541 -1.578 -0.618 1.00 62.35 C ATOM 1841 C ASN A 117 -5.977 -1.873 -0.215 1.00 42.22 C ATOM 1842 O ASN A 117 -6.897 -1.210 -0.709 1.00 61.21 O ATOM 1843 CB ASN A 117 -4.078 -0.246 0.000 1.00 73.14 C ATOM 1844 CG ASN A 117 -3.052 -0.448 1.108 1.00 63.51 C ATOM 1845 OD1 ASN A 117 -1.961 -0.960 0.869 1.00 51.11 O ATOM 1846 ND2 ASN A 117 -3.370 -0.043 2.326 1.00 64.53 N ATOM 0 H ASN A 117 -5.312 -1.048 -2.488 1.00 35.21 H new ATOM 0 HA ASN A 117 -3.873 -2.360 -0.257 1.00 62.35 H new ATOM 0 HB2 ASN A 117 -3.649 0.384 -0.779 1.00 73.14 H new ATOM 0 HB3 ASN A 117 -4.941 0.286 0.400 1.00 73.14 H new ATOM 0 HD21 ASN A 117 -2.704 -0.153 3.090 1.00 64.53 H new ATOM 0 HD22 ASN A 117 -4.282 0.379 2.501 1.00 64.53 H new ATOM 1853 N ASP A 118 -6.176 -2.888 0.628 1.00 24.10 N ATOM 1854 CA ASP A 118 -7.431 -3.627 0.554 1.00 5.43 C ATOM 1855 C ASP A 118 -8.658 -2.819 0.956 1.00 61.54 C ATOM 1856 O ASP A 118 -9.532 -2.717 0.116 1.00 72.44 O ATOM 1857 CB ASP A 118 -7.348 -5.007 1.226 1.00 72.51 C ATOM 1858 CG ASP A 118 -8.030 -6.128 0.417 1.00 64.31 C ATOM 1859 OD1 ASP A 118 -8.475 -5.905 -0.729 1.00 71.30 O ATOM 1860 OD2 ASP A 118 -8.079 -7.288 0.896 1.00 23.25 O ATOM 0 H ASP A 118 -5.516 -3.205 1.338 1.00 24.10 H new ATOM 0 HA ASP A 118 -7.585 -3.824 -0.507 1.00 5.43 H new ATOM 0 HB2 ASP A 118 -6.300 -5.266 1.378 1.00 72.51 H new ATOM 0 HB3 ASP A 118 -7.809 -4.950 2.212 1.00 72.51 H new ATOM 1865 N TRP A 119 -8.789 -2.290 2.186 1.00 12.41 N ATOM 1866 CA TRP A 119 -9.404 -1.003 2.581 1.00 12.01 C ATOM 1867 C TRP A 119 -10.681 -0.640 1.835 1.00 42.14 C ATOM 1868 O TRP A 119 -11.766 -0.600 2.399 1.00 64.53 O ATOM 1869 CB TRP A 119 -8.429 0.191 2.691 1.00 3.10 C ATOM 1870 CG TRP A 119 -7.889 0.474 4.071 1.00 42.41 C ATOM 1871 CD1 TRP A 119 -6.597 0.435 4.459 1.00 44.35 C ATOM 1872 CD2 TRP A 119 -8.624 0.909 5.261 1.00 32.20 C ATOM 1873 NE1 TRP A 119 -6.492 0.723 5.808 1.00 13.31 N ATOM 1874 CE2 TRP A 119 -7.713 1.045 6.347 1.00 11.40 C ATOM 1875 CE3 TRP A 119 -9.968 1.209 5.539 1.00 53.02 C ATOM 1876 CZ2 TRP A 119 -8.122 1.429 7.631 1.00 51.44 C ATOM 1877 CZ3 TRP A 119 -10.390 1.630 6.818 1.00 14.30 C ATOM 1878 CH2 TRP A 119 -9.467 1.733 7.871 1.00 73.11 C ATOM 0 H TRP A 119 -8.438 -2.793 3.001 1.00 12.41 H new ATOM 0 HA TRP A 119 -9.714 -1.214 3.604 1.00 12.01 H new ATOM 0 HB2 TRP A 119 -7.587 0.011 2.022 1.00 3.10 H new ATOM 0 HB3 TRP A 119 -8.937 1.085 2.330 1.00 3.10 H new ATOM 0 HD1 TRP A 119 -5.764 0.211 3.809 1.00 44.35 H new ATOM 0 HE1 TRP A 119 -5.619 0.699 6.335 1.00 13.31 H new ATOM 0 HE3 TRP A 119 -10.700 1.115 4.750 1.00 53.02 H new ATOM 0 HZ2 TRP A 119 -7.401 1.490 8.433 1.00 51.44 H new ATOM 0 HZ3 TRP A 119 -11.428 1.874 6.988 1.00 14.30 H new ATOM 0 HH2 TRP A 119 -9.791 2.043 8.854 1.00 73.11 H new ATOM 1889 N TYR A 120 -10.507 -0.319 0.562 1.00 61.24 N ATOM 1890 CA TYR A 120 -11.502 0.160 -0.393 1.00 62.34 C ATOM 1891 C TYR A 120 -11.883 -0.981 -1.347 1.00 71.20 C ATOM 1892 O TYR A 120 -11.766 -0.878 -2.571 1.00 0.03 O ATOM 1893 CB TYR A 120 -10.931 1.374 -1.133 1.00 31.42 C ATOM 1894 CG TYR A 120 -10.348 2.460 -0.253 1.00 52.22 C ATOM 1895 CD1 TYR A 120 -11.177 3.312 0.517 1.00 3.04 C ATOM 1896 CD2 TYR A 120 -8.947 2.589 -0.210 1.00 63.55 C ATOM 1897 CE1 TYR A 120 -10.571 4.267 1.376 1.00 13.22 C ATOM 1898 CE2 TYR A 120 -8.354 3.523 0.648 1.00 64.24 C ATOM 1899 CZ TYR A 120 -9.165 4.329 1.472 1.00 64.13 C ATOM 1900 OH TYR A 120 -8.582 5.181 2.352 1.00 41.31 O ATOM 0 H TYR A 120 -9.586 -0.393 0.130 1.00 61.24 H new ATOM 0 HA TYR A 120 -12.413 0.475 0.116 1.00 62.34 H new ATOM 0 HB2 TYR A 120 -10.155 1.029 -1.816 1.00 31.42 H new ATOM 0 HB3 TYR A 120 -11.722 1.811 -1.743 1.00 31.42 H new ATOM 0 HD1 TYR A 120 -12.252 3.237 0.452 1.00 3.04 H new ATOM 0 HD2 TYR A 120 -8.329 1.967 -0.840 1.00 63.55 H new ATOM 0 HE1 TYR A 120 -11.184 4.943 1.953 1.00 13.22 H new ATOM 0 HE2 TYR A 120 -7.279 3.625 0.678 1.00 64.24 H new ATOM 0 HH TYR A 120 -7.619 5.226 2.175 1.00 41.31 H new ATOM 1910 N ASN A 121 -12.272 -2.113 -0.768 1.00 15.32 N ATOM 1911 CA ASN A 121 -12.565 -3.370 -1.453 1.00 14.13 C ATOM 1912 C ASN A 121 -14.043 -3.424 -1.844 1.00 20.42 C ATOM 1913 O ASN A 121 -14.811 -2.500 -1.574 1.00 2.23 O ATOM 1914 CB ASN A 121 -12.182 -4.563 -0.554 1.00 13.02 C ATOM 1915 CG ASN A 121 -12.801 -4.444 0.827 1.00 65.51 C ATOM 1916 OD1 ASN A 121 -13.909 -4.903 1.069 1.00 54.24 O ATOM 1917 ND2 ASN A 121 -12.117 -3.766 1.733 1.00 5.23 N ATOM 0 H ASN A 121 -12.398 -2.183 0.242 1.00 15.32 H new ATOM 0 HA ASN A 121 -11.972 -3.429 -2.366 1.00 14.13 H new ATOM 0 HB2 ASN A 121 -12.510 -5.491 -1.021 1.00 13.02 H new ATOM 0 HB3 ASN A 121 -11.097 -4.618 -0.464 1.00 13.02 H new ATOM 0 HD21 ASN A 121 -12.511 -3.614 2.661 1.00 5.23 H new ATOM 0 HD22 ASN A 121 -11.195 -3.395 1.503 1.00 5.23 H new ATOM 1924 N PHE A 122 -14.442 -4.517 -2.500 1.00 40.41 N ATOM 1925 CA PHE A 122 -15.793 -4.740 -3.013 1.00 1.31 C ATOM 1926 C PHE A 122 -16.880 -4.612 -1.943 1.00 14.03 C ATOM 1927 O PHE A 122 -18.021 -4.299 -2.273 1.00 54.41 O ATOM 1928 CB PHE A 122 -15.858 -6.137 -3.659 1.00 2.05 C ATOM 1929 CG PHE A 122 -15.871 -6.127 -5.171 1.00 62.23 C ATOM 1930 CD1 PHE A 122 -14.831 -5.510 -5.893 1.00 74.21 C ATOM 1931 CD2 PHE A 122 -16.934 -6.739 -5.862 1.00 3.43 C ATOM 1932 CE1 PHE A 122 -14.874 -5.488 -7.297 1.00 0.43 C ATOM 1933 CE2 PHE A 122 -16.974 -6.709 -7.265 1.00 60.41 C ATOM 1934 CZ PHE A 122 -15.947 -6.076 -7.984 1.00 31.54 C ATOM 0 H PHE A 122 -13.812 -5.295 -2.694 1.00 40.41 H new ATOM 0 HA PHE A 122 -15.993 -3.959 -3.747 1.00 1.31 H new ATOM 0 HB2 PHE A 122 -15.003 -6.721 -3.319 1.00 2.05 H new ATOM 0 HB3 PHE A 122 -16.754 -6.647 -3.304 1.00 2.05 H new ATOM 0 HD1 PHE A 122 -14.003 -5.055 -5.369 1.00 74.21 H new ATOM 0 HD2 PHE A 122 -17.721 -7.233 -5.311 1.00 3.43 H new ATOM 0 HE1 PHE A 122 -14.076 -5.016 -7.851 1.00 0.43 H new ATOM 0 HE2 PHE A 122 -17.795 -7.173 -7.792 1.00 60.41 H new ATOM 0 HZ PHE A 122 -15.983 -6.042 -9.063 1.00 31.54 H new ATOM 1944 N ASP A 123 -16.547 -4.849 -0.674 1.00 31.25 N ATOM 1945 CA ASP A 123 -17.501 -4.866 0.430 1.00 12.34 C ATOM 1946 C ASP A 123 -17.886 -3.443 0.880 1.00 21.14 C ATOM 1947 O ASP A 123 -18.636 -3.318 1.849 1.00 70.20 O ATOM 1948 CB ASP A 123 -16.904 -5.699 1.589 1.00 42.11 C ATOM 1949 CG ASP A 123 -17.914 -6.614 2.291 1.00 44.33 C ATOM 1950 OD1 ASP A 123 -18.426 -7.543 1.619 1.00 5.33 O ATOM 1951 OD2 ASP A 123 -18.084 -6.489 3.529 1.00 14.43 O ATOM 0 H ASP A 123 -15.588 -5.038 -0.381 1.00 31.25 H new ATOM 0 HA ASP A 123 -18.428 -5.331 0.096 1.00 12.34 H new ATOM 0 HB2 ASP A 123 -16.088 -6.308 1.201 1.00 42.11 H new ATOM 0 HB3 ASP A 123 -16.473 -5.020 2.325 1.00 42.11 H new ATOM 1956 N LEU A 124 -17.387 -2.372 0.229 1.00 14.44 N ATOM 1957 CA LEU A 124 -17.437 -0.999 0.721 1.00 14.45 C ATOM 1958 C LEU A 124 -18.331 -0.137 -0.185 1.00 41.13 C ATOM 1959 O LEU A 124 -17.810 0.470 -1.124 1.00 13.02 O ATOM 1960 CB LEU A 124 -15.994 -0.475 0.869 1.00 52.04 C ATOM 1961 CG LEU A 124 -15.827 0.972 1.382 1.00 34.32 C ATOM 1962 CD1 LEU A 124 -16.971 1.485 2.265 1.00 12.44 C ATOM 1963 CD2 LEU A 124 -14.543 1.087 2.168 1.00 31.21 C ATOM 0 H LEU A 124 -16.927 -2.451 -0.678 1.00 14.44 H new ATOM 0 HA LEU A 124 -17.898 -0.951 1.707 1.00 14.45 H new ATOM 0 HB2 LEU A 124 -15.459 -1.140 1.548 1.00 52.04 H new ATOM 0 HB3 LEU A 124 -15.504 -0.550 -0.102 1.00 52.04 H new ATOM 0 HG LEU A 124 -15.823 1.590 0.484 1.00 34.32 H new ATOM 0 HD11 LEU A 124 -16.761 2.509 2.574 1.00 12.44 H new ATOM 0 HD12 LEU A 124 -17.904 1.460 1.702 1.00 12.44 H new ATOM 0 HD13 LEU A 124 -17.062 0.851 3.147 1.00 12.44 H new ATOM 0 HD21 LEU A 124 -14.428 2.109 2.529 1.00 31.21 H new ATOM 0 HD22 LEU A 124 -14.574 0.404 3.017 1.00 31.21 H new ATOM 0 HD23 LEU A 124 -13.700 0.831 1.527 1.00 31.21 H new ATOM 1975 N PRO A 125 -19.660 -0.088 0.023 1.00 55.32 N ATOM 1976 CA PRO A 125 -20.560 0.717 -0.803 1.00 21.15 C ATOM 1977 C PRO A 125 -20.218 2.206 -0.694 1.00 55.13 C ATOM 1978 O PRO A 125 -19.780 2.680 0.358 1.00 72.34 O ATOM 1979 CB PRO A 125 -21.966 0.434 -0.267 1.00 43.43 C ATOM 1980 CG PRO A 125 -21.713 0.093 1.199 1.00 14.15 C ATOM 1981 CD PRO A 125 -20.395 -0.672 1.136 1.00 63.20 C ATOM 0 HA PRO A 125 -20.474 0.463 -1.860 1.00 21.15 H new ATOM 0 HB2 PRO A 125 -22.620 1.300 -0.373 1.00 43.43 H new ATOM 0 HB3 PRO A 125 -22.441 -0.391 -0.797 1.00 43.43 H new ATOM 0 HG2 PRO A 125 -21.634 0.988 1.816 1.00 14.15 H new ATOM 0 HG3 PRO A 125 -22.515 -0.514 1.619 1.00 14.15 H new ATOM 0 HD2 PRO A 125 -19.839 -0.574 2.068 1.00 63.20 H new ATOM 0 HD3 PRO A 125 -20.566 -1.737 0.978 1.00 63.20 H new ATOM 1989 N ILE A 126 -20.470 2.971 -1.763 1.00 32.21 N ATOM 1990 CA ILE A 126 -20.061 4.374 -1.825 1.00 55.04 C ATOM 1991 C ILE A 126 -20.726 5.179 -0.690 1.00 72.14 C ATOM 1992 O ILE A 126 -20.114 6.096 -0.136 1.00 34.14 O ATOM 1993 CB ILE A 126 -20.350 4.978 -3.218 1.00 61.14 C ATOM 1994 CG1 ILE A 126 -19.551 4.240 -4.319 1.00 54.43 C ATOM 1995 CG2 ILE A 126 -19.975 6.473 -3.269 1.00 75.22 C ATOM 1996 CD1 ILE A 126 -20.426 3.368 -5.210 1.00 14.04 C ATOM 0 H ILE A 126 -20.956 2.639 -2.596 1.00 32.21 H new ATOM 0 HA ILE A 126 -18.982 4.430 -1.677 1.00 55.04 H new ATOM 0 HB ILE A 126 -21.419 4.863 -3.395 1.00 61.14 H new ATOM 0 HG12 ILE A 126 -19.032 4.973 -4.936 1.00 54.43 H new ATOM 0 HG13 ILE A 126 -18.787 3.619 -3.851 1.00 54.43 H new ATOM 0 HG21 ILE A 126 -20.190 6.868 -4.262 1.00 75.22 H new ATOM 0 HG22 ILE A 126 -20.557 7.020 -2.527 1.00 75.22 H new ATOM 0 HG23 ILE A 126 -18.913 6.589 -3.055 1.00 75.22 H new ATOM 0 HD11 ILE A 126 -19.806 2.878 -5.961 1.00 14.04 H new ATOM 0 HD12 ILE A 126 -20.925 2.613 -4.603 1.00 14.04 H new ATOM 0 HD13 ILE A 126 -21.174 3.988 -5.705 1.00 14.04 H new ATOM 2008 N ASN A 127 -21.960 4.828 -0.311 1.00 2.03 N ATOM 2009 CA ASN A 127 -22.754 5.582 0.661 1.00 41.14 C ATOM 2010 C ASN A 127 -22.208 5.541 2.093 1.00 11.32 C ATOM 2011 O ASN A 127 -22.725 6.267 2.940 1.00 72.41 O ATOM 2012 CB ASN A 127 -24.213 5.117 0.634 1.00 13.23 C ATOM 2013 CG ASN A 127 -24.483 3.876 1.473 1.00 73.34 C ATOM 2014 OD1 ASN A 127 -24.247 2.762 1.021 1.00 1.22 O ATOM 2015 ND2 ASN A 127 -25.024 4.017 2.669 1.00 60.32 N ATOM 0 H ASN A 127 -22.439 4.004 -0.675 1.00 2.03 H new ATOM 0 HA ASN A 127 -22.687 6.624 0.350 1.00 41.14 H new ATOM 0 HB2 ASN A 127 -24.849 5.928 0.989 1.00 13.23 H new ATOM 0 HB3 ASN A 127 -24.500 4.915 -0.398 1.00 13.23 H new ATOM 0 HD21 ASN A 127 -25.250 3.193 3.227 1.00 60.32 H new ATOM 0 HD22 ASN A 127 -25.216 4.949 3.035 1.00 60.32 H new ATOM 2022 N GLU A 128 -21.193 4.717 2.357 1.00 20.52 N ATOM 2023 CA GLU A 128 -20.475 4.611 3.638 1.00 71.54 C ATOM 2024 C GLU A 128 -18.955 4.828 3.456 1.00 44.11 C ATOM 2025 O GLU A 128 -18.175 4.698 4.398 1.00 34.34 O ATOM 2026 CB GLU A 128 -20.778 3.241 4.268 1.00 2.24 C ATOM 2027 CG GLU A 128 -22.219 3.104 4.792 1.00 23.23 C ATOM 2028 CD GLU A 128 -22.411 3.367 6.293 1.00 0.35 C ATOM 2029 OE1 GLU A 128 -21.676 4.157 6.924 1.00 1.03 O ATOM 2030 OE2 GLU A 128 -23.374 2.768 6.841 1.00 54.24 O ATOM 0 H GLU A 128 -20.829 4.074 1.654 1.00 20.52 H new ATOM 0 HA GLU A 128 -20.821 5.398 4.308 1.00 71.54 H new ATOM 0 HB2 GLU A 128 -20.595 2.462 3.528 1.00 2.24 H new ATOM 0 HB3 GLU A 128 -20.084 3.068 5.091 1.00 2.24 H new ATOM 0 HG2 GLU A 128 -22.855 3.794 4.237 1.00 23.23 H new ATOM 0 HG3 GLU A 128 -22.572 2.097 4.571 1.00 23.23 H new ATOM 2037 N LEU A 129 -18.513 5.145 2.235 1.00 3.34 N ATOM 2038 CA LEU A 129 -17.111 5.260 1.838 1.00 23.45 C ATOM 2039 C LEU A 129 -16.412 6.399 2.550 1.00 75.43 C ATOM 2040 O LEU A 129 -15.275 6.249 2.997 1.00 72.13 O ATOM 2041 CB LEU A 129 -17.077 5.382 0.320 1.00 43.01 C ATOM 2042 CG LEU A 129 -15.675 5.213 -0.266 1.00 72.51 C ATOM 2043 CD1 LEU A 129 -15.830 4.837 -1.734 1.00 64.32 C ATOM 2044 CD2 LEU A 129 -14.864 6.486 -0.265 1.00 11.10 C ATOM 0 H LEU A 129 -19.153 5.336 1.464 1.00 3.34 H new ATOM 0 HA LEU A 129 -16.552 4.374 2.138 1.00 23.45 H new ATOM 0 HB2 LEU A 129 -17.738 4.631 -0.113 1.00 43.01 H new ATOM 0 HB3 LEU A 129 -17.469 6.357 0.031 1.00 43.01 H new ATOM 0 HG LEU A 129 -15.167 4.467 0.346 1.00 72.51 H new ATOM 0 HD11 LEU A 129 -14.845 4.709 -2.183 1.00 64.32 H new ATOM 0 HD12 LEU A 129 -16.389 3.905 -1.814 1.00 64.32 H new ATOM 0 HD13 LEU A 129 -16.367 5.628 -2.257 1.00 64.32 H new ATOM 0 HD21 LEU A 129 -13.881 6.292 -0.695 1.00 11.10 H new ATOM 0 HD22 LEU A 129 -15.376 7.244 -0.858 1.00 11.10 H new ATOM 0 HD23 LEU A 129 -14.748 6.843 0.758 1.00 11.10 H new ATOM 2056 N GLU A 130 -17.074 7.545 2.618 1.00 15.33 N ATOM 2057 CA GLU A 130 -16.554 8.729 3.288 1.00 0.23 C ATOM 2058 C GLU A 130 -16.129 8.387 4.725 1.00 54.31 C ATOM 2059 O GLU A 130 -15.107 8.882 5.203 1.00 24.50 O ATOM 2060 CB GLU A 130 -17.609 9.844 3.292 1.00 3.34 C ATOM 2061 CG GLU A 130 -18.251 10.156 1.934 1.00 11.32 C ATOM 2062 CD GLU A 130 -19.185 11.373 1.976 1.00 41.32 C ATOM 2063 OE1 GLU A 130 -19.685 11.732 3.074 1.00 71.51 O ATOM 2064 OE2 GLU A 130 -19.446 11.935 0.889 1.00 60.55 O ATOM 0 H GLU A 130 -17.997 7.681 2.205 1.00 15.33 H new ATOM 0 HA GLU A 130 -15.678 9.082 2.743 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -18.398 9.570 3.992 1.00 3.34 H new ATOM 0 HB3 GLU A 130 -17.147 10.755 3.673 1.00 3.34 H new ATOM 0 HG2 GLU A 130 -17.465 10.333 1.199 1.00 11.32 H new ATOM 0 HG3 GLU A 130 -18.813 9.285 1.596 1.00 11.32 H new ATOM 2071 N GLU A 131 -16.886 7.529 5.410 1.00 31.41 N ATOM 2072 CA GLU A 131 -16.572 7.052 6.751 1.00 24.41 C ATOM 2073 C GLU A 131 -15.238 6.293 6.759 1.00 21.21 C ATOM 2074 O GLU A 131 -14.435 6.463 7.672 1.00 61.23 O ATOM 2075 CB GLU A 131 -17.712 6.134 7.243 1.00 1.43 C ATOM 2076 CG GLU A 131 -17.940 6.206 8.755 1.00 13.44 C ATOM 2077 CD GLU A 131 -18.894 7.348 9.106 1.00 0.23 C ATOM 2078 OE1 GLU A 131 -18.498 8.536 8.996 1.00 43.05 O ATOM 2079 OE2 GLU A 131 -20.052 7.083 9.493 1.00 13.42 O ATOM 0 H GLU A 131 -17.752 7.140 5.037 1.00 31.41 H new ATOM 0 HA GLU A 131 -16.477 7.907 7.420 1.00 24.41 H new ATOM 0 HB2 GLU A 131 -18.635 6.406 6.730 1.00 1.43 H new ATOM 0 HB3 GLU A 131 -17.485 5.105 6.966 1.00 1.43 H new ATOM 0 HG2 GLU A 131 -18.350 5.261 9.111 1.00 13.44 H new ATOM 0 HG3 GLU A 131 -16.988 6.352 9.264 1.00 13.44 H new ATOM 2086 N THR A 132 -14.973 5.478 5.735 1.00 2.42 N ATOM 2087 CA THR A 132 -13.745 4.697 5.633 1.00 34.10 C ATOM 2088 C THR A 132 -12.548 5.609 5.377 1.00 75.35 C ATOM 2089 O THR A 132 -11.498 5.423 5.991 1.00 41.12 O ATOM 2090 CB THR A 132 -13.879 3.675 4.502 1.00 40.31 C ATOM 2091 OG1 THR A 132 -15.077 2.948 4.670 1.00 35.41 O ATOM 2092 CG2 THR A 132 -12.686 2.712 4.452 1.00 31.53 C ATOM 0 H THR A 132 -15.610 5.343 4.950 1.00 2.42 H new ATOM 0 HA THR A 132 -13.582 4.174 6.575 1.00 34.10 H new ATOM 0 HB THR A 132 -13.898 4.219 3.557 1.00 40.31 H new ATOM 0 HG1 THR A 132 -14.870 1.995 4.769 1.00 35.41 H new ATOM 0 HG21 THR A 132 -12.824 2.004 3.634 1.00 31.53 H new ATOM 0 HG22 THR A 132 -11.768 3.278 4.292 1.00 31.53 H new ATOM 0 HG23 THR A 132 -12.617 2.169 5.394 1.00 31.53 H new ATOM 2100 N ILE A 133 -12.682 6.585 4.470 1.00 3.33 N ATOM 2101 CA ILE A 133 -11.631 7.575 4.258 1.00 21.11 C ATOM 2102 C ILE A 133 -11.298 8.265 5.588 1.00 13.11 C ATOM 2103 O ILE A 133 -10.121 8.534 5.802 1.00 44.24 O ATOM 2104 CB ILE A 133 -11.982 8.543 3.107 1.00 61.34 C ATOM 2105 CG1 ILE A 133 -12.214 7.783 1.781 1.00 34.40 C ATOM 2106 CG2 ILE A 133 -10.800 9.477 2.838 1.00 73.51 C ATOM 2107 CD1 ILE A 133 -12.577 8.710 0.612 1.00 24.50 C ATOM 0 H ILE A 133 -13.503 6.706 3.878 1.00 3.33 H new ATOM 0 HA ILE A 133 -10.719 7.078 3.925 1.00 21.11 H new ATOM 0 HB ILE A 133 -12.880 9.080 3.412 1.00 61.34 H new ATOM 0 HG12 ILE A 133 -11.314 7.223 1.527 1.00 34.40 H new ATOM 0 HG13 ILE A 133 -13.013 7.055 1.921 1.00 34.40 H new ATOM 0 HG21 ILE A 133 -11.052 10.158 2.025 1.00 73.51 H new ATOM 0 HG22 ILE A 133 -10.578 10.052 3.737 1.00 73.51 H new ATOM 0 HG23 ILE A 133 -9.926 8.887 2.560 1.00 73.51 H new ATOM 0 HD11 ILE A 133 -12.727 8.117 -0.290 1.00 24.50 H new ATOM 0 HD12 ILE A 133 -13.494 9.251 0.847 1.00 24.50 H new ATOM 0 HD13 ILE A 133 -11.768 9.422 0.447 1.00 24.50 H new ATOM 2119 N GLN A 134 -12.235 8.499 6.508 1.00 74.15 N ATOM 2120 CA GLN A 134 -11.849 8.987 7.826 1.00 63.44 C ATOM 2121 C GLN A 134 -11.193 7.896 8.684 1.00 53.11 C ATOM 2122 O GLN A 134 -10.179 8.158 9.324 1.00 15.04 O ATOM 2123 CB GLN A 134 -13.052 9.605 8.526 1.00 60.35 C ATOM 2124 CG GLN A 134 -13.572 10.850 7.794 1.00 43.21 C ATOM 2125 CD GLN A 134 -12.768 12.137 8.026 1.00 1.11 C ATOM 2126 OE1 GLN A 134 -11.751 12.169 8.710 1.00 35.23 O ATOM 2127 NE2 GLN A 134 -13.229 13.257 7.492 1.00 42.35 N ATOM 0 H GLN A 134 -13.236 8.363 6.369 1.00 74.15 H new ATOM 0 HA GLN A 134 -11.092 9.759 7.688 1.00 63.44 H new ATOM 0 HB2 GLN A 134 -13.850 8.866 8.594 1.00 60.35 H new ATOM 0 HB3 GLN A 134 -12.778 9.873 9.546 1.00 60.35 H new ATOM 0 HG2 GLN A 134 -13.589 10.641 6.724 1.00 43.21 H new ATOM 0 HG3 GLN A 134 -14.603 11.026 8.101 1.00 43.21 H new ATOM 0 HE21 GLN A 134 -14.074 13.240 6.922 1.00 42.35 H new ATOM 0 HE22 GLN A 134 -12.739 14.137 7.651 1.00 42.35 H new ATOM 2136 N ALA A 135 -11.717 6.668 8.687 1.00 15.02 N ATOM 2137 CA ALA A 135 -11.258 5.612 9.595 1.00 73.13 C ATOM 2138 C ALA A 135 -9.774 5.289 9.442 1.00 34.23 C ATOM 2139 O ALA A 135 -9.114 4.987 10.434 1.00 30.11 O ATOM 2140 CB ALA A 135 -12.048 4.322 9.370 1.00 31.40 C ATOM 0 H ALA A 135 -12.469 6.377 8.062 1.00 15.02 H new ATOM 0 HA ALA A 135 -11.423 6.000 10.600 1.00 73.13 H new ATOM 0 HB1 ALA A 135 -11.691 3.552 10.054 1.00 31.40 H new ATOM 0 HB2 ALA A 135 -13.107 4.507 9.553 1.00 31.40 H new ATOM 0 HB3 ALA A 135 -11.911 3.986 8.342 1.00 31.40 H new ATOM 2146 N VAL A 136 -9.237 5.329 8.225 1.00 20.40 N ATOM 2147 CA VAL A 136 -7.822 5.030 8.012 1.00 41.33 C ATOM 2148 C VAL A 136 -6.917 6.128 8.586 1.00 31.10 C ATOM 2149 O VAL A 136 -5.729 5.930 8.827 1.00 32.20 O ATOM 2150 CB VAL A 136 -7.605 4.756 6.518 1.00 31.24 C ATOM 2151 CG1 VAL A 136 -8.000 5.870 5.566 1.00 33.33 C ATOM 2152 CG2 VAL A 136 -6.172 4.347 6.184 1.00 60.31 C ATOM 0 H VAL A 136 -9.754 5.563 7.378 1.00 20.40 H new ATOM 0 HA VAL A 136 -7.536 4.133 8.561 1.00 41.33 H new ATOM 0 HB VAL A 136 -8.294 3.928 6.354 1.00 31.24 H new ATOM 0 HG11 VAL A 136 -7.800 5.560 4.540 1.00 33.33 H new ATOM 0 HG12 VAL A 136 -9.062 6.086 5.680 1.00 33.33 H new ATOM 0 HG13 VAL A 136 -7.421 6.765 5.793 1.00 33.33 H new ATOM 0 HG21 VAL A 136 -6.085 4.168 5.112 1.00 60.31 H new ATOM 0 HG22 VAL A 136 -5.489 5.145 6.475 1.00 60.31 H new ATOM 0 HG23 VAL A 136 -5.918 3.436 6.726 1.00 60.31 H new ATOM 2162 N GLN A 137 -7.461 7.317 8.817 1.00 20.11 N ATOM 2163 CA GLN A 137 -6.705 8.451 9.309 1.00 24.53 C ATOM 2164 C GLN A 137 -6.456 8.258 10.809 1.00 31.41 C ATOM 2165 O GLN A 137 -5.412 8.683 11.293 1.00 34.04 O ATOM 2166 CB GLN A 137 -7.471 9.747 9.003 1.00 20.52 C ATOM 2167 CG GLN A 137 -7.975 9.850 7.547 1.00 71.22 C ATOM 2168 CD GLN A 137 -7.102 10.690 6.617 1.00 31.51 C ATOM 2169 OE1 GLN A 137 -6.841 11.873 6.816 1.00 13.00 O ATOM 2170 NE2 GLN A 137 -6.660 10.117 5.510 1.00 73.31 N ATOM 0 H GLN A 137 -8.449 7.518 8.665 1.00 20.11 H new ATOM 0 HA GLN A 137 -5.737 8.524 8.813 1.00 24.53 H new ATOM 0 HB2 GLN A 137 -8.324 9.821 9.678 1.00 20.52 H new ATOM 0 HB3 GLN A 137 -6.823 10.598 9.213 1.00 20.52 H new ATOM 0 HG2 GLN A 137 -8.055 8.844 7.135 1.00 71.22 H new ATOM 0 HG3 GLN A 137 -8.980 10.272 7.556 1.00 71.22 H new ATOM 0 HE21 GLN A 137 -6.866 9.135 5.327 1.00 73.31 H new ATOM 0 HE22 GLN A 137 -6.113 10.657 4.840 1.00 73.31 H new ATOM 2179 N GLU A 138 -7.356 7.554 11.511 1.00 5.42 N ATOM 2180 CA GLU A 138 -7.225 7.199 12.916 1.00 13.12 C ATOM 2181 C GLU A 138 -6.026 6.277 13.126 1.00 2.51 C ATOM 2182 O GLU A 138 -5.099 6.625 13.861 1.00 33.43 O ATOM 2183 CB GLU A 138 -8.520 6.542 13.422 1.00 64.34 C ATOM 2184 CG GLU A 138 -9.603 7.559 13.784 1.00 53.21 C ATOM 2185 CD GLU A 138 -9.154 8.459 14.934 1.00 14.04 C ATOM 2186 OE1 GLU A 138 -9.092 7.986 16.090 1.00 42.14 O ATOM 2187 OE2 GLU A 138 -8.852 9.650 14.690 1.00 52.24 O ATOM 0 H GLU A 138 -8.221 7.209 11.095 1.00 5.42 H new ATOM 0 HA GLU A 138 -7.055 8.108 13.493 1.00 13.12 H new ATOM 0 HB2 GLU A 138 -8.903 5.869 12.655 1.00 64.34 H new ATOM 0 HB3 GLU A 138 -8.294 5.933 14.297 1.00 64.34 H new ATOM 0 HG2 GLU A 138 -9.839 8.169 12.912 1.00 53.21 H new ATOM 0 HG3 GLU A 138 -10.518 7.036 14.064 1.00 53.21 H new ATOM 2194 N GLU A 139 -6.015 5.111 12.475 1.00 22.32 N ATOM 2195 CA GLU A 139 -4.867 4.209 12.599 1.00 1.11 C ATOM 2196 C GLU A 139 -3.557 4.886 12.151 1.00 3.41 C ATOM 2197 O GLU A 139 -2.496 4.662 12.746 1.00 42.45 O ATOM 2198 CB GLU A 139 -5.064 2.814 12.010 1.00 42.22 C ATOM 2199 CG GLU A 139 -5.686 2.902 10.644 1.00 22.44 C ATOM 2200 CD GLU A 139 -5.301 1.700 9.775 1.00 54.21 C ATOM 2201 OE1 GLU A 139 -5.587 0.534 10.125 1.00 5.04 O ATOM 2202 OE2 GLU A 139 -4.677 1.903 8.713 1.00 24.52 O ATOM 0 H GLU A 139 -6.766 4.775 11.872 1.00 22.32 H new ATOM 0 HA GLU A 139 -4.779 4.011 13.667 1.00 1.11 H new ATOM 0 HB2 GLU A 139 -4.104 2.301 11.947 1.00 42.22 H new ATOM 0 HB3 GLU A 139 -5.700 2.221 12.668 1.00 42.22 H new ATOM 0 HG2 GLU A 139 -6.771 2.951 10.739 1.00 22.44 H new ATOM 0 HG3 GLU A 139 -5.367 3.823 10.156 1.00 22.44 H new ATOM 2209 N ASN A 140 -3.633 5.773 11.151 1.00 22.31 N ATOM 2210 CA ASN A 140 -2.486 6.535 10.673 1.00 61.35 C ATOM 2211 C ASN A 140 -1.949 7.479 11.741 1.00 33.21 C ATOM 2212 O ASN A 140 -0.739 7.493 11.944 1.00 43.34 O ATOM 2213 CB ASN A 140 -2.819 7.352 9.418 1.00 34.20 C ATOM 2214 CG ASN A 140 -2.741 6.560 8.124 1.00 15.50 C ATOM 2215 OD1 ASN A 140 -2.617 5.347 8.087 1.00 73.11 O ATOM 2216 ND2 ASN A 140 -2.769 7.258 7.003 1.00 71.21 N ATOM 0 H ASN A 140 -4.499 5.979 10.652 1.00 22.31 H new ATOM 0 HA ASN A 140 -1.723 5.797 10.426 1.00 61.35 H new ATOM 0 HB2 ASN A 140 -3.824 7.762 9.520 1.00 34.20 H new ATOM 0 HB3 ASN A 140 -2.134 8.198 9.356 1.00 34.20 H new ATOM 0 HD21 ASN A 140 -2.687 6.783 6.104 1.00 71.21 H new ATOM 0 HD22 ASN A 140 -2.873 8.272 7.036 1.00 71.21 H new ATOM 2223 N LYS A 141 -2.787 8.297 12.398 1.00 24.12 N ATOM 2224 CA LYS A 141 -2.278 9.234 13.409 1.00 22.00 C ATOM 2225 C LYS A 141 -1.621 8.484 14.552 1.00 25.32 C ATOM 2226 O LYS A 141 -0.586 8.922 15.052 1.00 72.45 O ATOM 2227 CB LYS A 141 -3.324 10.215 13.947 1.00 61.21 C ATOM 2228 CG LYS A 141 -4.582 9.557 14.505 1.00 14.11 C ATOM 2229 CD LYS A 141 -5.515 10.532 15.209 1.00 1.10 C ATOM 2230 CE LYS A 141 -5.016 10.814 16.628 1.00 21.40 C ATOM 2231 NZ LYS A 141 -5.876 11.779 17.333 1.00 70.12 N ATOM 0 H LYS A 141 -3.796 8.329 12.252 1.00 24.12 H new ATOM 0 HA LYS A 141 -1.538 9.844 12.892 1.00 22.00 H new ATOM 0 HB2 LYS A 141 -2.867 10.819 14.731 1.00 61.21 H new ATOM 0 HB3 LYS A 141 -3.611 10.896 13.146 1.00 61.21 H new ATOM 0 HG2 LYS A 141 -5.122 9.074 13.691 1.00 14.11 H new ATOM 0 HG3 LYS A 141 -4.293 8.773 15.205 1.00 14.11 H new ATOM 0 HD2 LYS A 141 -5.572 11.463 14.645 1.00 1.10 H new ATOM 0 HD3 LYS A 141 -6.523 10.119 15.246 1.00 1.10 H new ATOM 0 HE2 LYS A 141 -4.979 9.882 17.191 1.00 21.40 H new ATOM 0 HE3 LYS A 141 -3.998 11.200 16.584 1.00 21.40 H new ATOM 0 HZ1 LYS A 141 -5.503 11.942 18.290 1.00 70.12 H new ATOM 0 HZ2 LYS A 141 -5.891 12.678 16.810 1.00 70.12 H new ATOM 0 HZ3 LYS A 141 -6.842 11.400 17.398 1.00 70.12 H new ATOM 2245 N ALA A 142 -2.235 7.373 14.958 1.00 41.22 N ATOM 2246 CA ALA A 142 -1.742 6.537 16.034 1.00 23.04 C ATOM 2247 C ALA A 142 -0.310 6.097 15.721 1.00 2.34 C ATOM 2248 O ALA A 142 0.543 6.183 16.607 1.00 2.20 O ATOM 2249 CB ALA A 142 -2.696 5.359 16.261 1.00 61.33 C ATOM 0 H ALA A 142 -3.099 7.030 14.539 1.00 41.22 H new ATOM 0 HA ALA A 142 -1.710 7.097 16.968 1.00 23.04 H new ATOM 0 HB1 ALA A 142 -2.318 4.736 17.071 1.00 61.33 H new ATOM 0 HB2 ALA A 142 -3.684 5.737 16.524 1.00 61.33 H new ATOM 0 HB3 ALA A 142 -2.765 4.766 15.349 1.00 61.33 H new ATOM 2255 N PHE A 143 -0.054 5.700 14.468 1.00 43.31 N ATOM 2256 CA PHE A 143 1.261 5.357 13.961 1.00 42.35 C ATOM 2257 C PHE A 143 2.184 6.582 13.934 1.00 51.42 C ATOM 2258 O PHE A 143 3.222 6.577 14.595 1.00 65.05 O ATOM 2259 CB PHE A 143 1.092 4.724 12.570 1.00 51.44 C ATOM 2260 CG PHE A 143 2.391 4.337 11.881 1.00 74.03 C ATOM 2261 CD1 PHE A 143 3.058 5.275 11.069 1.00 71.01 C ATOM 2262 CD2 PHE A 143 2.934 3.049 12.035 1.00 10.41 C ATOM 2263 CE1 PHE A 143 4.261 4.935 10.424 1.00 50.54 C ATOM 2264 CE2 PHE A 143 4.141 2.710 11.398 1.00 73.12 C ATOM 2265 CZ PHE A 143 4.805 3.650 10.591 1.00 21.30 C ATOM 0 H PHE A 143 -0.787 5.609 13.764 1.00 43.31 H new ATOM 0 HA PHE A 143 1.741 4.636 14.623 1.00 42.35 H new ATOM 0 HB2 PHE A 143 0.469 3.835 12.665 1.00 51.44 H new ATOM 0 HB3 PHE A 143 0.553 5.424 11.931 1.00 51.44 H new ATOM 0 HD1 PHE A 143 2.642 6.263 10.941 1.00 71.01 H new ATOM 0 HD2 PHE A 143 2.423 2.318 12.644 1.00 10.41 H new ATOM 0 HE1 PHE A 143 4.765 5.660 9.802 1.00 50.54 H new ATOM 0 HE2 PHE A 143 4.560 1.723 11.529 1.00 73.12 H new ATOM 0 HZ PHE A 143 5.730 3.386 10.101 1.00 21.30 H new ATOM 2275 N GLU A 144 1.859 7.618 13.146 1.00 34.01 N ATOM 2276 CA GLU A 144 2.817 8.674 12.810 1.00 4.51 C ATOM 2277 C GLU A 144 3.275 9.464 14.035 1.00 25.20 C ATOM 2278 O GLU A 144 4.419 9.920 14.078 1.00 65.25 O ATOM 2279 CB GLU A 144 2.312 9.619 11.711 1.00 35.30 C ATOM 2280 CG GLU A 144 0.995 10.331 12.015 1.00 72.22 C ATOM 2281 CD GLU A 144 0.922 11.760 11.474 1.00 62.24 C ATOM 2282 OE1 GLU A 144 1.354 12.019 10.330 1.00 11.43 O ATOM 2283 OE2 GLU A 144 0.340 12.631 12.168 1.00 13.31 O ATOM 0 H GLU A 144 0.936 7.744 12.730 1.00 34.01 H new ATOM 0 HA GLU A 144 3.685 8.151 12.410 1.00 4.51 H new ATOM 0 HB2 GLU A 144 3.077 10.372 11.522 1.00 35.30 H new ATOM 0 HB3 GLU A 144 2.193 9.048 10.790 1.00 35.30 H new ATOM 0 HG2 GLU A 144 0.174 9.751 11.593 1.00 72.22 H new ATOM 0 HG3 GLU A 144 0.847 10.354 13.095 1.00 72.22 H new ATOM 2290 N GLU A 145 2.423 9.572 15.054 1.00 45.55 N ATOM 2291 CA GLU A 145 2.718 10.229 16.318 1.00 74.35 C ATOM 2292 C GLU A 145 3.992 9.647 16.950 1.00 12.42 C ATOM 2293 O GLU A 145 4.824 10.376 17.503 1.00 74.25 O ATOM 2294 CB GLU A 145 1.483 10.042 17.203 1.00 73.43 C ATOM 2295 CG GLU A 145 1.656 10.581 18.619 1.00 72.24 C ATOM 2296 CD GLU A 145 0.398 10.323 19.451 1.00 71.05 C ATOM 2297 OE1 GLU A 145 -0.596 11.078 19.365 1.00 22.31 O ATOM 2298 OE2 GLU A 145 0.389 9.319 20.197 1.00 71.05 O ATOM 0 H GLU A 145 1.478 9.190 15.017 1.00 45.55 H new ATOM 0 HA GLU A 145 2.919 11.292 16.184 1.00 74.35 H new ATOM 0 HB2 GLU A 145 0.633 10.540 16.736 1.00 73.43 H new ATOM 0 HB3 GLU A 145 1.242 8.980 17.255 1.00 73.43 H new ATOM 0 HG2 GLU A 145 2.515 10.106 19.092 1.00 72.24 H new ATOM 0 HG3 GLU A 145 1.862 11.651 18.584 1.00 72.24 H new ATOM 2305 N LEU A 146 4.148 8.330 16.833 1.00 54.32 N ATOM 2306 CA LEU A 146 5.270 7.543 17.331 1.00 14.54 C ATOM 2307 C LEU A 146 6.283 7.193 16.240 1.00 61.32 C ATOM 2308 O LEU A 146 7.316 6.608 16.565 1.00 70.43 O ATOM 2309 CB LEU A 146 4.750 6.267 18.027 1.00 33.33 C ATOM 2310 CG LEU A 146 4.111 6.454 19.422 1.00 62.45 C ATOM 2311 CD1 LEU A 146 4.814 7.505 20.292 1.00 31.20 C ATOM 2312 CD2 LEU A 146 2.623 6.787 19.342 1.00 53.25 C ATOM 0 H LEU A 146 3.453 7.752 16.360 1.00 54.32 H new ATOM 0 HA LEU A 146 5.802 8.161 18.055 1.00 14.54 H new ATOM 0 HB2 LEU A 146 4.013 5.798 17.374 1.00 33.33 H new ATOM 0 HB3 LEU A 146 5.581 5.568 18.123 1.00 33.33 H new ATOM 0 HG LEU A 146 4.239 5.484 19.903 1.00 62.45 H new ATOM 0 HD11 LEU A 146 4.308 7.578 21.254 1.00 31.20 H new ATOM 0 HD12 LEU A 146 5.852 7.212 20.450 1.00 31.20 H new ATOM 0 HD13 LEU A 146 4.782 8.472 19.791 1.00 31.20 H new ATOM 0 HD21 LEU A 146 2.223 6.908 20.349 1.00 53.25 H new ATOM 0 HD22 LEU A 146 2.487 7.713 18.783 1.00 53.25 H new ATOM 0 HD23 LEU A 146 2.096 5.978 18.837 1.00 53.25 H new ATOM 2324 N HIS A 147 6.053 7.566 14.981 1.00 21.01 N ATOM 2325 CA HIS A 147 6.959 7.276 13.870 1.00 64.41 C ATOM 2326 C HIS A 147 7.360 8.545 13.103 1.00 3.32 C ATOM 2327 O HIS A 147 7.015 8.701 11.923 1.00 62.34 O ATOM 2328 CB HIS A 147 6.386 6.141 13.012 1.00 34.22 C ATOM 2329 CG HIS A 147 6.545 4.815 13.713 1.00 30.01 C ATOM 2330 ND1 HIS A 147 7.741 4.153 13.903 1.00 33.44 N ATOM 2331 CD2 HIS A 147 5.577 4.140 14.409 1.00 72.22 C ATOM 2332 CE1 HIS A 147 7.489 3.087 14.679 1.00 22.20 C ATOM 2333 NE2 HIS A 147 6.192 3.037 15.013 1.00 13.11 N ATOM 0 H HIS A 147 5.221 8.085 14.701 1.00 21.01 H new ATOM 0 HA HIS A 147 7.908 6.907 14.258 1.00 64.41 H new ATOM 0 HB2 HIS A 147 5.331 6.328 12.810 1.00 34.22 H new ATOM 0 HB3 HIS A 147 6.895 6.113 12.049 1.00 34.22 H new ATOM 0 HD2 HIS A 147 4.533 4.409 14.479 1.00 72.22 H new ATOM 0 HE1 HIS A 147 8.231 2.367 14.992 1.00 22.20 H new ATOM 0 HE2 HIS A 147 5.740 2.332 15.595 1.00 13.11 H new ATOM 2341 N PRO A 148 8.148 9.431 13.750 1.00 52.44 N ATOM 2342 CA PRO A 148 8.867 10.518 13.095 1.00 60.32 C ATOM 2343 C PRO A 148 10.078 9.960 12.340 1.00 3.22 C ATOM 2344 O PRO A 148 11.078 10.680 12.150 1.00 71.13 O ATOM 2345 CB PRO A 148 9.285 11.434 14.250 1.00 4.14 C ATOM 2346 CG PRO A 148 9.608 10.438 15.360 1.00 53.32 C ATOM 2347 CD PRO A 148 8.540 9.370 15.158 1.00 41.43 C ATOM 0 HA PRO A 148 8.272 11.052 12.354 1.00 60.32 H new ATOM 0 HB2 PRO A 148 10.148 12.046 13.990 1.00 4.14 H new ATOM 0 HB3 PRO A 148 8.485 12.116 14.537 1.00 4.14 H new ATOM 0 HG2 PRO A 148 10.614 10.031 15.261 1.00 53.32 H new ATOM 0 HG3 PRO A 148 9.545 10.895 16.348 1.00 53.32 H new ATOM 0 HD2 PRO A 148 8.927 8.383 15.410 1.00 41.43 H new ATOM 0 HD3 PRO A 148 7.683 9.551 15.807 1.00 41.43 H new