USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 543 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 1 GLY N :NH3+ -141:sc=-0.00515 (180deg=-0.63) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -3.31 K(o=-3.3,f=-0.98) USER MOD Single : A 11 SER OG : rot 180:sc= 0.112 USER MOD Single : A 13 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.9) USER MOD Single : A 14 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.0084) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00466 K(o=-0.0047,f=-1.6) USER MOD Single : A 22 SER OG : rot -150:sc= -3.06! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.776 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 131:sc= 2.09 USER MOD Single : A 34 ASN : amide:sc= -1.05 K(o=-1,f=-2.8!) USER MOD Single : A 35 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.024) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0702 USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= -0.0211 (180deg=-0.163) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -27:sc= 0.313! USER MOD Single : A 53 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 54 SER OG : rot 180:sc= -0.291 USER MOD Single : A 57 SER OG : rot 180:sc= -0.321 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 78:sc= 0.298 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.922 -0.548 1.946 1.00 52.40 N ATOM 2 CA GLY A 1 28.517 -0.320 1.663 1.00 2.34 C ATOM 3 C GLY A 1 28.232 1.112 1.255 1.00 40.33 C ATOM 4 O GLY A 1 27.687 1.903 2.024 1.00 43.51 O ATOM 0 H1 GLY A 1 30.202 -1.481 1.583 1.00 52.40 H new ATOM 0 H2 GLY A 1 30.493 0.189 1.485 1.00 52.40 H new ATOM 0 H3 GLY A 1 30.079 -0.515 2.974 1.00 52.40 H new ATOM 0 HA2 GLY A 1 28.196 -0.992 0.867 1.00 2.34 H new ATOM 0 HA3 GLY A 1 27.927 -0.567 2.546 1.00 2.34 H new ATOM 8 N PRO A 2 28.608 1.463 0.016 1.00 51.32 N ATOM 9 CA PRO A 2 28.401 2.811 -0.522 1.00 31.11 C ATOM 10 C PRO A 2 26.929 3.114 -0.777 1.00 10.35 C ATOM 11 O PRO A 2 26.185 2.263 -1.263 1.00 74.03 O ATOM 12 CB PRO A 2 29.178 2.791 -1.840 1.00 33.32 C ATOM 13 CG PRO A 2 29.212 1.356 -2.238 1.00 31.23 C ATOM 14 CD PRO A 2 29.263 0.571 -0.956 1.00 4.45 C ATOM 0 HA PRO A 2 28.734 3.582 0.173 1.00 31.11 H new ATOM 0 HB2 PRO A 2 28.687 3.401 -2.598 1.00 33.32 H new ATOM 0 HB3 PRO A 2 30.184 3.190 -1.713 1.00 33.32 H new ATOM 0 HG2 PRO A 2 28.330 1.092 -2.822 1.00 31.23 H new ATOM 0 HG3 PRO A 2 30.082 1.144 -2.860 1.00 31.23 H new ATOM 0 HD2 PRO A 2 28.738 -0.380 -1.046 1.00 4.45 H new ATOM 0 HD3 PRO A 2 30.288 0.343 -0.665 1.00 4.45 H new ATOM 22 N SER A 3 26.513 4.333 -0.445 1.00 0.11 N ATOM 23 CA SER A 3 25.128 4.747 -0.635 1.00 31.12 C ATOM 24 C SER A 3 25.024 6.265 -0.743 1.00 72.25 C ATOM 25 O SER A 3 25.871 6.995 -0.227 1.00 24.13 O ATOM 26 CB SER A 3 24.261 4.246 0.521 1.00 23.30 C ATOM 27 OG SER A 3 23.031 4.947 0.577 1.00 41.33 O ATOM 0 H SER A 3 27.116 5.051 -0.043 1.00 0.11 H new ATOM 0 HA SER A 3 24.768 4.309 -1.566 1.00 31.12 H new ATOM 0 HB2 SER A 3 24.070 3.180 0.401 1.00 23.30 H new ATOM 0 HB3 SER A 3 24.797 4.370 1.462 1.00 23.30 H new ATOM 0 HG SER A 3 22.494 4.607 1.323 1.00 41.33 H new ATOM 33 N THR A 4 23.980 6.734 -1.420 1.00 61.44 N ATOM 34 CA THR A 4 23.765 8.165 -1.598 1.00 32.43 C ATOM 35 C THR A 4 22.282 8.509 -1.541 1.00 33.02 C ATOM 36 O THR A 4 21.467 7.900 -2.234 1.00 11.30 O ATOM 37 CB THR A 4 24.345 8.657 -2.938 1.00 3.12 C ATOM 38 OG1 THR A 4 24.129 7.674 -3.955 1.00 54.42 O ATOM 39 CG2 THR A 4 25.832 8.945 -2.811 1.00 74.43 C ATOM 0 H THR A 4 23.270 6.144 -1.854 1.00 61.44 H new ATOM 0 HA THR A 4 24.282 8.667 -0.781 1.00 32.43 H new ATOM 0 HB THR A 4 23.835 9.581 -3.212 1.00 3.12 H new ATOM 0 HG1 THR A 4 24.499 7.995 -4.804 1.00 54.42 H new ATOM 0 HG21 THR A 4 26.219 9.291 -3.770 1.00 74.43 H new ATOM 0 HG22 THR A 4 25.990 9.716 -2.057 1.00 74.43 H new ATOM 0 HG23 THR A 4 26.355 8.035 -2.516 1.00 74.43 H new ATOM 47 N SER A 5 21.938 9.488 -0.711 1.00 3.34 N ATOM 48 CA SER A 5 20.550 9.912 -0.561 1.00 13.34 C ATOM 49 C SER A 5 20.101 10.734 -1.765 1.00 2.13 C ATOM 50 O SER A 5 20.804 11.641 -2.208 1.00 11.14 O ATOM 51 CB SER A 5 20.379 10.727 0.721 1.00 21.24 C ATOM 52 OG SER A 5 20.046 9.893 1.817 1.00 11.23 O ATOM 0 H SER A 5 22.601 10.003 -0.132 1.00 3.34 H new ATOM 0 HA SER A 5 19.927 9.019 -0.500 1.00 13.34 H new ATOM 0 HB2 SER A 5 21.301 11.266 0.938 1.00 21.24 H new ATOM 0 HB3 SER A 5 19.598 11.474 0.579 1.00 21.24 H new ATOM 0 HG SER A 5 19.944 10.439 2.624 1.00 11.23 H new ATOM 58 N MET A 6 18.923 10.409 -2.288 1.00 55.52 N ATOM 59 CA MET A 6 18.378 11.118 -3.441 1.00 70.01 C ATOM 60 C MET A 6 16.887 10.837 -3.596 1.00 53.54 C ATOM 61 O MET A 6 16.425 9.727 -3.332 1.00 65.51 O ATOM 62 CB MET A 6 19.121 10.712 -4.714 1.00 55.33 C ATOM 63 CG MET A 6 18.667 11.472 -5.951 1.00 33.24 C ATOM 64 SD MET A 6 19.852 11.364 -7.307 1.00 32.24 S ATOM 65 CE MET A 6 20.792 12.868 -7.055 1.00 2.45 C ATOM 0 H MET A 6 18.328 9.661 -1.933 1.00 55.52 H new ATOM 0 HA MET A 6 18.513 12.187 -3.276 1.00 70.01 H new ATOM 0 HB2 MET A 6 20.189 10.875 -4.569 1.00 55.33 H new ATOM 0 HB3 MET A 6 18.981 9.644 -4.882 1.00 55.33 H new ATOM 0 HG2 MET A 6 17.706 11.079 -6.282 1.00 33.24 H new ATOM 0 HG3 MET A 6 18.511 12.519 -5.692 1.00 33.24 H new ATOM 0 HE1 MET A 6 21.567 12.945 -7.818 1.00 2.45 H new ATOM 0 HE2 MET A 6 20.127 13.729 -7.125 1.00 2.45 H new ATOM 0 HE3 MET A 6 21.255 12.847 -6.069 1.00 2.45 H new ATOM 75 N GLU A 7 16.140 11.849 -4.027 1.00 64.25 N ATOM 76 CA GLU A 7 14.702 11.710 -4.215 1.00 1.51 C ATOM 77 C GLU A 7 14.297 12.112 -5.631 1.00 20.15 C ATOM 78 O GLU A 7 13.663 11.341 -6.349 1.00 13.22 O ATOM 79 CB GLU A 7 13.945 12.563 -3.195 1.00 51.32 C ATOM 80 CG GLU A 7 13.637 11.833 -1.900 1.00 35.54 C ATOM 81 CD GLU A 7 12.450 12.423 -1.164 1.00 41.31 C ATOM 82 OE1 GLU A 7 11.363 12.519 -1.773 1.00 23.03 O ATOM 83 OE2 GLU A 7 12.607 12.790 0.019 1.00 55.00 O ATOM 0 H GLU A 7 16.508 12.773 -4.252 1.00 64.25 H new ATOM 0 HA GLU A 7 14.442 10.662 -4.064 1.00 1.51 H new ATOM 0 HB2 GLU A 7 14.534 13.452 -2.970 1.00 51.32 H new ATOM 0 HB3 GLU A 7 13.011 12.904 -3.641 1.00 51.32 H new ATOM 0 HG2 GLU A 7 13.439 10.783 -2.118 1.00 35.54 H new ATOM 0 HG3 GLU A 7 14.513 11.865 -1.252 1.00 35.54 H new ATOM 90 N ASN A 8 14.668 13.326 -6.024 1.00 32.33 N ATOM 91 CA ASN A 8 14.344 13.832 -7.353 1.00 52.12 C ATOM 92 C ASN A 8 15.240 13.195 -8.411 1.00 2.40 C ATOM 93 O ASN A 8 16.112 13.853 -8.981 1.00 23.11 O ATOM 94 CB ASN A 8 14.492 15.354 -7.392 1.00 63.22 C ATOM 95 CG ASN A 8 14.298 15.919 -8.786 1.00 74.23 C ATOM 96 OD1 ASN A 8 15.234 16.441 -9.392 1.00 44.02 O ATOM 97 ND2 ASN A 8 13.079 15.815 -9.301 1.00 31.01 N ATOM 0 H ASN A 8 15.193 13.978 -5.441 1.00 32.33 H new ATOM 0 HA ASN A 8 13.309 13.569 -7.573 1.00 52.12 H new ATOM 0 HB2 ASN A 8 13.765 15.804 -6.716 1.00 63.22 H new ATOM 0 HB3 ASN A 8 15.481 15.630 -7.026 1.00 63.22 H new ATOM 0 HD21 ASN A 8 12.888 16.176 -10.236 1.00 31.01 H new ATOM 0 HD22 ASN A 8 12.334 15.374 -8.762 1.00 31.01 H new ATOM 104 N LEU A 9 15.019 11.911 -8.670 1.00 3.31 N ATOM 105 CA LEU A 9 15.805 11.185 -9.661 1.00 32.12 C ATOM 106 C LEU A 9 15.103 11.177 -11.015 1.00 41.52 C ATOM 107 O LEU A 9 15.476 10.426 -11.916 1.00 32.13 O ATOM 108 CB LEU A 9 16.051 9.749 -9.193 1.00 0.41 C ATOM 109 CG LEU A 9 14.803 8.924 -8.875 1.00 22.32 C ATOM 110 CD1 LEU A 9 14.720 7.708 -9.785 1.00 22.42 C ATOM 111 CD2 LEU A 9 14.801 8.501 -7.413 1.00 72.51 C ATOM 0 H LEU A 9 14.302 11.351 -8.208 1.00 3.31 H new ATOM 0 HA LEU A 9 16.762 11.694 -9.772 1.00 32.12 H new ATOM 0 HB2 LEU A 9 16.619 9.229 -9.964 1.00 0.41 H new ATOM 0 HB3 LEU A 9 16.678 9.781 -8.302 1.00 0.41 H new ATOM 0 HG LEU A 9 13.925 9.545 -9.053 1.00 22.32 H new ATOM 0 HD11 LEU A 9 13.826 7.133 -9.544 1.00 22.42 H new ATOM 0 HD12 LEU A 9 14.673 8.034 -10.824 1.00 22.42 H new ATOM 0 HD13 LEU A 9 15.602 7.084 -9.640 1.00 22.42 H new ATOM 0 HD21 LEU A 9 13.906 7.915 -7.205 1.00 72.51 H new ATOM 0 HD22 LEU A 9 15.685 7.898 -7.208 1.00 72.51 H new ATOM 0 HD23 LEU A 9 14.810 9.387 -6.778 1.00 72.51 H new ATOM 123 N VAL A 10 14.084 12.020 -11.153 1.00 4.13 N ATOM 124 CA VAL A 10 13.332 12.114 -12.397 1.00 4.54 C ATOM 125 C VAL A 10 14.260 12.336 -13.586 1.00 15.03 C ATOM 126 O VAL A 10 13.954 11.935 -14.710 1.00 21.34 O ATOM 127 CB VAL A 10 12.301 13.257 -12.346 1.00 3.21 C ATOM 128 CG1 VAL A 10 12.997 14.608 -12.417 1.00 12.22 C ATOM 129 CG2 VAL A 10 11.286 13.110 -13.469 1.00 54.21 C ATOM 0 H VAL A 10 13.761 12.648 -10.417 1.00 4.13 H new ATOM 0 HA VAL A 10 12.808 11.166 -12.520 1.00 4.54 H new ATOM 0 HB VAL A 10 11.768 13.200 -11.397 1.00 3.21 H new ATOM 0 HG11 VAL A 10 12.252 15.403 -12.380 1.00 12.22 H new ATOM 0 HG12 VAL A 10 13.680 14.710 -11.574 1.00 12.22 H new ATOM 0 HG13 VAL A 10 13.558 14.680 -13.349 1.00 12.22 H new ATOM 0 HG21 VAL A 10 10.565 13.926 -13.417 1.00 54.21 H new ATOM 0 HG22 VAL A 10 11.800 13.140 -14.430 1.00 54.21 H new ATOM 0 HG23 VAL A 10 10.764 12.158 -13.366 1.00 54.21 H new ATOM 139 N SER A 11 15.397 12.974 -13.330 1.00 61.22 N ATOM 140 CA SER A 11 16.370 13.252 -14.380 1.00 71.23 C ATOM 141 C SER A 11 17.096 11.978 -14.800 1.00 3.24 C ATOM 142 O SER A 11 17.296 11.726 -15.989 1.00 2.22 O ATOM 143 CB SER A 11 17.382 14.295 -13.903 1.00 65.24 C ATOM 144 OG SER A 11 17.445 14.336 -12.488 1.00 0.12 O ATOM 0 H SER A 11 15.667 13.308 -12.405 1.00 61.22 H new ATOM 0 HA SER A 11 15.833 13.645 -15.244 1.00 71.23 H new ATOM 0 HB2 SER A 11 18.367 14.062 -14.307 1.00 65.24 H new ATOM 0 HB3 SER A 11 17.105 15.277 -14.286 1.00 65.24 H new ATOM 0 HG SER A 11 18.100 15.009 -12.209 1.00 0.12 H new ATOM 150 N LEU A 12 17.488 11.177 -13.816 1.00 33.13 N ATOM 151 CA LEU A 12 18.192 9.926 -14.080 1.00 42.14 C ATOM 152 C LEU A 12 17.259 8.731 -13.918 1.00 23.24 C ATOM 153 O LEU A 12 17.695 7.636 -13.562 1.00 41.32 O ATOM 154 CB LEU A 12 19.391 9.784 -13.141 1.00 41.40 C ATOM 155 CG LEU A 12 20.694 9.310 -13.785 1.00 60.40 C ATOM 156 CD1 LEU A 12 20.485 7.982 -14.496 1.00 75.43 C ATOM 157 CD2 LEU A 12 21.225 10.358 -14.751 1.00 42.42 C ATOM 0 H LEU A 12 17.330 11.371 -12.827 1.00 33.13 H new ATOM 0 HA LEU A 12 18.547 9.948 -15.110 1.00 42.14 H new ATOM 0 HB2 LEU A 12 19.573 10.749 -12.668 1.00 41.40 H new ATOM 0 HB3 LEU A 12 19.125 9.085 -12.348 1.00 41.40 H new ATOM 0 HG LEU A 12 21.434 9.165 -12.998 1.00 60.40 H new ATOM 0 HD11 LEU A 12 21.423 7.660 -14.948 1.00 75.43 H new ATOM 0 HD12 LEU A 12 20.153 7.233 -13.777 1.00 75.43 H new ATOM 0 HD13 LEU A 12 19.729 8.100 -15.273 1.00 75.43 H new ATOM 0 HD21 LEU A 12 22.153 10.003 -15.199 1.00 42.42 H new ATOM 0 HD22 LEU A 12 20.489 10.537 -15.534 1.00 42.42 H new ATOM 0 HD23 LEU A 12 21.415 11.286 -14.212 1.00 42.42 H new ATOM 169 N GLN A 13 15.974 8.949 -14.180 1.00 31.22 N ATOM 170 CA GLN A 13 14.980 7.889 -14.063 1.00 43.22 C ATOM 171 C GLN A 13 15.127 6.877 -15.195 1.00 63.03 C ATOM 172 O GLN A 13 14.777 5.708 -15.045 1.00 22.22 O ATOM 173 CB GLN A 13 13.570 8.480 -14.071 1.00 2.34 C ATOM 174 CG GLN A 13 12.907 8.494 -12.703 1.00 52.22 C ATOM 175 CD GLN A 13 11.501 9.060 -12.741 1.00 41.23 C ATOM 176 OE1 GLN A 13 10.905 9.200 -13.809 1.00 0.11 O ATOM 177 NE2 GLN A 13 10.964 9.389 -11.572 1.00 51.25 N ATOM 0 H GLN A 13 15.597 9.850 -14.475 1.00 31.22 H new ATOM 0 HA GLN A 13 15.145 7.374 -13.117 1.00 43.22 H new ATOM 0 HB2 GLN A 13 13.615 9.500 -14.454 1.00 2.34 H new ATOM 0 HB3 GLN A 13 12.949 7.908 -14.760 1.00 2.34 H new ATOM 0 HG2 GLN A 13 12.875 7.478 -12.309 1.00 52.22 H new ATOM 0 HG3 GLN A 13 13.513 9.084 -12.016 1.00 52.22 H new ATOM 0 HE21 GLN A 13 11.495 9.256 -10.711 1.00 51.25 H new ATOM 0 HE22 GLN A 13 10.021 9.775 -11.535 1.00 51.25 H new ATOM 186 N ASN A 14 15.648 7.337 -16.329 1.00 21.35 N ATOM 187 CA ASN A 14 15.841 6.472 -17.486 1.00 51.30 C ATOM 188 C ASN A 14 16.461 7.246 -18.646 1.00 72.31 C ATOM 189 O ASN A 14 15.878 7.342 -19.726 1.00 73.21 O ATOM 190 CB ASN A 14 14.506 5.863 -17.921 1.00 53.45 C ATOM 191 CG ASN A 14 13.383 6.882 -17.938 1.00 72.32 C ATOM 192 OD1 ASN A 14 13.492 7.931 -18.573 1.00 43.01 O ATOM 193 ND2 ASN A 14 12.297 6.577 -17.238 1.00 25.22 N ATOM 0 H ASN A 14 15.943 8.303 -16.470 1.00 21.35 H new ATOM 0 HA ASN A 14 16.523 5.671 -17.201 1.00 51.30 H new ATOM 0 HB2 ASN A 14 14.614 5.430 -18.915 1.00 53.45 H new ATOM 0 HB3 ASN A 14 14.244 5.049 -17.245 1.00 53.45 H new ATOM 0 HD21 ASN A 14 11.509 7.224 -17.212 1.00 25.22 H new ATOM 0 HD22 ASN A 14 12.251 5.696 -16.727 1.00 25.22 H new ATOM 200 N LEU A 15 17.649 7.796 -18.414 1.00 14.23 N ATOM 201 CA LEU A 15 18.351 8.560 -19.439 1.00 25.12 C ATOM 202 C LEU A 15 19.857 8.539 -19.198 1.00 53.25 C ATOM 203 O LEU A 15 20.375 9.288 -18.370 1.00 25.42 O ATOM 204 CB LEU A 15 17.847 10.004 -19.460 1.00 51.21 C ATOM 205 CG LEU A 15 16.380 10.197 -19.845 1.00 42.53 C ATOM 206 CD1 LEU A 15 15.961 11.646 -19.644 1.00 13.23 C ATOM 207 CD2 LEU A 15 16.146 9.769 -21.287 1.00 72.42 C ATOM 0 H LEU A 15 18.145 7.727 -17.526 1.00 14.23 H new ATOM 0 HA LEU A 15 18.150 8.097 -20.405 1.00 25.12 H new ATOM 0 HB2 LEU A 15 18.002 10.436 -18.472 1.00 51.21 H new ATOM 0 HB3 LEU A 15 18.463 10.573 -20.157 1.00 51.21 H new ATOM 0 HG LEU A 15 15.769 9.569 -19.196 1.00 42.53 H new ATOM 0 HD11 LEU A 15 14.914 11.764 -19.923 1.00 13.23 H new ATOM 0 HD12 LEU A 15 16.091 11.920 -18.597 1.00 13.23 H new ATOM 0 HD13 LEU A 15 16.578 12.293 -20.268 1.00 13.23 H new ATOM 0 HD21 LEU A 15 15.097 9.913 -21.544 1.00 72.42 H new ATOM 0 HD22 LEU A 15 16.768 10.370 -21.950 1.00 72.42 H new ATOM 0 HD23 LEU A 15 16.406 8.717 -21.401 1.00 72.42 H new ATOM 219 N LEU A 16 20.555 7.677 -19.929 1.00 60.43 N ATOM 220 CA LEU A 16 22.004 7.559 -19.798 1.00 3.04 C ATOM 221 C LEU A 16 22.692 7.793 -21.138 1.00 73.31 C ATOM 222 O LEU A 16 23.451 6.948 -21.614 1.00 21.41 O ATOM 223 CB LEU A 16 22.376 6.179 -19.254 1.00 3.23 C ATOM 224 CG LEU A 16 23.841 5.981 -18.868 1.00 64.34 C ATOM 225 CD1 LEU A 16 24.044 6.250 -17.385 1.00 11.34 C ATOM 226 CD2 LEU A 16 24.303 4.576 -19.227 1.00 64.21 C ATOM 0 H LEU A 16 20.142 7.049 -20.619 1.00 60.43 H new ATOM 0 HA LEU A 16 22.344 8.322 -19.098 1.00 3.04 H new ATOM 0 HB2 LEU A 16 21.760 5.978 -18.377 1.00 3.23 H new ATOM 0 HB3 LEU A 16 22.115 5.433 -20.004 1.00 3.23 H new ATOM 0 HG LEU A 16 24.444 6.694 -19.430 1.00 64.34 H new ATOM 0 HD11 LEU A 16 25.093 6.104 -17.129 1.00 11.34 H new ATOM 0 HD12 LEU A 16 23.755 7.276 -17.158 1.00 11.34 H new ATOM 0 HD13 LEU A 16 23.430 5.563 -16.803 1.00 11.34 H new ATOM 0 HD21 LEU A 16 25.349 4.454 -18.945 1.00 64.21 H new ATOM 0 HD22 LEU A 16 23.695 3.846 -18.693 1.00 64.21 H new ATOM 0 HD23 LEU A 16 24.197 4.421 -20.301 1.00 64.21 H new ATOM 238 N VAL A 17 22.426 8.947 -21.742 1.00 73.30 N ATOM 239 CA VAL A 17 23.023 9.293 -23.026 1.00 62.25 C ATOM 240 C VAL A 17 23.924 10.518 -22.901 1.00 5.23 C ATOM 241 O VAL A 17 24.168 11.012 -21.799 1.00 53.51 O ATOM 242 CB VAL A 17 21.944 9.571 -24.090 1.00 31.44 C ATOM 243 CG1 VAL A 17 21.010 8.378 -24.225 1.00 61.11 C ATOM 244 CG2 VAL A 17 21.167 10.832 -23.744 1.00 14.30 C ATOM 0 H VAL A 17 21.801 9.658 -21.362 1.00 73.30 H new ATOM 0 HA VAL A 17 23.620 8.436 -23.339 1.00 62.25 H new ATOM 0 HB VAL A 17 22.435 9.728 -25.050 1.00 31.44 H new ATOM 0 HG11 VAL A 17 20.254 8.591 -24.981 1.00 61.11 H new ATOM 0 HG12 VAL A 17 21.583 7.499 -24.523 1.00 61.11 H new ATOM 0 HG13 VAL A 17 20.523 8.187 -23.269 1.00 61.11 H new ATOM 0 HG21 VAL A 17 20.409 11.013 -24.506 1.00 14.30 H new ATOM 0 HG22 VAL A 17 20.684 10.707 -22.775 1.00 14.30 H new ATOM 0 HG23 VAL A 17 21.850 11.680 -23.703 1.00 14.30 H new ATOM 254 N TYR A 18 24.414 11.002 -24.035 1.00 64.04 N ATOM 255 CA TYR A 18 25.290 12.168 -24.053 1.00 61.14 C ATOM 256 C TYR A 18 24.566 13.385 -24.620 1.00 52.44 C ATOM 257 O TYR A 18 24.544 13.600 -25.833 1.00 11.11 O ATOM 258 CB TYR A 18 26.545 11.878 -24.877 1.00 73.24 C ATOM 259 CG TYR A 18 27.768 11.588 -24.037 1.00 31.45 C ATOM 260 CD1 TYR A 18 28.292 12.550 -23.182 1.00 13.13 C ATOM 261 CD2 TYR A 18 28.399 10.351 -24.096 1.00 43.11 C ATOM 262 CE1 TYR A 18 29.409 12.289 -22.413 1.00 20.13 C ATOM 263 CE2 TYR A 18 29.516 10.081 -23.329 1.00 41.52 C ATOM 264 CZ TYR A 18 30.017 11.054 -22.490 1.00 23.42 C ATOM 265 OH TYR A 18 31.130 10.790 -21.724 1.00 24.30 O ATOM 0 H TYR A 18 24.220 10.606 -24.955 1.00 64.04 H new ATOM 0 HA TYR A 18 25.581 12.387 -23.026 1.00 61.14 H new ATOM 0 HB2 TYR A 18 26.352 11.026 -25.529 1.00 73.24 H new ATOM 0 HB3 TYR A 18 26.752 12.732 -25.521 1.00 73.24 H new ATOM 0 HD1 TYR A 18 27.818 13.518 -23.118 1.00 13.13 H new ATOM 0 HD2 TYR A 18 28.009 9.587 -24.753 1.00 43.11 H new ATOM 0 HE1 TYR A 18 29.804 13.048 -21.755 1.00 20.13 H new ATOM 0 HE2 TYR A 18 29.994 9.114 -23.386 1.00 41.52 H new ATOM 0 HH TYR A 18 31.435 9.875 -21.895 1.00 24.30 H new ATOM 275 N VAL A 19 23.974 14.180 -23.736 1.00 2.45 N ATOM 276 CA VAL A 19 23.249 15.377 -24.146 1.00 50.03 C ATOM 277 C VAL A 19 22.711 16.136 -22.938 1.00 53.14 C ATOM 278 O VAL A 19 22.634 17.363 -22.947 1.00 43.34 O ATOM 279 CB VAL A 19 22.078 15.030 -25.085 1.00 30.34 C ATOM 280 CG1 VAL A 19 21.132 14.045 -24.414 1.00 53.53 C ATOM 281 CG2 VAL A 19 21.339 16.292 -25.502 1.00 50.50 C ATOM 0 H VAL A 19 23.982 14.017 -22.729 1.00 2.45 H new ATOM 0 HA VAL A 19 23.958 16.009 -24.680 1.00 50.03 H new ATOM 0 HB VAL A 19 22.480 14.559 -25.982 1.00 30.34 H new ATOM 0 HG11 VAL A 19 20.311 13.811 -25.091 1.00 53.53 H new ATOM 0 HG12 VAL A 19 21.672 13.131 -24.169 1.00 53.53 H new ATOM 0 HG13 VAL A 19 20.734 14.487 -23.500 1.00 53.53 H new ATOM 0 HG21 VAL A 19 20.515 16.029 -26.165 1.00 50.50 H new ATOM 0 HG22 VAL A 19 20.947 16.793 -24.617 1.00 50.50 H new ATOM 0 HG23 VAL A 19 22.025 16.960 -26.023 1.00 50.50 H new ATOM 291 N ASN A 20 22.340 15.395 -21.899 1.00 45.52 N ATOM 292 CA ASN A 20 21.808 15.998 -20.682 1.00 34.51 C ATOM 293 C ASN A 20 20.476 16.690 -20.955 1.00 12.34 C ATOM 294 O ASN A 20 20.237 17.803 -20.487 1.00 44.51 O ATOM 295 CB ASN A 20 22.809 17.002 -20.107 1.00 23.21 C ATOM 296 CG ASN A 20 22.596 17.246 -18.624 1.00 45.53 C ATOM 297 OD1 ASN A 20 21.523 16.973 -18.087 1.00 11.45 O ATOM 298 ND2 ASN A 20 23.621 17.764 -17.957 1.00 52.31 N ATOM 0 H ASN A 20 22.398 14.377 -21.875 1.00 45.52 H new ATOM 0 HA ASN A 20 21.641 15.203 -19.955 1.00 34.51 H new ATOM 0 HB2 ASN A 20 23.822 16.635 -20.270 1.00 23.21 H new ATOM 0 HB3 ASN A 20 22.722 17.946 -20.644 1.00 23.21 H new ATOM 0 HD21 ASN A 20 23.537 17.951 -16.958 1.00 52.31 H new ATOM 0 HD22 ASN A 20 24.492 17.975 -18.444 1.00 52.31 H new ATOM 305 N TRP A 21 19.614 16.022 -21.713 1.00 42.31 N ATOM 306 CA TRP A 21 18.306 16.573 -22.048 1.00 1.44 C ATOM 307 C TRP A 21 17.465 15.554 -22.810 1.00 0.10 C ATOM 308 O TRP A 21 16.585 14.910 -22.238 1.00 73.33 O ATOM 309 CB TRP A 21 18.463 17.847 -22.879 1.00 51.44 C ATOM 310 CG TRP A 21 17.179 18.316 -23.496 1.00 41.01 C ATOM 311 CD1 TRP A 21 15.988 18.511 -22.858 1.00 43.41 C ATOM 312 CD2 TRP A 21 16.960 18.646 -24.871 1.00 73.01 C ATOM 313 NE1 TRP A 21 15.040 18.943 -23.755 1.00 43.12 N ATOM 314 CE2 TRP A 21 15.612 19.035 -24.997 1.00 20.24 C ATOM 315 CE3 TRP A 21 17.771 18.653 -26.009 1.00 23.41 C ATOM 316 CZ2 TRP A 21 15.060 19.425 -26.214 1.00 71.22 C ATOM 317 CZ3 TRP A 21 17.222 19.040 -27.216 1.00 71.02 C ATOM 318 CH2 TRP A 21 15.877 19.422 -27.312 1.00 31.35 C ATOM 0 H TRP A 21 19.797 15.099 -22.107 1.00 42.31 H new ATOM 0 HA TRP A 21 17.793 16.816 -21.117 1.00 1.44 H new ATOM 0 HB2 TRP A 21 18.864 18.638 -22.246 1.00 51.44 H new ATOM 0 HB3 TRP A 21 19.194 17.670 -23.668 1.00 51.44 H new ATOM 0 HD1 TRP A 21 15.816 18.350 -21.804 1.00 43.41 H new ATOM 0 HE1 TRP A 21 14.069 19.160 -23.532 1.00 43.12 H new ATOM 0 HE3 TRP A 21 18.809 18.361 -25.946 1.00 23.41 H new ATOM 0 HZ2 TRP A 21 14.024 19.720 -26.289 1.00 71.22 H new ATOM 0 HZ3 TRP A 21 17.840 19.048 -28.102 1.00 71.02 H new ATOM 0 HH2 TRP A 21 15.478 19.720 -28.270 1.00 31.35 H new ATOM 329 N SER A 22 17.742 15.413 -24.102 1.00 71.21 N ATOM 330 CA SER A 22 17.008 14.474 -24.943 1.00 51.02 C ATOM 331 C SER A 22 15.509 14.557 -24.670 1.00 72.33 C ATOM 332 O SER A 22 14.812 13.543 -24.665 1.00 4.12 O ATOM 333 CB SER A 22 17.504 13.046 -24.703 1.00 44.24 C ATOM 334 OG SER A 22 18.684 12.785 -25.444 1.00 44.31 O ATOM 0 H SER A 22 18.469 15.937 -24.589 1.00 71.21 H new ATOM 0 HA SER A 22 17.185 14.742 -25.985 1.00 51.02 H new ATOM 0 HB2 SER A 22 17.698 12.899 -23.641 1.00 44.24 H new ATOM 0 HB3 SER A 22 16.728 12.335 -24.987 1.00 44.24 H new ATOM 0 HG SER A 22 18.723 11.833 -25.673 1.00 44.31 H new ATOM 340 N SER A 23 15.022 15.773 -24.442 1.00 74.34 N ATOM 341 CA SER A 23 13.607 15.989 -24.164 1.00 43.11 C ATOM 342 C SER A 23 13.215 15.365 -22.829 1.00 5.44 C ATOM 343 O SER A 23 13.419 14.171 -22.605 1.00 23.22 O ATOM 344 CB SER A 23 12.750 15.402 -25.286 1.00 52.44 C ATOM 345 OG SER A 23 13.303 15.695 -26.558 1.00 3.32 O ATOM 0 H SER A 23 15.586 16.623 -24.444 1.00 74.34 H new ATOM 0 HA SER A 23 13.433 17.063 -24.108 1.00 43.11 H new ATOM 0 HB2 SER A 23 12.671 14.322 -25.160 1.00 52.44 H new ATOM 0 HB3 SER A 23 11.739 15.805 -25.224 1.00 52.44 H new ATOM 0 HG SER A 23 12.737 15.307 -27.258 1.00 3.32 H new ATOM 351 N TYR A 24 12.649 16.180 -21.945 1.00 55.42 N ATOM 352 CA TYR A 24 12.230 15.709 -20.630 1.00 45.32 C ATOM 353 C TYR A 24 11.371 14.454 -20.750 1.00 62.12 C ATOM 354 O TYR A 24 10.669 14.243 -21.738 1.00 14.50 O ATOM 355 CB TYR A 24 11.452 16.805 -19.898 1.00 52.23 C ATOM 356 CG TYR A 24 12.334 17.753 -19.115 1.00 12.41 C ATOM 357 CD1 TYR A 24 13.587 18.118 -19.591 1.00 63.32 C ATOM 358 CD2 TYR A 24 11.913 18.280 -17.901 1.00 5.21 C ATOM 359 CE1 TYR A 24 14.396 18.984 -18.878 1.00 10.53 C ATOM 360 CE2 TYR A 24 12.714 19.147 -17.183 1.00 40.21 C ATOM 361 CZ TYR A 24 13.955 19.495 -17.675 1.00 51.24 C ATOM 362 OH TYR A 24 14.757 20.357 -16.963 1.00 3.25 O ATOM 0 H TYR A 24 12.470 17.170 -22.115 1.00 55.42 H new ATOM 0 HA TYR A 24 13.124 15.462 -20.057 1.00 45.32 H new ATOM 0 HB2 TYR A 24 10.874 17.376 -20.625 1.00 52.23 H new ATOM 0 HB3 TYR A 24 10.738 16.340 -19.218 1.00 52.23 H new ATOM 0 HD1 TYR A 24 13.935 17.719 -20.533 1.00 63.32 H new ATOM 0 HD2 TYR A 24 10.943 18.008 -17.512 1.00 5.21 H new ATOM 0 HE1 TYR A 24 15.368 19.259 -19.261 1.00 10.53 H new ATOM 0 HE2 TYR A 24 12.371 19.550 -16.242 1.00 40.21 H new ATOM 0 HH TYR A 24 14.298 20.626 -16.140 1.00 3.25 H new ATOM 372 N PRO A 25 11.426 13.601 -19.716 1.00 74.34 N ATOM 373 CA PRO A 25 10.660 12.352 -19.679 1.00 50.21 C ATOM 374 C PRO A 25 9.163 12.595 -19.525 1.00 11.03 C ATOM 375 O PRO A 25 8.738 13.423 -18.719 1.00 4.43 O ATOM 376 CB PRO A 25 11.216 11.631 -18.449 1.00 1.32 C ATOM 377 CG PRO A 25 11.738 12.719 -17.575 1.00 41.55 C ATOM 378 CD PRO A 25 12.242 13.789 -18.505 1.00 53.20 C ATOM 0 HA PRO A 25 10.761 11.784 -20.604 1.00 50.21 H new ATOM 0 HB2 PRO A 25 10.441 11.055 -17.944 1.00 1.32 H new ATOM 0 HB3 PRO A 25 12.005 10.931 -18.724 1.00 1.32 H new ATOM 0 HG2 PRO A 25 10.955 13.106 -16.923 1.00 41.55 H new ATOM 0 HG3 PRO A 25 12.538 12.353 -16.931 1.00 41.55 H new ATOM 0 HD2 PRO A 25 12.109 14.785 -18.082 1.00 53.20 H new ATOM 0 HD3 PRO A 25 13.305 13.671 -18.715 1.00 53.20 H new ATOM 386 N LYS A 26 8.366 11.867 -20.300 1.00 65.24 N ATOM 387 CA LYS A 26 6.916 12.002 -20.249 1.00 4.53 C ATOM 388 C LYS A 26 6.329 11.153 -19.124 1.00 73.15 C ATOM 389 O LYS A 26 6.947 10.187 -18.677 1.00 73.24 O ATOM 390 CB LYS A 26 6.296 11.593 -21.587 1.00 62.24 C ATOM 391 CG LYS A 26 5.349 10.410 -21.483 1.00 71.44 C ATOM 392 CD LYS A 26 4.874 9.955 -22.852 1.00 11.14 C ATOM 393 CE LYS A 26 3.714 8.976 -22.743 1.00 23.32 C ATOM 394 NZ LYS A 26 4.172 7.616 -22.349 1.00 31.52 N ATOM 0 H LYS A 26 8.701 11.176 -20.972 1.00 65.24 H new ATOM 0 HA LYS A 26 6.681 13.048 -20.052 1.00 4.53 H new ATOM 0 HB2 LYS A 26 5.756 12.444 -22.003 1.00 62.24 H new ATOM 0 HB3 LYS A 26 7.094 11.348 -22.288 1.00 62.24 H new ATOM 0 HG2 LYS A 26 5.851 9.585 -20.978 1.00 71.44 H new ATOM 0 HG3 LYS A 26 4.490 10.683 -20.871 1.00 71.44 H new ATOM 0 HD2 LYS A 26 4.567 10.821 -23.438 1.00 11.14 H new ATOM 0 HD3 LYS A 26 5.699 9.485 -23.387 1.00 11.14 H new ATOM 0 HE2 LYS A 26 2.996 9.344 -22.010 1.00 23.32 H new ATOM 0 HE3 LYS A 26 3.194 8.921 -23.699 1.00 23.32 H new ATOM 0 HZ1 LYS A 26 3.353 6.979 -22.286 1.00 31.52 H new ATOM 0 HZ2 LYS A 26 4.838 7.254 -23.061 1.00 31.52 H new ATOM 0 HZ3 LYS A 26 4.646 7.664 -21.425 1.00 31.52 H new ATOM 408 N TYR A 27 5.135 11.519 -18.674 1.00 22.21 N ATOM 409 CA TYR A 27 4.467 10.791 -17.603 1.00 24.43 C ATOM 410 C TYR A 27 4.488 9.289 -17.868 1.00 73.43 C ATOM 411 O TYR A 27 3.974 8.820 -18.883 1.00 74.41 O ATOM 412 CB TYR A 27 3.023 11.273 -17.452 1.00 53.13 C ATOM 413 CG TYR A 27 2.023 10.150 -17.297 1.00 50.22 C ATOM 414 CD1 TYR A 27 1.944 9.422 -16.117 1.00 0.20 C ATOM 415 CD2 TYR A 27 1.155 9.819 -18.330 1.00 15.54 C ATOM 416 CE1 TYR A 27 1.032 8.394 -15.971 1.00 23.30 C ATOM 417 CE2 TYR A 27 0.239 8.794 -18.193 1.00 1.12 C ATOM 418 CZ TYR A 27 0.181 8.084 -17.011 1.00 74.43 C ATOM 419 OH TYR A 27 -0.729 7.063 -16.869 1.00 3.03 O ATOM 0 H TYR A 27 4.610 12.316 -19.034 1.00 22.21 H new ATOM 0 HA TYR A 27 5.007 10.986 -16.676 1.00 24.43 H new ATOM 0 HB2 TYR A 27 2.957 11.929 -16.584 1.00 53.13 H new ATOM 0 HB3 TYR A 27 2.755 11.869 -18.324 1.00 53.13 H new ATOM 0 HD1 TYR A 27 2.607 9.663 -15.299 1.00 0.20 H new ATOM 0 HD2 TYR A 27 1.197 10.373 -19.256 1.00 15.54 H new ATOM 0 HE1 TYR A 27 0.986 7.836 -15.047 1.00 23.30 H new ATOM 0 HE2 TYR A 27 -0.428 8.550 -19.006 1.00 1.12 H new ATOM 0 HH TYR A 27 -1.253 6.975 -17.693 1.00 3.03 H new ATOM 429 N GLU A 28 5.086 8.540 -16.947 1.00 13.13 N ATOM 430 CA GLU A 28 5.175 7.091 -17.082 1.00 22.03 C ATOM 431 C GLU A 28 4.486 6.392 -15.913 1.00 5.43 C ATOM 432 O GLU A 28 4.977 6.384 -14.785 1.00 33.53 O ATOM 433 CB GLU A 28 6.639 6.652 -17.159 1.00 50.02 C ATOM 434 CG GLU A 28 6.907 5.611 -18.233 1.00 1.53 C ATOM 435 CD GLU A 28 7.828 4.505 -17.757 1.00 1.51 C ATOM 436 OE1 GLU A 28 8.806 4.812 -17.045 1.00 53.05 O ATOM 437 OE2 GLU A 28 7.568 3.331 -18.096 1.00 23.15 O ATOM 0 H GLU A 28 5.516 8.912 -16.100 1.00 13.13 H new ATOM 0 HA GLU A 28 4.668 6.807 -18.004 1.00 22.03 H new ATOM 0 HB2 GLU A 28 7.262 7.526 -17.349 1.00 50.02 H new ATOM 0 HB3 GLU A 28 6.940 6.250 -16.192 1.00 50.02 H new ATOM 0 HG2 GLU A 28 5.961 5.177 -18.557 1.00 1.53 H new ATOM 0 HG3 GLU A 28 7.349 6.097 -19.103 1.00 1.53 H new ATOM 444 N PRO A 29 3.317 5.793 -16.188 1.00 64.51 N ATOM 445 CA PRO A 29 2.534 5.082 -15.173 1.00 75.44 C ATOM 446 C PRO A 29 3.205 3.787 -14.726 1.00 1.31 C ATOM 447 O PRO A 29 3.582 2.956 -15.550 1.00 55.25 O ATOM 448 CB PRO A 29 1.216 4.780 -15.890 1.00 44.34 C ATOM 449 CG PRO A 29 1.567 4.758 -17.337 1.00 60.04 C ATOM 450 CD PRO A 29 2.671 5.764 -17.511 1.00 31.30 C ATOM 0 HA PRO A 29 2.416 5.670 -14.263 1.00 75.44 H new ATOM 0 HB2 PRO A 29 0.801 3.825 -15.569 1.00 44.34 H new ATOM 0 HB3 PRO A 29 0.466 5.541 -15.676 1.00 44.34 H new ATOM 0 HG2 PRO A 29 1.893 3.764 -17.644 1.00 60.04 H new ATOM 0 HG3 PRO A 29 0.704 5.015 -17.952 1.00 60.04 H new ATOM 0 HD2 PRO A 29 3.369 5.464 -18.293 1.00 31.30 H new ATOM 0 HD3 PRO A 29 2.282 6.743 -17.790 1.00 31.30 H new ATOM 458 N GLY A 30 3.350 3.623 -13.415 1.00 43.51 N ATOM 459 CA GLY A 30 3.975 2.427 -12.882 1.00 62.22 C ATOM 460 C GLY A 30 5.388 2.680 -12.394 1.00 13.33 C ATOM 461 O GLY A 30 6.195 1.755 -12.300 1.00 12.52 O ATOM 0 H GLY A 30 3.046 4.297 -12.712 1.00 43.51 H new ATOM 0 HA2 GLY A 30 3.373 2.042 -12.059 1.00 62.22 H new ATOM 0 HA3 GLY A 30 3.992 1.656 -13.652 1.00 62.22 H new ATOM 465 N LYS A 31 5.690 3.935 -12.084 1.00 44.41 N ATOM 466 CA LYS A 31 7.015 4.309 -11.604 1.00 33.25 C ATOM 467 C LYS A 31 6.918 5.346 -10.489 1.00 41.44 C ATOM 468 O LYS A 31 6.429 6.455 -10.704 1.00 23.30 O ATOM 469 CB LYS A 31 7.861 4.858 -12.755 1.00 30.02 C ATOM 470 CG LYS A 31 9.078 5.641 -12.294 1.00 55.01 C ATOM 471 CD LYS A 31 10.268 5.410 -13.211 1.00 42.23 C ATOM 472 CE LYS A 31 11.471 4.886 -12.442 1.00 34.23 C ATOM 473 NZ LYS A 31 11.439 3.403 -12.306 1.00 5.22 N ATOM 0 H LYS A 31 5.034 4.713 -12.157 1.00 44.41 H new ATOM 0 HA LYS A 31 7.494 3.416 -11.203 1.00 33.25 H new ATOM 0 HB2 LYS A 31 8.189 4.029 -13.382 1.00 30.02 H new ATOM 0 HB3 LYS A 31 7.239 5.502 -13.377 1.00 30.02 H new ATOM 0 HG2 LYS A 31 8.839 6.704 -12.267 1.00 55.01 H new ATOM 0 HG3 LYS A 31 9.338 5.346 -11.277 1.00 55.01 H new ATOM 0 HD2 LYS A 31 9.995 4.699 -13.991 1.00 42.23 H new ATOM 0 HD3 LYS A 31 10.531 6.343 -13.709 1.00 42.23 H new ATOM 0 HE2 LYS A 31 12.387 5.184 -12.953 1.00 34.23 H new ATOM 0 HE3 LYS A 31 11.496 5.341 -11.452 1.00 34.23 H new ATOM 0 HZ1 LYS A 31 12.275 3.085 -11.776 1.00 5.22 H new ATOM 0 HZ2 LYS A 31 10.578 3.120 -11.796 1.00 5.22 H new ATOM 0 HZ3 LYS A 31 11.441 2.968 -13.250 1.00 5.22 H new ATOM 487 N GLU A 32 7.387 4.978 -9.302 1.00 21.44 N ATOM 488 CA GLU A 32 7.354 5.879 -8.155 1.00 11.44 C ATOM 489 C GLU A 32 7.878 7.260 -8.533 1.00 44.34 C ATOM 490 O GLU A 32 8.866 7.384 -9.257 1.00 70.03 O ATOM 491 CB GLU A 32 8.180 5.304 -7.003 1.00 2.54 C ATOM 492 CG GLU A 32 7.360 4.994 -5.762 1.00 33.11 C ATOM 493 CD GLU A 32 6.465 6.146 -5.350 1.00 74.21 C ATOM 494 OE1 GLU A 32 6.894 7.310 -5.489 1.00 51.33 O ATOM 495 OE2 GLU A 32 5.334 5.883 -4.889 1.00 65.41 O ATOM 0 H GLU A 32 7.794 4.063 -9.108 1.00 21.44 H new ATOM 0 HA GLU A 32 6.317 5.979 -7.834 1.00 11.44 H new ATOM 0 HB2 GLU A 32 8.673 4.392 -7.340 1.00 2.54 H new ATOM 0 HB3 GLU A 32 8.966 6.013 -6.741 1.00 2.54 H new ATOM 0 HG2 GLU A 32 6.748 4.112 -5.947 1.00 33.11 H new ATOM 0 HG3 GLU A 32 8.032 4.749 -4.939 1.00 33.11 H new ATOM 502 N TYR A 33 7.210 8.297 -8.038 1.00 14.33 N ATOM 503 CA TYR A 33 7.606 9.670 -8.326 1.00 32.41 C ATOM 504 C TYR A 33 7.827 10.454 -7.036 1.00 24.20 C ATOM 505 O TYR A 33 6.876 10.797 -6.334 1.00 50.01 O ATOM 506 CB TYR A 33 6.544 10.361 -9.181 1.00 24.44 C ATOM 507 CG TYR A 33 6.507 9.873 -10.612 1.00 25.34 C ATOM 508 CD1 TYR A 33 7.544 10.158 -11.490 1.00 52.23 C ATOM 509 CD2 TYR A 33 5.434 9.126 -11.084 1.00 63.12 C ATOM 510 CE1 TYR A 33 7.514 9.716 -12.798 1.00 15.51 C ATOM 511 CE2 TYR A 33 5.396 8.679 -12.390 1.00 35.32 C ATOM 512 CZ TYR A 33 6.438 8.976 -13.243 1.00 52.31 C ATOM 513 OH TYR A 33 6.405 8.531 -14.545 1.00 42.44 O ATOM 0 H TYR A 33 6.392 8.212 -7.435 1.00 14.33 H new ATOM 0 HA TYR A 33 8.545 9.643 -8.879 1.00 32.41 H new ATOM 0 HB2 TYR A 33 5.566 10.204 -8.727 1.00 24.44 H new ATOM 0 HB3 TYR A 33 6.729 11.435 -9.177 1.00 24.44 H new ATOM 0 HD1 TYR A 33 8.389 10.735 -11.144 1.00 52.23 H new ATOM 0 HD2 TYR A 33 4.617 8.891 -10.418 1.00 63.12 H new ATOM 0 HE1 TYR A 33 8.328 9.948 -13.469 1.00 15.51 H new ATOM 0 HE2 TYR A 33 4.555 8.100 -12.741 1.00 35.32 H new ATOM 0 HH TYR A 33 6.179 7.578 -14.559 1.00 42.44 H new ATOM 523 N ASN A 34 9.090 10.736 -6.730 1.00 51.20 N ATOM 524 CA ASN A 34 9.437 11.480 -5.526 1.00 30.41 C ATOM 525 C ASN A 34 9.174 12.972 -5.712 1.00 54.31 C ATOM 526 O ASN A 34 8.969 13.439 -6.832 1.00 52.34 O ATOM 527 CB ASN A 34 10.906 11.251 -5.165 1.00 10.13 C ATOM 528 CG ASN A 34 11.356 9.830 -5.445 1.00 43.44 C ATOM 529 OD1 ASN A 34 11.516 9.435 -6.600 1.00 53.35 O ATOM 530 ND2 ASN A 34 11.560 9.054 -4.387 1.00 43.24 N ATOM 0 H ASN A 34 9.890 10.460 -7.300 1.00 51.20 H new ATOM 0 HA ASN A 34 8.809 11.117 -4.712 1.00 30.41 H new ATOM 0 HB2 ASN A 34 11.529 11.944 -5.731 1.00 10.13 H new ATOM 0 HB3 ASN A 34 11.057 11.476 -4.109 1.00 10.13 H new ATOM 0 HD21 ASN A 34 11.862 8.088 -4.514 1.00 43.24 H new ATOM 0 HD22 ASN A 34 11.415 9.424 -3.448 1.00 43.24 H new ATOM 537 N GLN A 35 9.183 13.711 -4.608 1.00 52.24 N ATOM 538 CA GLN A 35 8.945 15.149 -4.651 1.00 72.44 C ATOM 539 C GLN A 35 9.973 15.845 -5.538 1.00 73.23 C ATOM 540 O GLN A 35 11.166 15.550 -5.472 1.00 1.14 O ATOM 541 CB GLN A 35 8.991 15.737 -3.240 1.00 50.00 C ATOM 542 CG GLN A 35 10.401 15.916 -2.701 1.00 65.25 C ATOM 543 CD GLN A 35 10.491 15.665 -1.209 1.00 64.33 C ATOM 544 OE1 GLN A 35 11.408 14.994 -0.734 1.00 53.40 O ATOM 545 NE2 GLN A 35 9.538 16.206 -0.458 1.00 42.14 N ATOM 0 H GLN A 35 9.352 13.339 -3.674 1.00 52.24 H new ATOM 0 HA GLN A 35 7.955 15.315 -5.075 1.00 72.44 H new ATOM 0 HB2 GLN A 35 8.486 16.703 -3.241 1.00 50.00 H new ATOM 0 HB3 GLN A 35 8.433 15.087 -2.566 1.00 50.00 H new ATOM 0 HG2 GLN A 35 11.074 15.235 -3.222 1.00 65.25 H new ATOM 0 HG3 GLN A 35 10.743 16.928 -2.917 1.00 65.25 H new ATOM 0 HE21 GLN A 35 8.796 16.755 -0.893 1.00 42.14 H new ATOM 0 HE22 GLN A 35 9.548 16.072 0.553 1.00 42.14 H new ATOM 554 N GLY A 36 9.502 16.770 -6.370 1.00 14.14 N ATOM 555 CA GLY A 36 10.393 17.491 -7.258 1.00 63.53 C ATOM 556 C GLY A 36 10.427 16.900 -8.653 1.00 75.03 C ATOM 557 O GLY A 36 10.742 17.592 -9.621 1.00 34.32 O ATOM 0 H GLY A 36 8.519 17.032 -6.444 1.00 14.14 H new ATOM 0 HA2 GLY A 36 10.078 18.533 -7.316 1.00 63.53 H new ATOM 0 HA3 GLY A 36 11.400 17.485 -6.840 1.00 63.53 H new ATOM 561 N ASP A 37 10.103 15.615 -8.757 1.00 44.41 N ATOM 562 CA ASP A 37 10.097 14.930 -10.044 1.00 70.20 C ATOM 563 C ASP A 37 9.184 15.643 -11.036 1.00 72.14 C ATOM 564 O ASP A 37 8.066 16.030 -10.697 1.00 10.24 O ATOM 565 CB ASP A 37 9.647 13.478 -9.871 1.00 25.45 C ATOM 566 CG ASP A 37 10.712 12.616 -9.222 1.00 32.34 C ATOM 567 OD1 ASP A 37 11.175 12.973 -8.119 1.00 32.41 O ATOM 568 OD2 ASP A 37 11.082 11.582 -9.817 1.00 43.23 O ATOM 0 H ASP A 37 9.841 15.027 -7.965 1.00 44.41 H new ATOM 0 HA ASP A 37 11.113 14.943 -10.439 1.00 70.20 H new ATOM 0 HB2 ASP A 37 8.742 13.451 -9.264 1.00 25.45 H new ATOM 0 HB3 ASP A 37 9.390 13.062 -10.845 1.00 25.45 H new ATOM 573 N ILE A 38 9.670 15.814 -12.261 1.00 5.23 N ATOM 574 CA ILE A 38 8.897 16.481 -13.302 1.00 61.44 C ATOM 575 C ILE A 38 8.800 15.617 -14.554 1.00 13.14 C ATOM 576 O ILE A 38 9.789 15.030 -14.995 1.00 5.25 O ATOM 577 CB ILE A 38 9.515 17.841 -13.677 1.00 54.33 C ATOM 578 CG1 ILE A 38 9.561 18.760 -12.455 1.00 22.32 C ATOM 579 CG2 ILE A 38 8.724 18.490 -14.803 1.00 14.40 C ATOM 580 CD1 ILE A 38 10.927 19.359 -12.201 1.00 31.43 C ATOM 0 H ILE A 38 10.594 15.500 -12.557 1.00 5.23 H new ATOM 0 HA ILE A 38 7.898 16.644 -12.898 1.00 61.44 H new ATOM 0 HB ILE A 38 10.535 17.676 -14.023 1.00 54.33 H new ATOM 0 HG12 ILE A 38 8.839 19.566 -12.589 1.00 22.32 H new ATOM 0 HG13 ILE A 38 9.251 18.197 -11.575 1.00 22.32 H new ATOM 0 HG21 ILE A 38 9.173 19.450 -15.057 1.00 14.40 H new ATOM 0 HG22 ILE A 38 8.737 17.841 -15.678 1.00 14.40 H new ATOM 0 HG23 ILE A 38 7.694 18.645 -14.482 1.00 14.40 H new ATOM 0 HD11 ILE A 38 10.885 19.999 -11.320 1.00 31.43 H new ATOM 0 HD12 ILE A 38 11.650 18.560 -12.035 1.00 31.43 H new ATOM 0 HD13 ILE A 38 11.231 19.950 -13.065 1.00 31.43 H new ATOM 592 N VAL A 39 7.602 15.543 -15.124 1.00 3.54 N ATOM 593 CA VAL A 39 7.375 14.752 -16.327 1.00 51.43 C ATOM 594 C VAL A 39 6.467 15.489 -17.306 1.00 1.25 C ATOM 595 O VAL A 39 5.629 16.295 -16.903 1.00 61.34 O ATOM 596 CB VAL A 39 6.748 13.386 -15.992 1.00 72.12 C ATOM 597 CG1 VAL A 39 7.538 12.692 -14.892 1.00 54.44 C ATOM 598 CG2 VAL A 39 5.291 13.553 -15.589 1.00 4.10 C ATOM 0 H VAL A 39 6.773 16.022 -14.772 1.00 3.54 H new ATOM 0 HA VAL A 39 8.349 14.592 -16.788 1.00 51.43 H new ATOM 0 HB VAL A 39 6.785 12.760 -16.884 1.00 72.12 H new ATOM 0 HG11 VAL A 39 7.081 11.728 -14.668 1.00 54.44 H new ATOM 0 HG12 VAL A 39 8.565 12.538 -15.223 1.00 54.44 H new ATOM 0 HG13 VAL A 39 7.535 13.312 -13.995 1.00 54.44 H new ATOM 0 HG21 VAL A 39 4.864 12.578 -15.356 1.00 4.10 H new ATOM 0 HG22 VAL A 39 5.228 14.196 -14.711 1.00 4.10 H new ATOM 0 HG23 VAL A 39 4.736 14.005 -16.411 1.00 4.10 H new ATOM 608 N GLU A 40 6.639 15.204 -18.594 1.00 64.13 N ATOM 609 CA GLU A 40 5.834 15.841 -19.630 1.00 42.11 C ATOM 610 C GLU A 40 4.542 15.065 -19.868 1.00 61.24 C ATOM 611 O GLU A 40 4.551 13.838 -19.970 1.00 62.02 O ATOM 612 CB GLU A 40 6.629 15.942 -20.933 1.00 45.35 C ATOM 613 CG GLU A 40 5.819 16.485 -22.099 1.00 34.22 C ATOM 614 CD GLU A 40 5.417 15.403 -23.083 1.00 24.31 C ATOM 615 OE1 GLU A 40 4.414 14.707 -22.820 1.00 15.31 O ATOM 616 OE2 GLU A 40 6.104 15.252 -24.115 1.00 22.51 O ATOM 0 H GLU A 40 7.327 14.537 -18.944 1.00 64.13 H new ATOM 0 HA GLU A 40 5.577 16.845 -19.291 1.00 42.11 H new ATOM 0 HB2 GLU A 40 7.494 16.585 -20.772 1.00 45.35 H new ATOM 0 HB3 GLU A 40 7.010 14.955 -21.194 1.00 45.35 H new ATOM 0 HG2 GLU A 40 4.923 16.975 -21.718 1.00 34.22 H new ATOM 0 HG3 GLU A 40 6.402 17.246 -22.619 1.00 34.22 H new ATOM 623 N TYR A 41 3.431 15.790 -19.955 1.00 73.43 N ATOM 624 CA TYR A 41 2.131 15.171 -20.178 1.00 50.50 C ATOM 625 C TYR A 41 1.317 15.965 -21.195 1.00 23.22 C ATOM 626 O TYR A 41 0.906 17.095 -20.931 1.00 13.41 O ATOM 627 CB TYR A 41 1.360 15.065 -18.862 1.00 25.50 C ATOM 628 CG TYR A 41 0.056 14.309 -18.982 1.00 25.32 C ATOM 629 CD1 TYR A 41 0.040 12.922 -19.061 1.00 23.22 C ATOM 630 CD2 TYR A 41 -1.159 14.981 -19.014 1.00 1.24 C ATOM 631 CE1 TYR A 41 -1.149 12.227 -19.172 1.00 34.11 C ATOM 632 CE2 TYR A 41 -2.353 14.294 -19.123 1.00 32.41 C ATOM 633 CZ TYR A 41 -2.342 12.917 -19.202 1.00 70.21 C ATOM 634 OH TYR A 41 -3.528 12.228 -19.310 1.00 42.34 O ATOM 0 H TYR A 41 3.406 16.806 -19.874 1.00 73.43 H new ATOM 0 HA TYR A 41 2.297 14.170 -20.575 1.00 50.50 H new ATOM 0 HB2 TYR A 41 1.989 14.572 -18.121 1.00 25.50 H new ATOM 0 HB3 TYR A 41 1.155 16.069 -18.489 1.00 25.50 H new ATOM 0 HD1 TYR A 41 0.973 12.378 -19.035 1.00 23.22 H new ATOM 0 HD2 TYR A 41 -1.171 16.059 -18.953 1.00 1.24 H new ATOM 0 HE1 TYR A 41 -1.144 11.149 -19.235 1.00 34.11 H new ATOM 0 HE2 TYR A 41 -3.289 14.832 -19.146 1.00 32.41 H new ATOM 0 HH TYR A 41 -4.275 12.862 -19.316 1.00 42.34 H new ATOM 644 N ASN A 42 1.087 15.365 -22.358 1.00 11.23 N ATOM 645 CA ASN A 42 0.322 16.016 -23.416 1.00 11.53 C ATOM 646 C ASN A 42 0.901 17.389 -23.740 1.00 52.41 C ATOM 647 O ASN A 42 0.164 18.349 -23.963 1.00 15.52 O ATOM 648 CB ASN A 42 -1.145 16.152 -23.003 1.00 23.41 C ATOM 649 CG ASN A 42 -1.904 14.845 -23.122 1.00 41.53 C ATOM 650 OD1 ASN A 42 -2.995 14.798 -23.691 1.00 23.51 O ATOM 651 ND2 ASN A 42 -1.329 13.775 -22.587 1.00 24.53 N ATOM 0 H ASN A 42 1.419 14.429 -22.592 1.00 11.23 H new ATOM 0 HA ASN A 42 0.384 15.396 -24.310 1.00 11.53 H new ATOM 0 HB2 ASN A 42 -1.198 16.507 -21.974 1.00 23.41 H new ATOM 0 HB3 ASN A 42 -1.626 16.906 -23.626 1.00 23.41 H new ATOM 0 HD21 ASN A 42 -1.792 12.868 -22.638 1.00 24.53 H new ATOM 0 HD22 ASN A 42 -0.424 13.860 -22.125 1.00 24.53 H new ATOM 658 N GLY A 43 2.228 17.475 -23.766 1.00 4.03 N ATOM 659 CA GLY A 43 2.883 18.735 -24.064 1.00 61.22 C ATOM 660 C GLY A 43 2.896 19.678 -22.877 1.00 0.24 C ATOM 661 O GLY A 43 3.120 20.879 -23.031 1.00 34.32 O ATOM 0 H GLY A 43 2.860 16.695 -23.586 1.00 4.03 H new ATOM 0 HA2 GLY A 43 3.908 18.542 -24.382 1.00 61.22 H new ATOM 0 HA3 GLY A 43 2.375 19.216 -24.900 1.00 61.22 H new ATOM 665 N LYS A 44 2.653 19.134 -21.690 1.00 33.23 N ATOM 666 CA LYS A 44 2.636 19.933 -20.471 1.00 65.41 C ATOM 667 C LYS A 44 3.825 19.590 -19.579 1.00 63.01 C ATOM 668 O LYS A 44 4.678 18.782 -19.948 1.00 24.11 O ATOM 669 CB LYS A 44 1.329 19.709 -19.706 1.00 70.45 C ATOM 670 CG LYS A 44 0.756 20.977 -19.096 1.00 52.42 C ATOM 671 CD LYS A 44 -0.682 21.202 -19.531 1.00 21.31 C ATOM 672 CE LYS A 44 -0.785 21.409 -21.035 1.00 23.45 C ATOM 673 NZ LYS A 44 -1.765 20.477 -21.656 1.00 1.53 N ATOM 0 H LYS A 44 2.465 18.142 -21.546 1.00 33.23 H new ATOM 0 HA LYS A 44 2.708 20.983 -20.754 1.00 65.41 H new ATOM 0 HB2 LYS A 44 0.592 19.276 -20.382 1.00 70.45 H new ATOM 0 HB3 LYS A 44 1.502 18.981 -18.914 1.00 70.45 H new ATOM 0 HG2 LYS A 44 0.803 20.913 -18.009 1.00 52.42 H new ATOM 0 HG3 LYS A 44 1.365 21.832 -19.391 1.00 52.42 H new ATOM 0 HD2 LYS A 44 -1.290 20.346 -19.238 1.00 21.31 H new ATOM 0 HD3 LYS A 44 -1.087 22.072 -19.015 1.00 21.31 H new ATOM 0 HE2 LYS A 44 -1.081 22.438 -21.241 1.00 23.45 H new ATOM 0 HE3 LYS A 44 0.195 21.262 -21.490 1.00 23.45 H new ATOM 0 HZ1 LYS A 44 -1.807 20.649 -22.681 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -1.469 19.495 -21.482 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -2.705 20.634 -21.240 1.00 1.53 H new ATOM 687 N LEU A 45 3.875 20.209 -18.403 1.00 14.32 N ATOM 688 CA LEU A 45 4.959 19.966 -17.457 1.00 43.51 C ATOM 689 C LEU A 45 4.461 20.073 -16.019 1.00 55.55 C ATOM 690 O LEU A 45 4.112 21.157 -15.552 1.00 30.12 O ATOM 691 CB LEU A 45 6.096 20.962 -17.690 1.00 75.43 C ATOM 692 CG LEU A 45 7.177 20.527 -18.681 1.00 42.24 C ATOM 693 CD1 LEU A 45 8.231 21.613 -18.832 1.00 52.41 C ATOM 694 CD2 LEU A 45 7.816 19.220 -18.235 1.00 21.22 C ATOM 0 H LEU A 45 3.178 20.882 -18.083 1.00 14.32 H new ATOM 0 HA LEU A 45 5.330 18.954 -17.619 1.00 43.51 H new ATOM 0 HB2 LEU A 45 5.665 21.899 -18.042 1.00 75.43 H new ATOM 0 HB3 LEU A 45 6.572 21.170 -16.732 1.00 75.43 H new ATOM 0 HG LEU A 45 6.708 20.366 -19.652 1.00 42.24 H new ATOM 0 HD11 LEU A 45 8.992 21.286 -19.541 1.00 52.41 H new ATOM 0 HD12 LEU A 45 7.762 22.526 -19.199 1.00 52.41 H new ATOM 0 HD13 LEU A 45 8.695 21.806 -17.865 1.00 52.41 H new ATOM 0 HD21 LEU A 45 8.582 18.926 -18.952 1.00 21.22 H new ATOM 0 HD22 LEU A 45 8.270 19.353 -17.253 1.00 21.22 H new ATOM 0 HD23 LEU A 45 7.054 18.443 -18.180 1.00 21.22 H new ATOM 706 N TYR A 46 4.432 18.942 -15.323 1.00 55.43 N ATOM 707 CA TYR A 46 3.977 18.908 -13.939 1.00 11.04 C ATOM 708 C TYR A 46 5.106 18.484 -13.004 1.00 53.33 C ATOM 709 O TYR A 46 6.055 17.818 -13.420 1.00 21.13 O ATOM 710 CB TYR A 46 2.793 17.951 -13.793 1.00 43.33 C ATOM 711 CG TYR A 46 1.602 18.327 -14.646 1.00 53.15 C ATOM 712 CD1 TYR A 46 0.626 19.193 -14.168 1.00 74.31 C ATOM 713 CD2 TYR A 46 1.452 17.815 -15.929 1.00 63.21 C ATOM 714 CE1 TYR A 46 -0.464 19.539 -14.944 1.00 31.23 C ATOM 715 CE2 TYR A 46 0.367 18.157 -16.712 1.00 42.43 C ATOM 716 CZ TYR A 46 -0.589 19.018 -16.215 1.00 62.42 C ATOM 717 OH TYR A 46 -1.672 19.360 -16.992 1.00 20.43 O ATOM 0 H TYR A 46 4.718 18.037 -15.695 1.00 55.43 H new ATOM 0 HA TYR A 46 3.660 19.914 -13.663 1.00 11.04 H new ATOM 0 HB2 TYR A 46 3.116 16.944 -14.058 1.00 43.33 H new ATOM 0 HB3 TYR A 46 2.486 17.923 -12.747 1.00 43.33 H new ATOM 0 HD1 TYR A 46 0.721 19.603 -13.173 1.00 74.31 H new ATOM 0 HD2 TYR A 46 2.197 17.138 -16.321 1.00 63.21 H new ATOM 0 HE1 TYR A 46 -1.214 20.214 -14.557 1.00 31.23 H new ATOM 0 HE2 TYR A 46 0.268 17.752 -17.708 1.00 42.43 H new ATOM 0 HH TYR A 46 -1.972 20.262 -16.756 1.00 20.43 H new ATOM 727 N LYS A 47 4.996 18.873 -11.740 1.00 23.34 N ATOM 728 CA LYS A 47 6.004 18.534 -10.742 1.00 74.24 C ATOM 729 C LYS A 47 5.355 17.980 -9.478 1.00 12.34 C ATOM 730 O LYS A 47 4.544 18.651 -8.840 1.00 64.05 O ATOM 731 CB LYS A 47 6.846 19.764 -10.400 1.00 25.31 C ATOM 732 CG LYS A 47 7.771 19.557 -9.212 1.00 21.13 C ATOM 733 CD LYS A 47 9.047 20.370 -9.349 1.00 41.31 C ATOM 734 CE LYS A 47 8.988 21.644 -8.520 1.00 31.20 C ATOM 735 NZ LYS A 47 9.064 21.359 -7.061 1.00 24.44 N ATOM 0 H LYS A 47 4.217 19.425 -11.381 1.00 23.34 H new ATOM 0 HA LYS A 47 6.651 17.764 -11.163 1.00 74.24 H new ATOM 0 HB2 LYS A 47 7.442 20.039 -11.270 1.00 25.31 H new ATOM 0 HB3 LYS A 47 6.181 20.602 -10.191 1.00 25.31 H new ATOM 0 HG2 LYS A 47 7.255 19.840 -8.295 1.00 21.13 H new ATOM 0 HG3 LYS A 47 8.020 18.500 -9.124 1.00 21.13 H new ATOM 0 HD2 LYS A 47 9.899 19.768 -9.033 1.00 41.31 H new ATOM 0 HD3 LYS A 47 9.207 20.624 -10.397 1.00 41.31 H new ATOM 0 HE2 LYS A 47 9.809 22.301 -8.805 1.00 31.20 H new ATOM 0 HE3 LYS A 47 8.063 22.177 -8.738 1.00 31.20 H new ATOM 0 HZ1 LYS A 47 8.359 21.935 -6.558 1.00 24.44 H new ATOM 0 HZ2 LYS A 47 8.871 20.351 -6.894 1.00 24.44 H new ATOM 0 HZ3 LYS A 47 10.015 21.592 -6.711 1.00 24.44 H new ATOM 749 N ALA A 48 5.718 16.753 -9.121 1.00 34.54 N ATOM 750 CA ALA A 48 5.173 16.111 -7.930 1.00 51.12 C ATOM 751 C ALA A 48 5.560 16.875 -6.669 1.00 61.13 C ATOM 752 O ALA A 48 6.737 16.961 -6.318 1.00 13.31 O ATOM 753 CB ALA A 48 5.651 14.669 -7.843 1.00 35.13 C ATOM 0 H ALA A 48 6.387 16.183 -9.639 1.00 34.54 H new ATOM 0 HA ALA A 48 4.086 16.118 -8.008 1.00 51.12 H new ATOM 0 HB1 ALA A 48 5.237 14.202 -6.950 1.00 35.13 H new ATOM 0 HB2 ALA A 48 5.319 14.122 -8.726 1.00 35.13 H new ATOM 0 HB3 ALA A 48 6.740 14.649 -7.791 1.00 35.13 H new ATOM 759 N LYS A 49 4.561 17.432 -5.992 1.00 20.42 N ATOM 760 CA LYS A 49 4.796 18.190 -4.768 1.00 74.11 C ATOM 761 C LYS A 49 5.478 17.324 -3.713 1.00 14.51 C ATOM 762 O LYS A 49 6.466 17.733 -3.105 1.00 20.22 O ATOM 763 CB LYS A 49 3.475 18.734 -4.220 1.00 23.22 C ATOM 764 CG LYS A 49 2.607 19.397 -5.274 1.00 44.33 C ATOM 765 CD LYS A 49 1.576 20.322 -4.647 1.00 73.25 C ATOM 766 CE LYS A 49 1.466 21.634 -5.410 1.00 52.12 C ATOM 767 NZ LYS A 49 0.792 22.689 -4.605 1.00 44.20 N ATOM 0 H LYS A 49 3.581 17.373 -6.270 1.00 20.42 H new ATOM 0 HA LYS A 49 5.455 19.025 -5.008 1.00 74.11 H new ATOM 0 HB2 LYS A 49 2.917 17.917 -3.763 1.00 23.22 H new ATOM 0 HB3 LYS A 49 3.688 19.455 -3.431 1.00 23.22 H new ATOM 0 HG2 LYS A 49 3.236 19.964 -5.961 1.00 44.33 H new ATOM 0 HG3 LYS A 49 2.101 18.632 -5.863 1.00 44.33 H new ATOM 0 HD2 LYS A 49 0.605 19.827 -4.630 1.00 73.25 H new ATOM 0 HD3 LYS A 49 1.849 20.524 -3.611 1.00 73.25 H new ATOM 0 HE2 LYS A 49 2.462 21.974 -5.693 1.00 52.12 H new ATOM 0 HE3 LYS A 49 0.910 21.471 -6.334 1.00 52.12 H new ATOM 0 HZ1 LYS A 49 0.737 23.567 -5.160 1.00 44.20 H new ATOM 0 HZ2 LYS A 49 -0.168 22.376 -4.356 1.00 44.20 H new ATOM 0 HZ3 LYS A 49 1.336 22.863 -3.736 1.00 44.20 H new ATOM 781 N TYR A 50 4.943 16.126 -3.503 1.00 21.31 N ATOM 782 CA TYR A 50 5.499 15.202 -2.522 1.00 60.30 C ATOM 783 C TYR A 50 5.417 13.763 -3.020 1.00 75.25 C ATOM 784 O TYR A 50 4.830 13.489 -4.066 1.00 43.41 O ATOM 785 CB TYR A 50 4.760 15.335 -1.189 1.00 12.52 C ATOM 786 CG TYR A 50 3.368 14.745 -1.207 1.00 54.12 C ATOM 787 CD1 TYR A 50 2.376 15.281 -2.020 1.00 54.31 C ATOM 788 CD2 TYR A 50 3.044 13.652 -0.413 1.00 63.12 C ATOM 789 CE1 TYR A 50 1.103 14.746 -2.040 1.00 3.12 C ATOM 790 CE2 TYR A 50 1.773 13.110 -0.427 1.00 71.35 C ATOM 791 CZ TYR A 50 0.806 13.660 -1.243 1.00 63.53 C ATOM 792 OH TYR A 50 -0.460 13.124 -1.259 1.00 14.25 O ATOM 0 H TYR A 50 4.125 15.772 -3.999 1.00 21.31 H new ATOM 0 HA TYR A 50 6.549 15.457 -2.375 1.00 60.30 H new ATOM 0 HB2 TYR A 50 5.343 14.845 -0.409 1.00 12.52 H new ATOM 0 HB3 TYR A 50 4.695 16.390 -0.923 1.00 12.52 H new ATOM 0 HD1 TYR A 50 2.605 16.130 -2.647 1.00 54.31 H new ATOM 0 HD2 TYR A 50 3.799 13.218 0.226 1.00 63.12 H new ATOM 0 HE1 TYR A 50 0.344 15.176 -2.677 1.00 3.12 H new ATOM 0 HE2 TYR A 50 1.538 12.261 0.197 1.00 71.35 H new ATOM 0 HH TYR A 50 -0.501 12.364 -0.642 1.00 14.25 H new ATOM 802 N TRP A 51 6.012 12.847 -2.263 1.00 44.51 N ATOM 803 CA TRP A 51 6.006 11.435 -2.627 1.00 31.44 C ATOM 804 C TRP A 51 4.594 10.962 -2.953 1.00 35.22 C ATOM 805 O TRP A 51 3.728 10.911 -2.078 1.00 54.21 O ATOM 806 CB TRP A 51 6.591 10.592 -1.491 1.00 44.31 C ATOM 807 CG TRP A 51 7.406 9.431 -1.973 1.00 14.23 C ATOM 808 CD1 TRP A 51 8.655 9.478 -2.523 1.00 51.31 C ATOM 809 CD2 TRP A 51 7.029 8.050 -1.948 1.00 14.21 C ATOM 810 NE1 TRP A 51 9.077 8.210 -2.842 1.00 51.21 N ATOM 811 CE2 TRP A 51 8.097 7.316 -2.499 1.00 21.34 C ATOM 812 CE3 TRP A 51 5.893 7.362 -1.512 1.00 2.43 C ATOM 813 CZ2 TRP A 51 8.061 5.929 -2.625 1.00 64.41 C ATOM 814 CZ3 TRP A 51 5.858 5.986 -1.638 1.00 2.00 C ATOM 815 CH2 TRP A 51 6.936 5.282 -2.190 1.00 34.33 C ATOM 0 H TRP A 51 6.504 13.057 -1.395 1.00 44.51 H new ATOM 0 HA TRP A 51 6.624 11.312 -3.517 1.00 31.44 H new ATOM 0 HB2 TRP A 51 7.213 11.227 -0.860 1.00 44.31 H new ATOM 0 HB3 TRP A 51 5.778 10.222 -0.867 1.00 44.31 H new ATOM 0 HD1 TRP A 51 9.227 10.380 -2.684 1.00 51.31 H new ATOM 0 HE1 TRP A 51 9.974 7.973 -3.265 1.00 51.21 H new ATOM 0 HE3 TRP A 51 5.057 7.896 -1.084 1.00 2.43 H new ATOM 0 HZ2 TRP A 51 8.891 5.384 -3.050 1.00 64.41 H new ATOM 0 HZ3 TRP A 51 4.985 5.444 -1.305 1.00 2.00 H new ATOM 0 HH2 TRP A 51 6.878 4.207 -2.274 1.00 34.33 H new ATOM 826 N THR A 52 4.367 10.616 -4.216 1.00 0.34 N ATOM 827 CA THR A 52 3.060 10.148 -4.657 1.00 44.55 C ATOM 828 C THR A 52 3.162 9.393 -5.978 1.00 41.21 C ATOM 829 O THR A 52 4.080 9.622 -6.766 1.00 51.41 O ATOM 830 CB THR A 52 2.071 11.317 -4.823 1.00 42.12 C ATOM 831 OG1 THR A 52 2.139 12.182 -3.684 1.00 3.15 O ATOM 832 CG2 THR A 52 0.649 10.805 -4.993 1.00 12.52 C ATOM 0 H THR A 52 5.072 10.651 -4.952 1.00 0.34 H new ATOM 0 HA THR A 52 2.689 9.474 -3.884 1.00 44.55 H new ATOM 0 HB THR A 52 2.349 11.873 -5.718 1.00 42.12 H new ATOM 0 HG1 THR A 52 2.427 11.669 -2.900 1.00 3.15 H new ATOM 0 HG21 THR A 52 -0.030 11.649 -5.108 1.00 12.52 H new ATOM 0 HG22 THR A 52 0.594 10.171 -5.878 1.00 12.52 H new ATOM 0 HG23 THR A 52 0.363 10.227 -4.114 1.00 12.52 H new ATOM 840 N THR A 53 2.214 8.492 -6.215 1.00 23.05 N ATOM 841 CA THR A 53 2.199 7.703 -7.439 1.00 53.50 C ATOM 842 C THR A 53 0.833 7.764 -8.115 1.00 34.11 C ATOM 843 O THR A 53 -0.136 7.176 -7.633 1.00 72.04 O ATOM 844 CB THR A 53 2.556 6.230 -7.163 1.00 61.05 C ATOM 845 OG1 THR A 53 2.896 6.058 -5.783 1.00 1.04 O ATOM 846 CG2 THR A 53 3.720 5.784 -8.036 1.00 31.24 C ATOM 0 H THR A 53 1.446 8.291 -5.574 1.00 23.05 H new ATOM 0 HA THR A 53 2.950 8.133 -8.101 1.00 53.50 H new ATOM 0 HB THR A 53 1.686 5.617 -7.401 1.00 61.05 H new ATOM 0 HG1 THR A 53 3.851 6.240 -5.656 1.00 1.04 H new ATOM 0 HG21 THR A 53 3.955 4.741 -7.824 1.00 31.24 H new ATOM 0 HG22 THR A 53 3.448 5.889 -9.086 1.00 31.24 H new ATOM 0 HG23 THR A 53 4.592 6.403 -7.824 1.00 31.24 H new ATOM 854 N SER A 54 0.763 8.477 -9.234 1.00 75.14 N ATOM 855 CA SER A 54 -0.485 8.616 -9.975 1.00 61.44 C ATOM 856 C SER A 54 -0.305 9.546 -11.172 1.00 64.51 C ATOM 857 O SER A 54 0.525 10.455 -11.165 1.00 21.51 O ATOM 858 CB SER A 54 -1.588 9.152 -9.060 1.00 34.04 C ATOM 859 OG SER A 54 -2.500 9.962 -9.781 1.00 13.13 O ATOM 0 H SER A 54 1.556 8.968 -9.648 1.00 75.14 H new ATOM 0 HA SER A 54 -0.773 7.631 -10.342 1.00 61.44 H new ATOM 0 HB2 SER A 54 -2.121 8.319 -8.601 1.00 34.04 H new ATOM 0 HB3 SER A 54 -1.144 9.731 -8.250 1.00 34.04 H new ATOM 0 HG SER A 54 -3.196 10.291 -9.174 1.00 13.13 H new ATOM 865 N PRO A 55 -1.102 9.315 -12.224 1.00 51.40 N ATOM 866 CA PRO A 55 -1.052 10.121 -13.448 1.00 21.12 C ATOM 867 C PRO A 55 -1.582 11.535 -13.234 1.00 21.44 C ATOM 868 O PRO A 55 -2.394 11.791 -12.345 1.00 71.41 O ATOM 869 CB PRO A 55 -1.955 9.353 -14.416 1.00 41.44 C ATOM 870 CG PRO A 55 -2.894 8.598 -13.540 1.00 42.53 C ATOM 871 CD PRO A 55 -2.116 8.249 -12.302 1.00 62.51 C ATOM 0 HA PRO A 55 -0.031 10.252 -13.808 1.00 21.12 H new ATOM 0 HB2 PRO A 55 -2.491 10.031 -15.080 1.00 41.44 H new ATOM 0 HB3 PRO A 55 -1.376 8.680 -15.048 1.00 41.44 H new ATOM 0 HG2 PRO A 55 -3.768 9.201 -13.294 1.00 42.53 H new ATOM 0 HG3 PRO A 55 -3.256 7.699 -14.039 1.00 42.53 H new ATOM 0 HD2 PRO A 55 -2.753 8.235 -11.418 1.00 62.51 H new ATOM 0 HD3 PRO A 55 -1.657 7.263 -12.380 1.00 62.51 H new ATOM 879 N PRO A 56 -1.113 12.476 -14.066 1.00 33.34 N ATOM 880 CA PRO A 56 -1.527 13.880 -13.988 1.00 23.52 C ATOM 881 C PRO A 56 -2.975 14.082 -14.418 1.00 11.12 C ATOM 882 O PRO A 56 -3.412 13.542 -15.434 1.00 54.12 O ATOM 883 CB PRO A 56 -0.577 14.586 -14.959 1.00 35.54 C ATOM 884 CG PRO A 56 -0.173 13.528 -15.928 1.00 74.50 C ATOM 885 CD PRO A 56 -0.143 12.241 -15.149 1.00 63.54 C ATOM 0 HA PRO A 56 -1.477 14.263 -12.969 1.00 23.52 H new ATOM 0 HB2 PRO A 56 -1.071 15.417 -15.463 1.00 35.54 H new ATOM 0 HB3 PRO A 56 0.288 14.998 -14.438 1.00 35.54 H new ATOM 0 HG2 PRO A 56 -0.880 13.467 -16.756 1.00 74.50 H new ATOM 0 HG3 PRO A 56 0.804 13.746 -16.359 1.00 74.50 H new ATOM 0 HD2 PRO A 56 -0.429 11.390 -15.767 1.00 63.54 H new ATOM 0 HD3 PRO A 56 0.853 12.031 -14.758 1.00 63.54 H new ATOM 893 N SER A 57 -3.716 14.864 -13.638 1.00 52.24 N ATOM 894 CA SER A 57 -5.117 15.135 -13.938 1.00 3.21 C ATOM 895 C SER A 57 -5.732 16.048 -12.881 1.00 13.12 C ATOM 896 O SER A 57 -6.011 17.217 -13.142 1.00 64.24 O ATOM 897 CB SER A 57 -5.905 13.826 -14.019 1.00 11.11 C ATOM 898 OG SER A 57 -5.269 12.801 -13.278 1.00 35.43 O ATOM 0 H SER A 57 -3.369 15.320 -12.794 1.00 52.24 H new ATOM 0 HA SER A 57 -5.166 15.641 -14.902 1.00 3.21 H new ATOM 0 HB2 SER A 57 -6.914 13.982 -13.638 1.00 11.11 H new ATOM 0 HB3 SER A 57 -6.001 13.520 -15.061 1.00 11.11 H new ATOM 0 HG SER A 57 -5.793 11.976 -13.345 1.00 35.43 H new ATOM 904 N ASP A 58 -5.940 15.503 -11.688 1.00 31.40 N ATOM 905 CA ASP A 58 -6.521 16.267 -10.590 1.00 34.34 C ATOM 906 C ASP A 58 -5.834 15.930 -9.270 1.00 51.20 C ATOM 907 O ASP A 58 -5.869 14.786 -8.815 1.00 44.53 O ATOM 908 CB ASP A 58 -8.021 15.989 -10.484 1.00 14.12 C ATOM 909 CG ASP A 58 -8.739 17.004 -9.616 1.00 53.14 C ATOM 910 OD1 ASP A 58 -8.712 16.848 -8.377 1.00 2.52 O ATOM 911 OD2 ASP A 58 -9.327 17.953 -10.176 1.00 10.43 O ATOM 0 H ASP A 58 -5.715 14.535 -11.456 1.00 31.40 H new ATOM 0 HA ASP A 58 -6.370 17.326 -10.798 1.00 34.34 H new ATOM 0 HB2 ASP A 58 -8.460 15.994 -11.482 1.00 14.12 H new ATOM 0 HB3 ASP A 58 -8.174 14.991 -10.073 1.00 14.12 H new ATOM 916 N ASP A 59 -5.210 16.931 -8.662 1.00 24.53 N ATOM 917 CA ASP A 59 -4.514 16.741 -7.394 1.00 64.51 C ATOM 918 C ASP A 59 -5.252 17.444 -6.258 1.00 52.12 C ATOM 919 O ASP A 59 -4.910 18.558 -5.858 1.00 52.10 O ATOM 920 CB ASP A 59 -3.081 17.267 -7.490 1.00 73.21 C ATOM 921 CG ASP A 59 -2.956 18.436 -8.447 1.00 14.34 C ATOM 922 OD1 ASP A 59 -3.149 19.588 -8.006 1.00 62.11 O ATOM 923 OD2 ASP A 59 -2.664 18.198 -9.638 1.00 64.31 O ATOM 0 H ASP A 59 -5.171 17.883 -9.026 1.00 24.53 H new ATOM 0 HA ASP A 59 -4.487 15.673 -7.180 1.00 64.51 H new ATOM 0 HB2 ASP A 59 -2.743 17.574 -6.500 1.00 73.21 H new ATOM 0 HB3 ASP A 59 -2.423 16.462 -7.817 1.00 73.21 H new ATOM 928 N PRO A 60 -6.289 16.782 -5.726 1.00 12.20 N ATOM 929 CA PRO A 60 -7.097 17.324 -4.630 1.00 1.35 C ATOM 930 C PRO A 60 -6.329 17.376 -3.314 1.00 24.31 C ATOM 931 O PRO A 60 -6.767 18.008 -2.353 1.00 65.12 O ATOM 932 CB PRO A 60 -8.265 16.340 -4.530 1.00 24.32 C ATOM 933 CG PRO A 60 -7.732 15.062 -5.080 1.00 3.44 C ATOM 934 CD PRO A 60 -6.753 15.451 -6.153 1.00 32.13 C ATOM 0 HA PRO A 60 -7.404 18.353 -4.820 1.00 1.35 H new ATOM 0 HB2 PRO A 60 -8.594 16.220 -3.498 1.00 24.32 H new ATOM 0 HB3 PRO A 60 -9.126 16.688 -5.101 1.00 24.32 H new ATOM 0 HG2 PRO A 60 -7.245 14.475 -4.301 1.00 3.44 H new ATOM 0 HG3 PRO A 60 -8.535 14.448 -5.488 1.00 3.44 H new ATOM 0 HD2 PRO A 60 -5.929 14.741 -6.221 1.00 32.13 H new ATOM 0 HD3 PRO A 60 -7.226 15.486 -7.135 1.00 32.13 H new ATOM 942 N TYR A 61 -5.182 16.707 -3.277 1.00 41.22 N ATOM 943 CA TYR A 61 -4.353 16.676 -2.078 1.00 12.12 C ATOM 944 C TYR A 61 -3.035 17.409 -2.307 1.00 31.35 C ATOM 945 O TYR A 61 -2.230 17.562 -1.390 1.00 3.10 O ATOM 946 CB TYR A 61 -4.079 15.230 -1.659 1.00 13.51 C ATOM 947 CG TYR A 61 -4.223 14.236 -2.789 1.00 14.34 C ATOM 948 CD1 TYR A 61 -3.326 14.223 -3.850 1.00 24.43 C ATOM 949 CD2 TYR A 61 -5.257 13.307 -2.796 1.00 24.25 C ATOM 950 CE1 TYR A 61 -3.454 13.316 -4.884 1.00 23.04 C ATOM 951 CE2 TYR A 61 -5.393 12.395 -3.825 1.00 43.23 C ATOM 952 CZ TYR A 61 -4.489 12.405 -4.867 1.00 33.13 C ATOM 953 OH TYR A 61 -4.619 11.499 -5.895 1.00 31.13 O ATOM 0 H TYR A 61 -4.805 16.179 -4.064 1.00 41.22 H new ATOM 0 HA TYR A 61 -4.895 17.182 -1.280 1.00 12.12 H new ATOM 0 HB2 TYR A 61 -3.070 15.163 -1.253 1.00 13.51 H new ATOM 0 HB3 TYR A 61 -4.764 14.957 -0.856 1.00 13.51 H new ATOM 0 HD1 TYR A 61 -2.514 14.935 -3.867 1.00 24.43 H new ATOM 0 HD2 TYR A 61 -5.967 13.298 -1.982 1.00 24.25 H new ATOM 0 HE1 TYR A 61 -2.748 13.320 -5.701 1.00 23.04 H new ATOM 0 HE2 TYR A 61 -6.202 11.679 -3.814 1.00 43.23 H new ATOM 0 HH TYR A 61 -5.398 10.928 -5.731 1.00 31.13 H new ATOM 963 N GLY A 62 -2.823 17.861 -3.539 1.00 34.23 N ATOM 964 CA GLY A 62 -1.602 18.574 -3.868 1.00 32.33 C ATOM 965 C GLY A 62 -0.441 17.638 -4.141 1.00 23.50 C ATOM 966 O GLY A 62 0.645 17.808 -3.588 1.00 22.45 O ATOM 0 H GLY A 62 -3.475 17.746 -4.315 1.00 34.23 H new ATOM 0 HA2 GLY A 62 -1.775 19.199 -4.744 1.00 32.33 H new ATOM 0 HA3 GLY A 62 -1.342 19.241 -3.046 1.00 32.33 H new ATOM 970 N SER A 63 -0.670 16.646 -4.996 1.00 44.12 N ATOM 971 CA SER A 63 0.365 15.677 -5.338 1.00 22.10 C ATOM 972 C SER A 63 1.155 16.134 -6.560 1.00 23.45 C ATOM 973 O SER A 63 2.218 15.592 -6.864 1.00 14.13 O ATOM 974 CB SER A 63 -0.259 14.306 -5.603 1.00 25.10 C ATOM 975 OG SER A 63 -1.000 14.308 -6.812 1.00 24.13 O ATOM 0 H SER A 63 -1.563 16.492 -5.464 1.00 44.12 H new ATOM 0 HA SER A 63 1.050 15.600 -4.493 1.00 22.10 H new ATOM 0 HB2 SER A 63 0.525 13.550 -5.654 1.00 25.10 H new ATOM 0 HB3 SER A 63 -0.911 14.033 -4.773 1.00 25.10 H new ATOM 0 HG SER A 63 -0.386 14.240 -7.572 1.00 24.13 H new ATOM 981 N TRP A 64 0.629 17.134 -7.256 1.00 45.14 N ATOM 982 CA TRP A 64 1.285 17.666 -8.446 1.00 31.02 C ATOM 983 C TRP A 64 1.210 19.188 -8.476 1.00 24.45 C ATOM 984 O TRP A 64 0.375 19.789 -7.801 1.00 44.21 O ATOM 985 CB TRP A 64 0.644 17.087 -9.708 1.00 13.25 C ATOM 986 CG TRP A 64 1.100 15.693 -10.019 1.00 50.11 C ATOM 987 CD1 TRP A 64 0.407 14.536 -9.804 1.00 20.03 C ATOM 988 CD2 TRP A 64 2.351 15.311 -10.601 1.00 53.03 C ATOM 989 NE1 TRP A 64 1.152 13.457 -10.216 1.00 42.54 N ATOM 990 CE2 TRP A 64 2.347 13.906 -10.710 1.00 73.12 C ATOM 991 CE3 TRP A 64 3.472 16.017 -11.043 1.00 61.51 C ATOM 992 CZ2 TRP A 64 3.423 13.198 -11.241 1.00 65.33 C ATOM 993 CZ3 TRP A 64 4.539 15.313 -11.568 1.00 44.33 C ATOM 994 CH2 TRP A 64 4.508 13.916 -11.665 1.00 45.11 C ATOM 0 H TRP A 64 -0.250 17.594 -7.018 1.00 45.14 H new ATOM 0 HA TRP A 64 2.335 17.374 -8.412 1.00 31.02 H new ATOM 0 HB2 TRP A 64 -0.440 17.090 -9.591 1.00 13.25 H new ATOM 0 HB3 TRP A 64 0.875 17.734 -10.554 1.00 13.25 H new ATOM 0 HD1 TRP A 64 -0.582 14.477 -9.373 1.00 20.03 H new ATOM 0 HE1 TRP A 64 0.862 12.481 -10.162 1.00 42.54 H new ATOM 0 HE3 TRP A 64 3.504 17.094 -10.976 1.00 61.51 H new ATOM 0 HZ2 TRP A 64 3.402 12.121 -11.315 1.00 65.33 H new ATOM 0 HZ3 TRP A 64 5.412 15.849 -11.909 1.00 44.33 H new ATOM 0 HH2 TRP A 64 5.357 13.395 -12.083 1.00 45.11 H new ATOM 1005 N GLU A 65 2.087 19.805 -9.262 1.00 4.22 N ATOM 1006 CA GLU A 65 2.118 21.258 -9.378 1.00 24.43 C ATOM 1007 C GLU A 65 2.526 21.683 -10.784 1.00 52.53 C ATOM 1008 O GLU A 65 3.688 21.557 -11.170 1.00 70.34 O ATOM 1009 CB GLU A 65 3.085 21.853 -8.352 1.00 72.15 C ATOM 1010 CG GLU A 65 2.782 23.299 -7.996 1.00 13.11 C ATOM 1011 CD GLU A 65 3.713 23.845 -6.931 1.00 40.42 C ATOM 1012 OE1 GLU A 65 4.428 23.039 -6.299 1.00 74.45 O ATOM 1013 OE2 GLU A 65 3.727 25.077 -6.729 1.00 4.12 O ATOM 0 H GLU A 65 2.785 19.321 -9.827 1.00 4.22 H new ATOM 0 HA GLU A 65 1.114 21.634 -9.181 1.00 24.43 H new ATOM 0 HB2 GLU A 65 3.054 21.250 -7.444 1.00 72.15 H new ATOM 0 HB3 GLU A 65 4.101 21.789 -8.743 1.00 72.15 H new ATOM 0 HG2 GLU A 65 2.861 23.914 -8.892 1.00 13.11 H new ATOM 0 HG3 GLU A 65 1.752 23.375 -7.647 1.00 13.11 H new ATOM 1020 N TYR A 66 1.562 22.186 -11.548 1.00 42.23 N ATOM 1021 CA TYR A 66 1.819 22.627 -12.914 1.00 3.01 C ATOM 1022 C TYR A 66 2.776 23.815 -12.931 1.00 72.11 C ATOM 1023 O TYR A 66 2.435 24.909 -12.481 1.00 63.20 O ATOM 1024 CB TYR A 66 0.508 23.003 -13.606 1.00 62.32 C ATOM 1025 CG TYR A 66 0.701 23.803 -14.874 1.00 54.30 C ATOM 1026 CD1 TYR A 66 0.771 25.190 -14.842 1.00 22.52 C ATOM 1027 CD2 TYR A 66 0.815 23.170 -16.106 1.00 61.13 C ATOM 1028 CE1 TYR A 66 0.947 25.925 -15.998 1.00 1.54 C ATOM 1029 CE2 TYR A 66 0.993 23.897 -17.268 1.00 14.24 C ATOM 1030 CZ TYR A 66 1.057 25.273 -17.209 1.00 64.10 C ATOM 1031 OH TYR A 66 1.234 26.002 -18.363 1.00 13.31 O ATOM 0 H TYR A 66 0.595 22.298 -11.244 1.00 42.23 H new ATOM 0 HA TYR A 66 2.283 21.802 -13.455 1.00 3.01 H new ATOM 0 HB2 TYR A 66 -0.043 22.093 -13.841 1.00 62.32 H new ATOM 0 HB3 TYR A 66 -0.107 23.578 -12.914 1.00 62.32 H new ATOM 0 HD1 TYR A 66 0.686 25.703 -13.896 1.00 22.52 H new ATOM 0 HD2 TYR A 66 0.764 22.092 -16.156 1.00 61.13 H new ATOM 0 HE1 TYR A 66 0.998 27.003 -15.954 1.00 1.54 H new ATOM 0 HE2 TYR A 66 1.082 23.390 -18.217 1.00 14.24 H new ATOM 0 HH TYR A 66 1.294 25.393 -19.129 1.00 13.31 H new ATOM 1041 N LEU A 67 3.976 23.592 -13.455 1.00 15.20 N ATOM 1042 CA LEU A 67 4.985 24.643 -13.533 1.00 74.03 C ATOM 1043 C LEU A 67 4.965 25.315 -14.902 1.00 70.10 C ATOM 1044 O LEU A 67 5.420 26.448 -15.055 1.00 11.03 O ATOM 1045 CB LEU A 67 6.374 24.065 -13.257 1.00 22.50 C ATOM 1046 CG LEU A 67 6.472 23.081 -12.090 1.00 5.24 C ATOM 1047 CD1 LEU A 67 7.864 22.474 -12.020 1.00 33.13 C ATOM 1048 CD2 LEU A 67 6.123 23.772 -10.780 1.00 64.41 C ATOM 0 H LEU A 67 4.274 22.693 -13.832 1.00 15.20 H new ATOM 0 HA LEU A 67 4.753 25.393 -12.776 1.00 74.03 H new ATOM 0 HB2 LEU A 67 6.723 23.563 -14.160 1.00 22.50 H new ATOM 0 HB3 LEU A 67 7.059 24.892 -13.067 1.00 22.50 H new ATOM 0 HG LEU A 67 5.755 22.277 -12.256 1.00 5.24 H new ATOM 0 HD11 LEU A 67 7.915 21.777 -11.184 1.00 33.13 H new ATOM 0 HD12 LEU A 67 8.077 21.944 -12.948 1.00 33.13 H new ATOM 0 HD13 LEU A 67 8.599 23.266 -11.878 1.00 33.13 H new ATOM 0 HD21 LEU A 67 6.198 23.057 -9.960 1.00 64.41 H new ATOM 0 HD22 LEU A 67 6.816 24.596 -10.607 1.00 64.41 H new ATOM 0 HD23 LEU A 67 5.105 24.159 -10.832 1.00 64.41 H new ATOM 1060 N GLY A 68 4.433 24.609 -15.896 1.00 64.23 N ATOM 1061 CA GLY A 68 4.361 25.155 -17.238 1.00 41.04 C ATOM 1062 C GLY A 68 4.077 24.093 -18.282 1.00 44.11 C ATOM 1063 O GLY A 68 3.655 22.986 -17.950 1.00 23.04 O ATOM 0 H GLY A 68 4.051 23.669 -15.795 1.00 64.23 H new ATOM 0 HA2 GLY A 68 3.581 25.915 -17.276 1.00 41.04 H new ATOM 0 HA3 GLY A 68 5.302 25.651 -17.476 1.00 41.04 H new ATOM 1067 N GLU A 69 4.305 24.432 -19.546 1.00 12.40 N ATOM 1068 CA GLU A 69 4.067 23.498 -20.642 1.00 64.31 C ATOM 1069 C GLU A 69 5.367 23.173 -21.371 1.00 12.50 C ATOM 1070 O GLU A 69 6.277 23.998 -21.436 1.00 74.22 O ATOM 1071 CB GLU A 69 3.050 24.081 -21.625 1.00 2.14 C ATOM 1072 CG GLU A 69 1.698 23.388 -21.584 1.00 3.32 C ATOM 1073 CD GLU A 69 0.688 24.023 -22.519 1.00 41.34 C ATOM 1074 OE1 GLU A 69 0.655 25.270 -22.599 1.00 13.24 O ATOM 1075 OE2 GLU A 69 -0.069 23.275 -23.172 1.00 50.32 O ATOM 0 H GLU A 69 4.654 25.345 -19.838 1.00 12.40 H new ATOM 0 HA GLU A 69 3.667 22.576 -20.220 1.00 64.31 H new ATOM 0 HB2 GLU A 69 2.913 25.140 -21.407 1.00 2.14 H new ATOM 0 HB3 GLU A 69 3.453 24.013 -22.635 1.00 2.14 H new ATOM 0 HG2 GLU A 69 1.824 22.338 -21.850 1.00 3.32 H new ATOM 0 HG3 GLU A 69 1.311 23.415 -20.565 1.00 3.32 H new ATOM 1082 N ALA A 70 5.445 21.963 -21.917 1.00 42.12 N ATOM 1083 CA ALA A 70 6.632 21.528 -22.642 1.00 42.01 C ATOM 1084 C ALA A 70 7.031 22.548 -23.704 1.00 12.40 C ATOM 1085 O ALA A 70 8.089 23.169 -23.613 1.00 73.01 O ATOM 1086 CB ALA A 70 6.392 20.167 -23.278 1.00 51.20 C ATOM 0 H ALA A 70 4.700 21.268 -21.871 1.00 42.12 H new ATOM 0 HA ALA A 70 7.453 21.444 -21.930 1.00 42.01 H new ATOM 0 HB1 ALA A 70 7.287 19.854 -23.816 1.00 51.20 H new ATOM 0 HB2 ALA A 70 6.162 19.438 -22.501 1.00 51.20 H new ATOM 0 HB3 ALA A 70 5.555 20.233 -23.973 1.00 51.20 H new ATOM 1092 N GLU A 71 6.178 22.713 -24.710 1.00 3.44 N ATOM 1093 CA GLU A 71 6.443 23.657 -25.789 1.00 32.53 C ATOM 1094 C GLU A 71 6.819 25.027 -25.233 1.00 70.14 C ATOM 1095 O GLU A 71 5.987 25.755 -24.692 1.00 74.33 O ATOM 1096 CB GLU A 71 5.220 23.782 -26.699 1.00 55.21 C ATOM 1097 CG GLU A 71 4.816 22.474 -27.360 1.00 4.04 C ATOM 1098 CD GLU A 71 4.060 22.684 -28.657 1.00 2.42 C ATOM 1099 OE1 GLU A 71 2.827 22.875 -28.601 1.00 73.22 O ATOM 1100 OE2 GLU A 71 4.701 22.658 -29.728 1.00 22.31 O ATOM 0 H GLU A 71 5.298 22.205 -24.800 1.00 3.44 H new ATOM 0 HA GLU A 71 7.283 23.277 -26.371 1.00 32.53 H new ATOM 0 HB2 GLU A 71 4.380 24.159 -26.115 1.00 55.21 H new ATOM 0 HB3 GLU A 71 5.427 24.521 -27.473 1.00 55.21 H new ATOM 0 HG2 GLU A 71 5.709 21.880 -27.556 1.00 4.04 H new ATOM 0 HG3 GLU A 71 4.196 21.900 -26.672 1.00 4.04 H new ATOM 1107 N PRO A 72 8.104 25.388 -25.370 1.00 31.30 N ATOM 1108 CA PRO A 72 8.621 26.672 -24.888 1.00 1.31 C ATOM 1109 C PRO A 72 8.102 27.850 -25.706 1.00 13.33 C ATOM 1110 O PRO A 72 8.197 27.857 -26.933 1.00 52.54 O ATOM 1111 CB PRO A 72 10.136 26.530 -25.056 1.00 62.14 C ATOM 1112 CG PRO A 72 10.304 25.526 -26.142 1.00 14.52 C ATOM 1113 CD PRO A 72 9.151 24.570 -26.005 1.00 11.12 C ATOM 0 HA PRO A 72 8.309 26.878 -23.864 1.00 1.31 H new ATOM 0 HB2 PRO A 72 10.596 27.482 -25.322 1.00 62.14 H new ATOM 0 HB3 PRO A 72 10.607 26.196 -24.132 1.00 62.14 H new ATOM 0 HG2 PRO A 72 10.299 26.006 -27.121 1.00 14.52 H new ATOM 0 HG3 PRO A 72 11.257 25.005 -26.047 1.00 14.52 H new ATOM 0 HD2 PRO A 72 8.829 24.187 -26.973 1.00 11.12 H new ATOM 0 HD3 PRO A 72 9.414 23.708 -25.392 1.00 11.12 H new ATOM 1121 N THR A 73 7.552 28.845 -25.018 1.00 64.11 N ATOM 1122 CA THR A 73 7.017 30.028 -25.681 1.00 50.43 C ATOM 1123 C THR A 73 7.905 31.243 -25.440 1.00 62.31 C ATOM 1124 O THR A 73 7.415 32.338 -25.161 1.00 30.22 O ATOM 1125 CB THR A 73 5.589 30.346 -25.197 1.00 75.34 C ATOM 1126 OG1 THR A 73 5.539 30.316 -23.767 1.00 25.21 O ATOM 1127 CG2 THR A 73 4.591 29.349 -25.766 1.00 75.53 C ATOM 0 H THR A 73 7.465 28.855 -24.002 1.00 64.11 H new ATOM 0 HA THR A 73 6.991 29.807 -26.748 1.00 50.43 H new ATOM 0 HB THR A 73 5.323 31.343 -25.548 1.00 75.34 H new ATOM 0 HG1 THR A 73 4.629 30.521 -23.467 1.00 25.21 H new ATOM 0 HG21 THR A 73 3.590 29.593 -25.411 1.00 75.53 H new ATOM 0 HG22 THR A 73 4.611 29.395 -26.855 1.00 75.53 H new ATOM 0 HG23 THR A 73 4.856 28.343 -25.441 1.00 75.53 H new TER 1135 THR A 73