USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 TYR OH : rot 180:sc= 0.993 USER MOD Set 1.2: A 88 TYR OH : rot 108:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0408 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.58! C(o=-4.2!,f=-3.6!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.48 F(o=-1.8,f=-0.48) USER MOD Single : A 25 THR OG1 : rot -116:sc= -0.458 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.123) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 37 CYS SG : rot 150:sc= -0.891 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 179:sc= -0.359 USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= 0.334 (180deg=-0.591) USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= 1.08 (180deg=-2.64) USER MOD Single : A 47 TYR OH : rot -129:sc= -0.448 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -150:sc= -0.983 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.285 (180deg=0.224) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -13:sc= 0.384 USER MOD Single : A 73 ASN :FLIP amide:sc= -5.38! F(o=-6.7,f=-5.4!) USER MOD Single : A 80 GLN : amide:sc= 0.336 K(o=0.34,f=-0.68) USER MOD Single : A 84 THR OG1 : rot 14:sc= -0.68 USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= -1.4 (180deg=-1.81) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= 0.252 (180deg=-1.17) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -8.15! C(o=-8.1!,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ 151:sc= -0.432 (180deg=-2.71!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -157:sc= 1.17 (180deg=0.567) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.951 7.959 -19.628 1.00 13.00 N ATOM 2 CA GLY A 1 -12.309 9.311 -19.115 1.00 45.03 C ATOM 3 C GLY A 1 -11.160 9.975 -18.380 1.00 64.12 C ATOM 4 O GLY A 1 -9.997 9.649 -18.619 1.00 64.35 O ATOM 0 H1 GLY A 1 -12.196 7.894 -20.637 1.00 13.00 H new ATOM 0 H2 GLY A 1 -10.930 7.802 -19.509 1.00 13.00 H new ATOM 0 H3 GLY A 1 -12.477 7.236 -19.097 1.00 13.00 H new ATOM 0 HA2 GLY A 1 -12.617 9.943 -19.948 1.00 45.03 H new ATOM 0 HA3 GLY A 1 -13.165 9.227 -18.445 1.00 45.03 H new ATOM 10 N PRO A 2 -11.456 10.920 -17.471 1.00 60.03 N ATOM 11 CA PRO A 2 -10.426 11.627 -16.702 1.00 24.15 C ATOM 12 C PRO A 2 -9.461 10.670 -16.010 1.00 55.11 C ATOM 13 O PRO A 2 -9.876 9.665 -15.433 1.00 52.41 O ATOM 14 CB PRO A 2 -11.232 12.415 -15.667 1.00 40.02 C ATOM 15 CG PRO A 2 -12.571 12.602 -16.291 1.00 33.11 C ATOM 16 CD PRO A 2 -12.815 11.373 -17.122 1.00 23.32 C ATOM 0 HA PRO A 2 -9.800 12.252 -17.339 1.00 24.15 H new ATOM 0 HB2 PRO A 2 -11.307 11.871 -14.726 1.00 40.02 H new ATOM 0 HB3 PRO A 2 -10.762 13.373 -15.445 1.00 40.02 H new ATOM 0 HG2 PRO A 2 -13.343 12.719 -15.531 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -12.592 13.501 -16.907 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -13.361 10.612 -16.564 1.00 23.32 H new ATOM 0 HD3 PRO A 2 -13.404 11.600 -18.011 1.00 23.32 H new ATOM 24 N LEU A 3 -8.172 10.989 -16.071 1.00 20.11 N ATOM 25 CA LEU A 3 -7.148 10.156 -15.450 1.00 11.24 C ATOM 26 C LEU A 3 -5.994 11.008 -14.931 1.00 5.54 C ATOM 27 O LEU A 3 -5.449 11.841 -15.656 1.00 0.14 O ATOM 28 CB LEU A 3 -6.626 9.124 -16.451 1.00 61.22 C ATOM 29 CG LEU A 3 -5.813 7.982 -15.839 1.00 63.22 C ATOM 30 CD1 LEU A 3 -6.005 6.702 -16.638 1.00 13.12 C ATOM 31 CD2 LEU A 3 -4.340 8.354 -15.771 1.00 41.23 C ATOM 0 H LEU A 3 -7.812 11.818 -16.544 1.00 20.11 H new ATOM 0 HA LEU A 3 -7.600 9.637 -14.605 1.00 11.24 H new ATOM 0 HB2 LEU A 3 -7.474 8.699 -16.987 1.00 61.22 H new ATOM 0 HB3 LEU A 3 -6.007 9.636 -17.188 1.00 61.22 H new ATOM 0 HG LEU A 3 -6.171 7.809 -14.824 1.00 63.22 H new ATOM 0 HD11 LEU A 3 -5.419 5.901 -16.188 1.00 13.12 H new ATOM 0 HD12 LEU A 3 -7.059 6.426 -16.635 1.00 13.12 H new ATOM 0 HD13 LEU A 3 -5.674 6.861 -17.664 1.00 13.12 H new ATOM 0 HD21 LEU A 3 -3.777 7.530 -15.333 1.00 41.23 H new ATOM 0 HD22 LEU A 3 -3.968 8.554 -16.776 1.00 41.23 H new ATOM 0 HD23 LEU A 3 -4.218 9.245 -15.155 1.00 41.23 H new ATOM 43 N GLY A 4 -5.627 10.794 -13.672 1.00 20.42 N ATOM 44 CA GLY A 4 -4.539 11.550 -13.078 1.00 33.21 C ATOM 45 C GLY A 4 -5.014 12.829 -12.417 1.00 31.00 C ATOM 46 O GLY A 4 -6.048 13.382 -12.791 1.00 34.24 O ATOM 0 H GLY A 4 -6.063 10.111 -13.052 1.00 20.42 H new ATOM 0 HA2 GLY A 4 -4.031 10.930 -12.339 1.00 33.21 H new ATOM 0 HA3 GLY A 4 -3.807 11.793 -13.848 1.00 33.21 H new ATOM 50 N SER A 5 -4.257 13.299 -11.431 1.00 63.13 N ATOM 51 CA SER A 5 -4.607 14.521 -10.716 1.00 23.22 C ATOM 52 C SER A 5 -3.500 14.920 -9.745 1.00 1.31 C ATOM 53 O SER A 5 -2.737 15.850 -10.006 1.00 50.22 O ATOM 54 CB SER A 5 -5.924 14.335 -9.960 1.00 60.14 C ATOM 55 OG SER A 5 -6.130 12.974 -9.623 1.00 12.21 O ATOM 0 H SER A 5 -3.398 12.853 -11.109 1.00 63.13 H new ATOM 0 HA SER A 5 -4.727 15.319 -11.448 1.00 23.22 H new ATOM 0 HB2 SER A 5 -5.915 14.940 -9.053 1.00 60.14 H new ATOM 0 HB3 SER A 5 -6.752 14.691 -10.573 1.00 60.14 H new ATOM 0 HG SER A 5 -6.977 12.881 -9.139 1.00 12.21 H new ATOM 61 N GLU A 6 -3.418 14.210 -8.623 1.00 60.34 N ATOM 62 CA GLU A 6 -2.405 14.491 -7.613 1.00 54.22 C ATOM 63 C GLU A 6 -2.102 13.245 -6.786 1.00 72.21 C ATOM 64 O GLU A 6 -3.014 12.561 -6.321 1.00 23.43 O ATOM 65 CB GLU A 6 -2.869 15.624 -6.696 1.00 42.43 C ATOM 66 CG GLU A 6 -2.486 17.007 -7.196 1.00 23.43 C ATOM 67 CD GLU A 6 -0.985 17.204 -7.275 1.00 14.24 C ATOM 68 OE1 GLU A 6 -0.372 17.520 -6.234 1.00 63.03 O ATOM 69 OE2 GLU A 6 -0.422 17.041 -8.378 1.00 70.04 O ATOM 0 H GLU A 6 -4.041 13.436 -8.391 1.00 60.34 H new ATOM 0 HA GLU A 6 -1.493 14.797 -8.125 1.00 54.22 H new ATOM 0 HB2 GLU A 6 -3.953 15.573 -6.589 1.00 42.43 H new ATOM 0 HB3 GLU A 6 -2.443 15.475 -5.704 1.00 42.43 H new ATOM 0 HG2 GLU A 6 -2.922 17.166 -8.182 1.00 23.43 H new ATOM 0 HG3 GLU A 6 -2.913 17.760 -6.533 1.00 23.43 H new ATOM 76 N GLY A 7 -0.817 12.956 -6.607 1.00 53.15 N ATOM 77 CA GLY A 7 -0.419 11.793 -5.837 1.00 0.43 C ATOM 78 C GLY A 7 -0.906 10.495 -6.459 1.00 11.11 C ATOM 79 O GLY A 7 -2.111 10.256 -6.528 1.00 32.00 O ATOM 0 H GLY A 7 -0.045 13.507 -6.982 1.00 53.15 H new ATOM 0 HA2 GLY A 7 0.668 11.769 -5.755 1.00 0.43 H new ATOM 0 HA3 GLY A 7 -0.813 11.878 -4.824 1.00 0.43 H new ATOM 83 N PRO A 8 0.010 9.627 -6.927 1.00 14.24 N ATOM 84 CA PRO A 8 -0.363 8.352 -7.544 1.00 15.51 C ATOM 85 C PRO A 8 -0.901 7.352 -6.527 1.00 72.52 C ATOM 86 O PRO A 8 -2.038 6.893 -6.636 1.00 41.40 O ATOM 87 CB PRO A 8 0.947 7.848 -8.149 1.00 3.35 C ATOM 88 CG PRO A 8 2.020 8.492 -7.343 1.00 63.20 C ATOM 89 CD PRO A 8 1.473 9.820 -6.892 1.00 34.42 C ATOM 0 HA PRO A 8 -1.163 8.474 -8.274 1.00 15.51 H new ATOM 0 HB2 PRO A 8 1.013 6.761 -8.096 1.00 3.35 H new ATOM 0 HB3 PRO A 8 1.026 8.122 -9.201 1.00 3.35 H new ATOM 0 HG2 PRO A 8 2.289 7.872 -6.488 1.00 63.20 H new ATOM 0 HG3 PRO A 8 2.924 8.626 -7.936 1.00 63.20 H new ATOM 0 HD2 PRO A 8 1.819 10.076 -5.891 1.00 34.42 H new ATOM 0 HD3 PRO A 8 1.786 10.627 -7.554 1.00 34.42 H new ATOM 97 N VAL A 9 -0.080 7.024 -5.535 1.00 44.12 N ATOM 98 CA VAL A 9 -0.476 6.085 -4.497 1.00 62.33 C ATOM 99 C VAL A 9 -1.686 6.618 -3.737 1.00 22.23 C ATOM 100 O VAL A 9 -1.718 7.781 -3.334 1.00 54.03 O ATOM 101 CB VAL A 9 0.689 5.810 -3.519 1.00 64.01 C ATOM 102 CG1 VAL A 9 1.356 7.110 -3.101 1.00 13.52 C ATOM 103 CG2 VAL A 9 0.221 5.020 -2.300 1.00 42.03 C ATOM 0 H VAL A 9 0.864 7.396 -5.430 1.00 44.12 H new ATOM 0 HA VAL A 9 -0.744 5.144 -4.978 1.00 62.33 H new ATOM 0 HB VAL A 9 1.425 5.199 -4.042 1.00 64.01 H new ATOM 0 HG11 VAL A 9 2.173 6.895 -2.413 1.00 13.52 H new ATOM 0 HG12 VAL A 9 1.748 7.618 -3.982 1.00 13.52 H new ATOM 0 HG13 VAL A 9 0.626 7.751 -2.608 1.00 13.52 H new ATOM 0 HG21 VAL A 9 1.066 4.845 -1.634 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -0.546 5.586 -1.772 1.00 42.03 H new ATOM 0 HG23 VAL A 9 -0.191 4.064 -2.622 1.00 42.03 H new ATOM 113 N THR A 10 -2.684 5.762 -3.559 1.00 5.01 N ATOM 114 CA THR A 10 -3.904 6.147 -2.864 1.00 75.12 C ATOM 115 C THR A 10 -3.715 6.142 -1.351 1.00 31.32 C ATOM 116 O THR A 10 -3.871 5.110 -0.697 1.00 72.42 O ATOM 117 CB THR A 10 -5.048 5.207 -3.247 1.00 63.14 C ATOM 118 OG1 THR A 10 -5.077 4.997 -4.647 1.00 31.52 O ATOM 119 CG2 THR A 10 -6.409 5.723 -2.832 1.00 13.33 C ATOM 0 H THR A 10 -2.672 4.796 -3.887 1.00 5.01 H new ATOM 0 HA THR A 10 -4.151 7.164 -3.169 1.00 75.12 H new ATOM 0 HB THR A 10 -4.850 4.278 -2.713 1.00 63.14 H new ATOM 0 HG1 THR A 10 -5.814 4.392 -4.872 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.176 5.009 -3.133 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.436 5.849 -1.750 1.00 13.33 H new ATOM 0 HG23 THR A 10 -6.597 6.682 -3.314 1.00 13.33 H new ATOM 127 N VAL A 11 -3.398 7.308 -0.796 1.00 71.41 N ATOM 128 CA VAL A 11 -3.218 7.437 0.643 1.00 3.10 C ATOM 129 C VAL A 11 -4.571 7.356 1.335 1.00 13.32 C ATOM 130 O VAL A 11 -5.232 8.371 1.552 1.00 52.32 O ATOM 131 CB VAL A 11 -2.534 8.767 1.013 1.00 61.10 C ATOM 132 CG1 VAL A 11 -2.220 8.811 2.501 1.00 2.44 C ATOM 133 CG2 VAL A 11 -1.272 8.965 0.188 1.00 12.43 C ATOM 0 H VAL A 11 -3.261 8.173 -1.320 1.00 71.41 H new ATOM 0 HA VAL A 11 -2.575 6.622 0.975 1.00 3.10 H new ATOM 0 HB VAL A 11 -3.220 9.583 0.787 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -1.737 9.758 2.743 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -3.145 8.719 3.071 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -1.553 7.988 2.757 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -0.802 9.909 0.463 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -0.579 8.146 0.380 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -1.529 8.982 -0.871 1.00 12.43 H new ATOM 143 N VAL A 12 -4.989 6.138 1.657 1.00 12.21 N ATOM 144 CA VAL A 12 -6.277 5.918 2.296 1.00 51.53 C ATOM 145 C VAL A 12 -6.164 5.958 3.811 1.00 64.22 C ATOM 146 O VAL A 12 -5.484 5.132 4.416 1.00 52.11 O ATOM 147 CB VAL A 12 -6.884 4.567 1.877 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.334 4.483 2.318 1.00 64.02 C ATOM 149 CG2 VAL A 12 -6.766 4.365 0.372 1.00 65.23 C ATOM 0 H VAL A 12 -4.453 5.288 1.485 1.00 12.21 H new ATOM 0 HA VAL A 12 -6.930 6.726 1.967 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.326 3.770 2.368 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -8.751 3.523 2.015 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.391 4.578 3.402 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -8.903 5.288 1.853 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.201 3.404 0.099 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -7.297 5.164 -0.145 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -5.715 4.382 0.084 1.00 65.23 H new ATOM 159 N VAL A 13 -6.848 6.916 4.422 1.00 73.01 N ATOM 160 CA VAL A 13 -6.830 7.048 5.869 1.00 12.41 C ATOM 161 C VAL A 13 -7.608 5.909 6.512 1.00 65.31 C ATOM 162 O VAL A 13 -8.404 5.242 5.852 1.00 22.01 O ATOM 163 CB VAL A 13 -7.432 8.391 6.324 1.00 70.44 C ATOM 164 CG1 VAL A 13 -6.462 9.530 6.053 1.00 61.55 C ATOM 165 CG2 VAL A 13 -8.765 8.641 5.636 1.00 24.13 C ATOM 0 H VAL A 13 -7.419 7.609 3.939 1.00 73.01 H new ATOM 0 HA VAL A 13 -5.788 7.011 6.186 1.00 12.41 H new ATOM 0 HB VAL A 13 -7.609 8.343 7.398 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -6.905 10.471 6.381 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -5.535 9.356 6.599 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -6.251 9.581 4.985 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -9.174 9.594 5.971 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -8.618 8.668 4.556 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -9.460 7.840 5.887 1.00 24.13 H new ATOM 175 N ALA A 14 -7.385 5.692 7.803 1.00 50.31 N ATOM 176 CA ALA A 14 -8.080 4.634 8.525 1.00 20.23 C ATOM 177 C ALA A 14 -9.590 4.737 8.320 1.00 61.22 C ATOM 178 O ALA A 14 -10.317 3.756 8.471 1.00 75.33 O ATOM 179 CB ALA A 14 -7.738 4.691 10.005 1.00 3.45 C ATOM 0 H ALA A 14 -6.731 6.232 8.369 1.00 50.31 H new ATOM 0 HA ALA A 14 -7.749 3.674 8.128 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.265 3.895 10.531 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -6.663 4.563 10.135 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.040 5.656 10.411 1.00 3.45 H new ATOM 185 N LYS A 15 -10.050 5.937 7.974 1.00 73.33 N ATOM 186 CA LYS A 15 -11.465 6.181 7.745 1.00 2.31 C ATOM 187 C LYS A 15 -11.959 5.439 6.503 1.00 0.43 C ATOM 188 O LYS A 15 -13.067 4.902 6.496 1.00 73.50 O ATOM 189 CB LYS A 15 -11.711 7.690 7.606 1.00 53.11 C ATOM 190 CG LYS A 15 -12.986 8.051 6.860 1.00 42.31 C ATOM 191 CD LYS A 15 -14.221 7.556 7.594 1.00 3.33 C ATOM 192 CE LYS A 15 -15.498 8.002 6.900 1.00 2.15 C ATOM 193 NZ LYS A 15 -15.845 9.413 7.227 1.00 24.30 N ATOM 0 H LYS A 15 -9.457 6.757 7.846 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.026 5.803 8.599 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -11.749 8.133 8.601 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -10.862 8.138 7.089 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -13.043 9.133 6.738 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -12.958 7.618 5.860 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -14.199 6.468 7.653 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -14.212 7.931 8.617 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -15.380 7.898 5.821 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -16.319 7.349 7.196 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -16.722 9.678 6.734 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -15.983 9.508 8.253 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -15.073 10.040 6.922 1.00 24.30 H new ATOM 207 N ASN A 16 -11.144 5.416 5.449 1.00 62.45 N ATOM 208 CA ASN A 16 -11.534 4.741 4.212 1.00 24.10 C ATOM 209 C ASN A 16 -10.695 3.498 3.940 1.00 13.24 C ATOM 210 O ASN A 16 -10.986 2.747 3.013 1.00 70.35 O ATOM 211 CB ASN A 16 -11.453 5.675 3.004 1.00 75.23 C ATOM 212 CG ASN A 16 -11.243 7.120 3.370 1.00 52.33 C ATOM 213 OD1 ASN A 16 -10.042 7.594 3.127 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -12.148 7.798 3.856 1.00 72.22 N flip ATOM 0 H ASN A 16 -10.222 5.851 5.426 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.570 4.435 4.358 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -10.637 5.350 2.359 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -12.372 5.586 2.425 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -13.063 7.381 4.025 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -11.983 8.777 4.090 1.00 72.22 H new ATOM 221 N TYR A 17 -9.657 3.277 4.734 1.00 73.13 N ATOM 222 CA TYR A 17 -8.803 2.123 4.553 1.00 31.51 C ATOM 223 C TYR A 17 -9.596 0.812 4.609 1.00 30.21 C ATOM 224 O TYR A 17 -9.083 -0.242 4.236 1.00 22.14 O ATOM 225 CB TYR A 17 -7.709 2.129 5.613 1.00 10.24 C ATOM 226 CG TYR A 17 -7.560 0.809 6.336 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.787 -0.210 5.805 1.00 41.43 C ATOM 228 CD2 TYR A 17 -8.221 0.577 7.534 1.00 60.52 C ATOM 229 CE1 TYR A 17 -6.671 -1.426 6.445 1.00 53.20 C ATOM 230 CE2 TYR A 17 -8.112 -0.638 8.183 1.00 61.12 C ATOM 231 CZ TYR A 17 -7.338 -1.636 7.634 1.00 1.23 C ATOM 232 OH TYR A 17 -7.231 -2.847 8.277 1.00 64.43 O ATOM 0 H TYR A 17 -9.390 3.885 5.509 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.353 2.185 3.562 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.760 2.385 5.142 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -7.925 2.911 6.342 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.266 -0.049 4.873 1.00 41.43 H new ATOM 0 HD2 TYR A 17 -8.830 1.358 7.966 1.00 60.52 H new ATOM 0 HE1 TYR A 17 -6.062 -2.209 6.018 1.00 53.20 H new ATOM 0 HE2 TYR A 17 -8.631 -0.804 9.116 1.00 61.12 H new ATOM 0 HH TYR A 17 -7.762 -2.828 9.101 1.00 64.43 H new ATOM 242 N ASN A 18 -10.847 0.877 5.047 1.00 10.22 N ATOM 243 CA ASN A 18 -11.684 -0.309 5.110 1.00 34.50 C ATOM 244 C ASN A 18 -12.537 -0.365 3.858 1.00 51.55 C ATOM 245 O ASN A 18 -13.279 -1.318 3.620 1.00 73.34 O ATOM 246 CB ASN A 18 -12.584 -0.270 6.347 1.00 33.25 C ATOM 247 CG ASN A 18 -11.796 -0.269 7.640 1.00 43.31 C ATOM 248 OD1 ASN A 18 -10.960 -1.281 7.817 1.00 72.43 O flip ATOM 249 ND2 ASN A 18 -11.937 0.630 8.468 1.00 21.11 N flip ATOM 0 H ASN A 18 -11.300 1.735 5.362 1.00 10.22 H new ATOM 0 HA ASN A 18 -11.052 -1.194 5.177 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -13.211 0.620 6.307 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -13.252 -1.131 6.333 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -12.593 1.390 8.289 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -11.398 0.615 9.334 1.00 21.11 H new ATOM 256 N GLU A 19 -12.436 0.705 3.084 1.00 74.43 N ATOM 257 CA GLU A 19 -13.188 0.869 1.872 1.00 71.35 C ATOM 258 C GLU A 19 -12.287 0.835 0.637 1.00 43.22 C ATOM 259 O GLU A 19 -12.736 0.498 -0.459 1.00 73.12 O ATOM 260 CB GLU A 19 -13.897 2.210 1.971 1.00 22.30 C ATOM 261 CG GLU A 19 -15.379 2.133 1.701 1.00 32.11 C ATOM 262 CD GLU A 19 -15.781 2.815 0.408 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.146 2.538 -0.632 1.00 3.41 O ATOM 264 OE2 GLU A 19 -16.730 3.626 0.434 1.00 13.41 O ATOM 0 H GLU A 19 -11.818 1.489 3.293 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.898 0.050 1.760 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -13.739 2.622 2.968 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -13.443 2.904 1.264 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.682 1.087 1.663 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -15.918 2.591 2.530 1.00 32.11 H new ATOM 271 N ILE A 20 -11.024 1.212 0.816 1.00 42.00 N ATOM 272 CA ILE A 20 -10.073 1.252 -0.292 1.00 52.51 C ATOM 273 C ILE A 20 -8.963 0.215 -0.149 1.00 35.23 C ATOM 274 O ILE A 20 -8.580 -0.435 -1.122 1.00 61.03 O ATOM 275 CB ILE A 20 -9.402 2.632 -0.403 1.00 24.15 C ATOM 276 CG1 ILE A 20 -10.372 3.755 -0.020 1.00 54.14 C ATOM 277 CG2 ILE A 20 -8.858 2.836 -1.806 1.00 31.52 C ATOM 278 CD1 ILE A 20 -11.494 3.963 -1.012 1.00 65.13 C ATOM 0 H ILE A 20 -10.635 1.494 1.716 1.00 42.00 H new ATOM 0 HA ILE A 20 -10.660 1.035 -1.185 1.00 52.51 H new ATOM 0 HB ILE A 20 -8.571 2.667 0.301 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -10.801 3.533 0.957 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -9.813 4.685 0.081 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -8.385 3.816 -1.874 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.123 2.062 -2.027 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -9.675 2.777 -2.525 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -12.137 4.774 -0.670 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -11.076 4.217 -1.986 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.079 3.047 -1.096 1.00 65.13 H new ATOM 290 N VAL A 21 -8.440 0.077 1.062 1.00 13.15 N ATOM 291 CA VAL A 21 -7.362 -0.864 1.328 1.00 74.31 C ATOM 292 C VAL A 21 -7.919 -2.226 1.685 1.00 32.11 C ATOM 293 O VAL A 21 -7.221 -3.238 1.629 1.00 30.43 O ATOM 294 CB VAL A 21 -6.491 -0.368 2.494 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.472 -1.420 2.910 1.00 12.14 C ATOM 296 CG2 VAL A 21 -5.805 0.938 2.133 1.00 4.12 C ATOM 0 H VAL A 21 -8.747 0.607 1.878 1.00 13.15 H new ATOM 0 HA VAL A 21 -6.758 -0.942 0.424 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.145 -0.187 3.347 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.872 -1.039 3.736 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.991 -2.325 3.226 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.822 -1.651 2.066 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.194 1.272 2.971 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.171 0.787 1.259 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -6.557 1.694 1.909 1.00 4.12 H new ATOM 306 N LEU A 22 -9.176 -2.231 2.073 1.00 62.02 N ATOM 307 CA LEU A 22 -9.845 -3.446 2.470 1.00 15.22 C ATOM 308 C LEU A 22 -10.823 -3.909 1.397 1.00 41.35 C ATOM 309 O LEU A 22 -11.719 -4.713 1.657 1.00 65.21 O ATOM 310 CB LEU A 22 -10.552 -3.184 3.784 1.00 73.24 C ATOM 311 CG LEU A 22 -10.599 -4.372 4.740 1.00 62.35 C ATOM 312 CD1 LEU A 22 -9.551 -4.216 5.828 1.00 60.20 C ATOM 313 CD2 LEU A 22 -11.988 -4.523 5.336 1.00 13.10 C ATOM 0 H LEU A 22 -9.759 -1.395 2.121 1.00 62.02 H new ATOM 0 HA LEU A 22 -9.118 -4.248 2.596 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -10.057 -2.353 4.286 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.573 -2.867 3.573 1.00 73.24 H new ATOM 0 HG LEU A 22 -10.374 -5.280 4.180 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -9.597 -5.071 6.502 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -8.561 -4.164 5.375 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -9.742 -3.301 6.389 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -12.002 -5.375 6.015 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -12.249 -3.618 5.884 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -12.711 -4.684 4.537 1.00 13.10 H new ATOM 325 N ASP A 23 -10.630 -3.397 0.188 1.00 73.33 N ATOM 326 CA ASP A 23 -11.477 -3.751 -0.946 1.00 10.24 C ATOM 327 C ASP A 23 -10.936 -4.992 -1.653 1.00 65.21 C ATOM 328 O ASP A 23 -9.747 -5.076 -1.957 1.00 42.23 O ATOM 329 CB ASP A 23 -11.562 -2.583 -1.930 1.00 34.23 C ATOM 330 CG ASP A 23 -12.935 -2.456 -2.561 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.899 -3.026 -2.006 1.00 43.53 O ATOM 332 OD2 ASP A 23 -13.047 -1.786 -3.609 1.00 23.33 O ATOM 0 H ASP A 23 -9.890 -2.731 -0.034 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.477 -3.971 -0.572 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.317 -1.656 -1.411 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.816 -2.717 -2.714 1.00 34.23 H new ATOM 337 N ASP A 24 -11.816 -5.956 -1.907 1.00 43.30 N ATOM 338 CA ASP A 24 -11.426 -7.199 -2.568 1.00 4.41 C ATOM 339 C ASP A 24 -11.395 -7.048 -4.089 1.00 13.13 C ATOM 340 O ASP A 24 -11.211 -8.029 -4.810 1.00 73.32 O ATOM 341 CB ASP A 24 -12.386 -8.324 -2.181 1.00 72.31 C ATOM 342 CG ASP A 24 -13.838 -7.948 -2.404 1.00 44.42 C ATOM 343 OD1 ASP A 24 -14.332 -8.135 -3.536 1.00 54.41 O ATOM 344 OD2 ASP A 24 -14.481 -7.467 -1.448 1.00 4.20 O ATOM 0 H ASP A 24 -12.805 -5.901 -1.665 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.418 -7.445 -2.235 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.151 -9.215 -2.763 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.237 -8.580 -1.132 1.00 72.31 H new ATOM 349 N THR A 25 -11.569 -5.824 -4.576 1.00 53.34 N ATOM 350 CA THR A 25 -11.552 -5.569 -6.009 1.00 13.33 C ATOM 351 C THR A 25 -10.151 -5.773 -6.574 1.00 21.11 C ATOM 352 O THR A 25 -9.984 -6.073 -7.756 1.00 50.55 O ATOM 353 CB THR A 25 -12.032 -4.146 -6.303 1.00 15.52 C ATOM 354 OG1 THR A 25 -11.234 -3.196 -5.619 1.00 52.32 O ATOM 355 CG2 THR A 25 -13.473 -3.907 -5.907 1.00 12.41 C ATOM 0 H THR A 25 -11.723 -4.996 -4.000 1.00 53.34 H new ATOM 0 HA THR A 25 -12.228 -6.276 -6.489 1.00 13.33 H new ATOM 0 HB THR A 25 -11.945 -4.029 -7.383 1.00 15.52 H new ATOM 0 HG1 THR A 25 -11.784 -2.719 -4.963 1.00 52.32 H new ATOM 0 HG21 THR A 25 -13.749 -2.879 -6.142 1.00 12.41 H new ATOM 0 HG22 THR A 25 -14.120 -4.591 -6.456 1.00 12.41 H new ATOM 0 HG23 THR A 25 -13.589 -4.078 -4.837 1.00 12.41 H new ATOM 363 N LYS A 26 -9.144 -5.609 -5.720 1.00 64.34 N ATOM 364 CA LYS A 26 -7.756 -5.776 -6.135 1.00 52.34 C ATOM 365 C LYS A 26 -6.829 -5.862 -4.927 1.00 41.14 C ATOM 366 O LYS A 26 -7.239 -5.589 -3.799 1.00 70.12 O ATOM 367 CB LYS A 26 -7.332 -4.616 -7.036 1.00 43.41 C ATOM 368 CG LYS A 26 -7.804 -3.257 -6.543 1.00 45.11 C ATOM 369 CD LYS A 26 -8.901 -2.691 -7.431 1.00 24.03 C ATOM 370 CE LYS A 26 -9.247 -1.260 -7.049 1.00 22.42 C ATOM 371 NZ LYS A 26 -8.762 -0.283 -8.063 1.00 4.32 N ATOM 0 H LYS A 26 -9.264 -5.361 -4.738 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.680 -6.710 -6.692 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -6.245 -4.607 -7.115 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -7.723 -4.785 -8.039 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -8.172 -3.348 -5.521 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -6.962 -2.565 -6.518 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -8.580 -2.723 -8.472 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -9.791 -3.315 -7.353 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -10.327 -1.164 -6.940 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -8.807 -1.026 -6.080 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -8.911 0.685 -7.712 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -7.748 -0.437 -8.236 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -9.288 -0.414 -8.951 1.00 4.32 H new ATOM 385 N ASP A 27 -5.573 -6.231 -5.170 1.00 24.42 N ATOM 386 CA ASP A 27 -4.591 -6.336 -4.101 1.00 22.11 C ATOM 387 C ASP A 27 -4.135 -4.947 -3.680 1.00 12.42 C ATOM 388 O ASP A 27 -3.610 -4.185 -4.490 1.00 4.03 O ATOM 389 CB ASP A 27 -3.391 -7.169 -4.557 1.00 1.12 C ATOM 390 CG ASP A 27 -3.752 -8.623 -4.791 1.00 23.20 C ATOM 391 OD1 ASP A 27 -4.957 -8.922 -4.923 1.00 61.20 O ATOM 392 OD2 ASP A 27 -2.829 -9.463 -4.840 1.00 44.20 O ATOM 0 H ASP A 27 -5.215 -6.461 -6.097 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.053 -6.833 -3.248 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -2.986 -6.745 -5.476 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.604 -7.109 -3.805 1.00 1.12 H new ATOM 397 N VAL A 28 -4.357 -4.609 -2.418 1.00 13.21 N ATOM 398 CA VAL A 28 -3.981 -3.295 -1.916 1.00 73.13 C ATOM 399 C VAL A 28 -2.819 -3.370 -0.932 1.00 22.42 C ATOM 400 O VAL A 28 -2.859 -4.118 0.045 1.00 22.43 O ATOM 401 CB VAL A 28 -5.171 -2.594 -1.235 1.00 31.52 C ATOM 402 CG1 VAL A 28 -4.888 -1.111 -1.067 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.451 -2.812 -2.029 1.00 74.34 C ATOM 0 H VAL A 28 -4.792 -5.221 -1.727 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.667 -2.715 -2.784 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.308 -3.032 -0.246 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -5.739 -0.631 -0.584 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -3.999 -0.978 -0.451 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -4.723 -0.659 -2.045 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.279 -2.308 -1.530 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.330 -2.405 -3.033 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.662 -3.879 -2.094 1.00 74.34 H new ATOM 413 N LEU A 29 -1.793 -2.573 -1.199 1.00 22.35 N ATOM 414 CA LEU A 29 -0.610 -2.512 -0.350 1.00 32.45 C ATOM 415 C LEU A 29 -0.673 -1.279 0.535 1.00 41.43 C ATOM 416 O LEU A 29 -0.411 -0.172 0.074 1.00 13.44 O ATOM 417 CB LEU A 29 0.648 -2.452 -1.218 1.00 2.32 C ATOM 418 CG LEU A 29 1.925 -2.982 -0.564 1.00 24.12 C ATOM 419 CD1 LEU A 29 2.342 -2.084 0.588 1.00 50.44 C ATOM 420 CD2 LEU A 29 1.733 -4.413 -0.086 1.00 4.34 C ATOM 0 H LEU A 29 -1.757 -1.952 -2.008 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.576 -3.404 0.276 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.466 -3.019 -2.131 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.815 -1.416 -1.514 1.00 2.32 H new ATOM 0 HG LEU A 29 2.719 -2.978 -1.310 1.00 24.12 H new ATOM 0 HD11 LEU A 29 3.252 -2.475 1.043 1.00 50.44 H new ATOM 0 HD12 LEU A 29 2.526 -1.076 0.216 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.547 -2.056 1.333 1.00 50.44 H new ATOM 0 HD21 LEU A 29 2.654 -4.769 0.376 1.00 4.34 H new ATOM 0 HD22 LEU A 29 0.924 -4.447 0.644 1.00 4.34 H new ATOM 0 HD23 LEU A 29 1.483 -5.050 -0.935 1.00 4.34 H new ATOM 432 N ILE A 30 -1.024 -1.463 1.803 1.00 72.20 N ATOM 433 CA ILE A 30 -1.115 -0.323 2.715 1.00 41.13 C ATOM 434 C ILE A 30 0.170 -0.154 3.517 1.00 41.14 C ATOM 435 O ILE A 30 0.652 -1.096 4.146 1.00 2.42 O ATOM 436 CB ILE A 30 -2.325 -0.438 3.670 1.00 12.14 C ATOM 437 CG1 ILE A 30 -2.872 0.963 4.005 1.00 44.24 C ATOM 438 CG2 ILE A 30 -1.949 -1.201 4.938 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.761 1.005 5.224 1.00 63.54 C ATOM 0 H ILE A 30 -1.246 -2.368 2.218 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.261 0.562 2.095 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.111 -1.002 3.168 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.033 1.641 4.158 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.432 1.337 3.148 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.817 -1.268 5.593 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.616 -2.204 4.673 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.145 -0.676 5.454 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.103 2.027 5.390 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.622 0.355 5.069 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.201 0.664 6.095 1.00 63.54 H new ATOM 451 N GLU A 31 0.726 1.051 3.483 1.00 61.25 N ATOM 452 CA GLU A 31 1.961 1.335 4.203 1.00 30.23 C ATOM 453 C GLU A 31 1.743 2.352 5.322 1.00 70.24 C ATOM 454 O GLU A 31 1.902 3.555 5.118 1.00 52.11 O ATOM 455 CB GLU A 31 3.034 1.844 3.236 1.00 53.44 C ATOM 456 CG GLU A 31 4.328 2.262 3.919 1.00 31.40 C ATOM 457 CD GLU A 31 4.697 3.706 3.638 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.476 4.164 2.497 1.00 42.43 O ATOM 459 OE2 GLU A 31 5.208 4.379 4.558 1.00 41.43 O ATOM 0 H GLU A 31 0.344 1.844 2.967 1.00 61.25 H new ATOM 0 HA GLU A 31 2.297 0.403 4.659 1.00 30.23 H new ATOM 0 HB2 GLU A 31 3.254 1.063 2.508 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.636 2.694 2.681 1.00 53.44 H new ATOM 0 HG2 GLU A 31 4.229 2.119 4.995 1.00 31.40 H new ATOM 0 HG3 GLU A 31 5.137 1.613 3.585 1.00 31.40 H new ATOM 466 N PHE A 32 1.412 1.860 6.514 1.00 61.02 N ATOM 467 CA PHE A 32 1.210 2.726 7.670 1.00 65.22 C ATOM 468 C PHE A 32 2.426 3.612 7.863 1.00 74.45 C ATOM 469 O PHE A 32 3.556 3.132 7.774 1.00 1.24 O ATOM 470 CB PHE A 32 1.001 1.894 8.932 1.00 73.53 C ATOM 471 CG PHE A 32 -0.126 0.905 8.826 1.00 44.52 C ATOM 472 CD1 PHE A 32 -1.418 1.269 9.171 1.00 75.21 C ATOM 473 CD2 PHE A 32 0.107 -0.387 8.383 1.00 34.11 C ATOM 474 CE1 PHE A 32 -2.457 0.363 9.075 1.00 33.35 C ATOM 475 CE2 PHE A 32 -0.928 -1.297 8.285 1.00 23.20 C ATOM 476 CZ PHE A 32 -2.211 -0.922 8.632 1.00 52.32 C ATOM 0 H PHE A 32 1.278 0.867 6.703 1.00 61.02 H new ATOM 0 HA PHE A 32 0.325 3.337 7.492 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.922 1.358 9.159 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.807 2.564 9.770 1.00 73.53 H new ATOM 0 HD1 PHE A 32 -1.615 2.272 9.519 1.00 75.21 H new ATOM 0 HD2 PHE A 32 1.109 -0.686 8.111 1.00 34.11 H new ATOM 0 HE1 PHE A 32 -3.460 0.659 9.346 1.00 33.35 H new ATOM 0 HE2 PHE A 32 -0.734 -2.301 7.937 1.00 23.20 H new ATOM 0 HZ PHE A 32 -3.021 -1.632 8.557 1.00 52.32 H new ATOM 486 N TYR A 33 2.197 4.897 8.116 1.00 41.11 N ATOM 487 CA TYR A 33 3.296 5.835 8.304 1.00 65.10 C ATOM 488 C TYR A 33 2.898 7.011 9.186 1.00 0.14 C ATOM 489 O TYR A 33 1.845 7.012 9.823 1.00 21.44 O ATOM 490 CB TYR A 33 3.763 6.366 6.948 1.00 55.23 C ATOM 491 CG TYR A 33 2.734 7.239 6.260 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.545 6.700 5.785 1.00 44.32 C ATOM 493 CD2 TYR A 33 2.949 8.603 6.094 1.00 40.24 C ATOM 494 CE1 TYR A 33 0.599 7.495 5.164 1.00 24.31 C ATOM 495 CE2 TYR A 33 2.008 9.403 5.473 1.00 61.35 C ATOM 496 CZ TYR A 33 0.836 8.844 5.011 1.00 73.12 C ATOM 497 OH TYR A 33 -0.104 9.638 4.393 1.00 23.25 O ATOM 0 H TYR A 33 1.267 5.309 8.195 1.00 41.11 H new ATOM 0 HA TYR A 33 4.103 5.295 8.800 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.681 6.938 7.086 1.00 55.23 H new ATOM 0 HB3 TYR A 33 4.007 5.524 6.300 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.356 5.643 5.903 1.00 44.32 H new ATOM 0 HD2 TYR A 33 3.866 9.044 6.456 1.00 40.24 H new ATOM 0 HE1 TYR A 33 -0.321 7.061 4.801 1.00 24.31 H new ATOM 0 HE2 TYR A 33 2.190 10.460 5.351 1.00 61.35 H new ATOM 0 HH TYR A 33 0.216 10.564 4.366 1.00 23.25 H new ATOM 507 N ALA A 34 3.763 8.017 9.190 1.00 72.21 N ATOM 508 CA ALA A 34 3.554 9.234 9.953 1.00 21.32 C ATOM 509 C ALA A 34 4.094 10.425 9.167 1.00 43.41 C ATOM 510 O ALA A 34 4.649 10.255 8.083 1.00 1.30 O ATOM 511 CB ALA A 34 4.236 9.130 11.309 1.00 75.21 C ATOM 0 H ALA A 34 4.634 8.008 8.659 1.00 72.21 H new ATOM 0 HA ALA A 34 2.487 9.376 10.122 1.00 21.32 H new ATOM 0 HB1 ALA A 34 4.071 10.050 11.871 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.820 8.288 11.862 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.306 8.978 11.167 1.00 75.21 H new ATOM 517 N PRO A 35 3.957 11.646 9.697 1.00 54.30 N ATOM 518 CA PRO A 35 4.446 12.845 9.038 1.00 5.43 C ATOM 519 C PRO A 35 5.867 13.166 9.465 1.00 35.33 C ATOM 520 O PRO A 35 6.587 13.914 8.803 1.00 62.40 O ATOM 521 CB PRO A 35 3.482 13.902 9.554 1.00 42.25 C ATOM 522 CG PRO A 35 3.150 13.466 10.945 1.00 35.10 C ATOM 523 CD PRO A 35 3.332 11.965 10.991 1.00 41.21 C ATOM 0 HA PRO A 35 4.481 12.763 7.952 1.00 5.43 H new ATOM 0 HB2 PRO A 35 3.939 14.892 9.548 1.00 42.25 H new ATOM 0 HB3 PRO A 35 2.588 13.960 8.933 1.00 42.25 H new ATOM 0 HG2 PRO A 35 3.801 13.956 11.669 1.00 35.10 H new ATOM 0 HG3 PRO A 35 2.126 13.739 11.201 1.00 35.10 H new ATOM 0 HD2 PRO A 35 3.965 11.664 11.826 1.00 41.21 H new ATOM 0 HD3 PRO A 35 2.379 11.450 11.112 1.00 41.21 H new ATOM 531 N TRP A 36 6.249 12.585 10.591 1.00 31.21 N ATOM 532 CA TRP A 36 7.580 12.782 11.159 1.00 75.21 C ATOM 533 C TRP A 36 8.420 11.514 11.067 1.00 62.33 C ATOM 534 O TRP A 36 9.499 11.425 11.654 1.00 1.45 O ATOM 535 CB TRP A 36 7.455 13.211 12.614 1.00 52.43 C ATOM 536 CG TRP A 36 6.608 12.291 13.443 1.00 41.11 C ATOM 537 CD1 TRP A 36 6.270 10.998 13.158 1.00 21.41 C ATOM 538 CD2 TRP A 36 5.987 12.598 14.697 1.00 13.21 C ATOM 539 NE1 TRP A 36 5.474 10.486 14.152 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.288 11.448 15.110 1.00 14.12 C ATOM 541 CE3 TRP A 36 5.953 13.735 15.510 1.00 31.24 C ATOM 542 CZ2 TRP A 36 4.565 11.403 16.300 1.00 12.14 C ATOM 543 CZ3 TRP A 36 5.236 13.688 16.691 1.00 62.31 C ATOM 544 CH2 TRP A 36 4.551 12.529 17.076 1.00 0.12 C ATOM 0 H TRP A 36 5.651 11.966 11.138 1.00 31.21 H new ATOM 0 HA TRP A 36 8.082 13.560 10.584 1.00 75.21 H new ATOM 0 HB2 TRP A 36 8.451 13.269 13.054 1.00 52.43 H new ATOM 0 HB3 TRP A 36 7.031 14.214 12.653 1.00 52.43 H new ATOM 0 HD1 TRP A 36 6.584 10.457 12.278 1.00 21.41 H new ATOM 0 HE1 TRP A 36 5.085 9.544 14.174 1.00 33.33 H new ATOM 0 HE3 TRP A 36 6.477 14.634 15.221 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 4.035 10.511 16.599 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 5.204 14.560 17.327 1.00 62.31 H new ATOM 0 HH2 TRP A 36 4.000 12.524 18.005 1.00 0.12 H new ATOM 555 N CYS A 37 7.914 10.537 10.334 1.00 12.21 N ATOM 556 CA CYS A 37 8.608 9.266 10.165 1.00 73.34 C ATOM 557 C CYS A 37 9.617 9.340 9.026 1.00 74.40 C ATOM 558 O CYS A 37 9.257 9.212 7.856 1.00 21.03 O ATOM 559 CB CYS A 37 7.602 8.144 9.900 1.00 61.20 C ATOM 560 SG CYS A 37 7.975 6.600 10.765 1.00 11.22 S ATOM 0 H CYS A 37 7.022 10.598 9.844 1.00 12.21 H new ATOM 0 HA CYS A 37 9.148 9.052 11.087 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.609 8.483 10.196 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.566 7.948 8.828 1.00 61.20 H new ATOM 0 HG CYS A 37 6.868 5.970 11.025 1.00 11.22 H new ATOM 566 N GLY A 38 10.884 9.541 9.375 1.00 73.01 N ATOM 567 CA GLY A 38 11.926 9.623 8.369 1.00 54.25 C ATOM 568 C GLY A 38 11.945 8.413 7.455 1.00 23.12 C ATOM 569 O GLY A 38 12.425 8.487 6.324 1.00 65.32 O ATOM 0 H GLY A 38 11.207 9.648 10.336 1.00 73.01 H new ATOM 0 HA2 GLY A 38 11.781 10.523 7.772 1.00 54.25 H new ATOM 0 HA3 GLY A 38 12.894 9.719 8.860 1.00 54.25 H new ATOM 573 N HIS A 39 11.419 7.295 7.947 1.00 2.33 N ATOM 574 CA HIS A 39 11.374 6.064 7.167 1.00 41.12 C ATOM 575 C HIS A 39 10.420 6.207 5.986 1.00 11.52 C ATOM 576 O HIS A 39 10.786 5.931 4.844 1.00 25.14 O ATOM 577 CB HIS A 39 10.943 4.891 8.049 1.00 52.33 C ATOM 578 CG HIS A 39 12.056 4.325 8.875 1.00 24.32 C ATOM 579 ND1 HIS A 39 12.102 4.430 10.250 1.00 54.12 N ATOM 580 CD2 HIS A 39 13.170 3.644 8.514 1.00 21.12 C ATOM 581 CE1 HIS A 39 13.195 3.840 10.698 1.00 22.32 C ATOM 582 NE2 HIS A 39 13.860 3.355 9.666 1.00 30.33 N ATOM 0 H HIS A 39 11.018 7.217 8.882 1.00 2.33 H new ATOM 0 HA HIS A 39 12.375 5.869 6.782 1.00 41.12 H new ATOM 0 HB2 HIS A 39 10.141 5.219 8.710 1.00 52.33 H new ATOM 0 HB3 HIS A 39 10.533 4.103 7.417 1.00 52.33 H new ATOM 0 HD2 HIS A 39 13.461 3.378 7.509 1.00 21.12 H new ATOM 0 HE1 HIS A 39 13.494 3.767 11.733 1.00 22.32 H new ATOM 0 HE2 HIS A 39 14.743 2.848 9.716 1.00 30.33 H new ATOM 591 N CYS A 40 9.195 6.643 6.268 1.00 60.23 N ATOM 592 CA CYS A 40 8.191 6.824 5.225 1.00 12.10 C ATOM 593 C CYS A 40 8.688 7.789 4.159 1.00 73.23 C ATOM 594 O CYS A 40 8.458 7.590 2.966 1.00 34.22 O ATOM 595 CB CYS A 40 6.882 7.339 5.827 1.00 63.34 C ATOM 596 SG CYS A 40 5.556 7.566 4.619 1.00 13.53 S ATOM 0 H CYS A 40 8.875 6.877 7.208 1.00 60.23 H new ATOM 0 HA CYS A 40 8.009 5.856 4.759 1.00 12.10 H new ATOM 0 HB2 CYS A 40 6.546 6.640 6.593 1.00 63.34 H new ATOM 0 HB3 CYS A 40 7.072 8.290 6.325 1.00 63.34 H new ATOM 0 HG CYS A 40 4.486 7.989 5.224 1.00 13.53 H new ATOM 602 N LYS A 41 9.378 8.831 4.601 1.00 21.23 N ATOM 603 CA LYS A 41 9.922 9.833 3.691 1.00 10.33 C ATOM 604 C LYS A 41 10.879 9.194 2.685 1.00 54.14 C ATOM 605 O LYS A 41 11.143 9.756 1.622 1.00 74.52 O ATOM 606 CB LYS A 41 10.641 10.930 4.478 1.00 51.31 C ATOM 607 CG LYS A 41 9.793 11.538 5.585 1.00 32.41 C ATOM 608 CD LYS A 41 8.543 12.204 5.030 1.00 32.30 C ATOM 609 CE LYS A 41 7.284 11.678 5.702 1.00 55.12 C ATOM 610 NZ LYS A 41 6.280 12.755 5.922 1.00 20.54 N ATOM 0 H LYS A 41 9.575 9.006 5.586 1.00 21.23 H new ATOM 0 HA LYS A 41 9.093 10.278 3.141 1.00 10.33 H new ATOM 0 HB2 LYS A 41 11.551 10.517 4.913 1.00 51.31 H new ATOM 0 HB3 LYS A 41 10.946 11.719 3.790 1.00 51.31 H new ATOM 0 HG2 LYS A 41 9.508 10.761 6.294 1.00 32.41 H new ATOM 0 HG3 LYS A 41 10.383 12.271 6.135 1.00 32.41 H new ATOM 0 HD2 LYS A 41 8.610 13.282 5.174 1.00 32.30 H new ATOM 0 HD3 LYS A 41 8.483 12.029 3.956 1.00 32.30 H new ATOM 0 HE2 LYS A 41 6.845 10.893 5.086 1.00 55.12 H new ATOM 0 HE3 LYS A 41 7.545 11.225 6.658 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 5.322 12.363 5.820 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 6.394 13.146 6.879 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 6.421 13.510 5.221 1.00 20.54 H new ATOM 624 N ALA A 42 11.385 8.011 3.023 1.00 53.53 N ATOM 625 CA ALA A 42 12.299 7.284 2.150 1.00 63.24 C ATOM 626 C ALA A 42 11.549 6.215 1.367 1.00 22.20 C ATOM 627 O ALA A 42 12.031 5.711 0.352 1.00 35.20 O ATOM 628 CB ALA A 42 13.398 6.644 2.975 1.00 71.23 C ATOM 0 H ALA A 42 11.175 7.534 3.900 1.00 53.53 H new ATOM 0 HA ALA A 42 12.742 7.987 1.444 1.00 63.24 H new ATOM 0 HB1 ALA A 42 14.078 6.102 2.318 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.949 7.418 3.509 1.00 71.23 H new ATOM 0 HB3 ALA A 42 12.958 5.951 3.692 1.00 71.23 H new ATOM 634 N LEU A 43 10.368 5.873 1.864 1.00 3.15 N ATOM 635 CA LEU A 43 9.520 4.861 1.248 1.00 50.12 C ATOM 636 C LEU A 43 8.567 5.473 0.220 1.00 0.15 C ATOM 637 O LEU A 43 7.964 4.768 -0.585 1.00 25.30 O ATOM 638 CB LEU A 43 8.711 4.157 2.330 1.00 20.44 C ATOM 639 CG LEU A 43 9.385 2.933 2.948 1.00 62.22 C ATOM 640 CD1 LEU A 43 10.292 3.347 4.097 1.00 75.32 C ATOM 641 CD2 LEU A 43 8.343 1.935 3.424 1.00 41.04 C ATOM 0 H LEU A 43 9.971 6.289 2.706 1.00 3.15 H new ATOM 0 HA LEU A 43 10.163 4.150 0.730 1.00 50.12 H new ATOM 0 HB2 LEU A 43 8.494 4.872 3.123 1.00 20.44 H new ATOM 0 HB3 LEU A 43 7.755 3.851 1.906 1.00 20.44 H new ATOM 0 HG LEU A 43 9.996 2.454 2.183 1.00 62.22 H new ATOM 0 HD11 LEU A 43 10.764 2.462 4.525 1.00 75.32 H new ATOM 0 HD12 LEU A 43 11.061 4.025 3.727 1.00 75.32 H new ATOM 0 HD13 LEU A 43 9.702 3.850 4.863 1.00 75.32 H new ATOM 0 HD21 LEU A 43 8.841 1.070 3.861 1.00 41.04 H new ATOM 0 HD22 LEU A 43 7.706 2.404 4.174 1.00 41.04 H new ATOM 0 HD23 LEU A 43 7.734 1.614 2.579 1.00 41.04 H new ATOM 653 N ALA A 44 8.432 6.785 0.266 1.00 71.13 N ATOM 654 CA ALA A 44 7.554 7.514 -0.641 1.00 14.25 C ATOM 655 C ALA A 44 8.023 7.436 -2.090 1.00 34.31 C ATOM 656 O ALA A 44 7.208 7.313 -3.002 1.00 74.45 O ATOM 657 CB ALA A 44 7.477 8.963 -0.220 1.00 30.41 C ATOM 0 H ALA A 44 8.926 7.379 0.932 1.00 71.13 H new ATOM 0 HA ALA A 44 6.571 7.047 -0.585 1.00 14.25 H new ATOM 0 HB1 ALA A 44 6.820 9.505 -0.900 1.00 30.41 H new ATOM 0 HB2 ALA A 44 7.082 9.027 0.794 1.00 30.41 H new ATOM 0 HB3 ALA A 44 8.473 9.404 -0.250 1.00 30.41 H new ATOM 663 N PRO A 45 9.343 7.510 -2.332 1.00 75.14 N ATOM 664 CA PRO A 45 9.883 7.448 -3.686 1.00 70.44 C ATOM 665 C PRO A 45 9.415 6.205 -4.404 1.00 62.41 C ATOM 666 O PRO A 45 9.150 6.218 -5.606 1.00 14.35 O ATOM 667 CB PRO A 45 11.393 7.385 -3.495 1.00 11.31 C ATOM 668 CG PRO A 45 11.659 7.825 -2.097 1.00 74.31 C ATOM 669 CD PRO A 45 10.392 7.647 -1.312 1.00 42.31 C ATOM 0 HA PRO A 45 9.561 8.300 -4.285 1.00 70.44 H new ATOM 0 HB2 PRO A 45 11.764 6.373 -3.661 1.00 11.31 H new ATOM 0 HB3 PRO A 45 11.902 8.032 -4.209 1.00 11.31 H new ATOM 0 HG2 PRO A 45 12.466 7.238 -1.659 1.00 74.31 H new ATOM 0 HG3 PRO A 45 11.977 8.867 -2.078 1.00 74.31 H new ATOM 0 HD2 PRO A 45 10.442 6.765 -0.673 1.00 42.31 H new ATOM 0 HD3 PRO A 45 10.204 8.502 -0.662 1.00 42.31 H new ATOM 677 N LYS A 46 9.309 5.133 -3.643 1.00 20.24 N ATOM 678 CA LYS A 46 8.856 3.857 -4.195 1.00 25.04 C ATOM 679 C LYS A 46 7.347 3.834 -4.284 1.00 42.02 C ATOM 680 O LYS A 46 6.769 3.151 -5.121 1.00 64.24 O ATOM 681 CB LYS A 46 9.333 2.680 -3.341 1.00 30.13 C ATOM 682 CG LYS A 46 8.535 2.484 -2.060 1.00 4.35 C ATOM 683 CD LYS A 46 9.420 2.490 -0.831 1.00 52.40 C ATOM 684 CE LYS A 46 9.967 1.103 -0.536 1.00 65.44 C ATOM 685 NZ LYS A 46 9.043 0.314 0.326 1.00 23.32 N ATOM 0 H LYS A 46 9.527 5.113 -2.647 1.00 20.24 H new ATOM 0 HA LYS A 46 9.284 3.756 -5.192 1.00 25.04 H new ATOM 0 HB2 LYS A 46 9.278 1.767 -3.935 1.00 30.13 H new ATOM 0 HB3 LYS A 46 10.382 2.831 -3.085 1.00 30.13 H new ATOM 0 HG2 LYS A 46 7.790 3.274 -1.973 1.00 4.35 H new ATOM 0 HG3 LYS A 46 7.993 1.539 -2.112 1.00 4.35 H new ATOM 0 HD2 LYS A 46 10.247 3.185 -0.979 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.852 2.849 0.027 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.133 0.571 -1.473 1.00 65.44 H new ATOM 0 HE3 LYS A 46 10.936 1.192 -0.044 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 9.554 -0.019 1.169 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 8.245 0.913 0.619 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 8.684 -0.504 -0.207 1.00 23.32 H new ATOM 699 N TYR A 47 6.720 4.579 -3.399 1.00 61.23 N ATOM 700 CA TYR A 47 5.273 4.641 -3.353 1.00 23.14 C ATOM 701 C TYR A 47 4.725 5.523 -4.467 1.00 2.14 C ATOM 702 O TYR A 47 3.616 5.305 -4.954 1.00 1.03 O ATOM 703 CB TYR A 47 4.819 5.136 -1.982 1.00 43.44 C ATOM 704 CG TYR A 47 4.032 4.100 -1.220 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.550 2.828 -1.015 1.00 32.01 C ATOM 706 CD2 TYR A 47 2.772 4.385 -0.718 1.00 74.31 C ATOM 707 CE1 TYR A 47 3.833 1.869 -0.330 1.00 25.32 C ATOM 708 CE2 TYR A 47 2.048 3.433 -0.028 1.00 13.43 C ATOM 709 CZ TYR A 47 2.582 2.174 0.162 1.00 43.13 C ATOM 710 OH TYR A 47 1.866 1.215 0.844 1.00 24.45 O ATOM 0 H TYR A 47 7.191 5.152 -2.699 1.00 61.23 H new ATOM 0 HA TYR A 47 4.875 3.638 -3.510 1.00 23.14 H new ATOM 0 HB2 TYR A 47 5.692 5.425 -1.397 1.00 43.44 H new ATOM 0 HB3 TYR A 47 4.209 6.030 -2.107 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.530 2.586 -1.398 1.00 32.01 H new ATOM 0 HD2 TYR A 47 2.350 5.367 -0.869 1.00 74.31 H new ATOM 0 HE1 TYR A 47 4.250 0.884 -0.180 1.00 25.32 H new ATOM 0 HE2 TYR A 47 1.069 3.672 0.361 1.00 13.43 H new ATOM 0 HH TYR A 47 0.964 1.150 0.466 1.00 24.45 H new ATOM 720 N GLU A 48 5.513 6.508 -4.878 1.00 24.14 N ATOM 721 CA GLU A 48 5.106 7.407 -5.946 1.00 22.24 C ATOM 722 C GLU A 48 5.486 6.830 -7.303 1.00 54.31 C ATOM 723 O GLU A 48 4.780 7.022 -8.288 1.00 22.41 O ATOM 724 CB GLU A 48 5.750 8.782 -5.766 1.00 13.13 C ATOM 725 CG GLU A 48 5.070 9.639 -4.711 1.00 10.32 C ATOM 726 CD GLU A 48 4.952 11.093 -5.128 1.00 51.13 C ATOM 727 OE1 GLU A 48 5.990 11.698 -5.469 1.00 52.11 O ATOM 728 OE2 GLU A 48 3.822 11.625 -5.113 1.00 72.33 O ATOM 0 H GLU A 48 6.435 6.703 -4.488 1.00 24.14 H new ATOM 0 HA GLU A 48 4.023 7.519 -5.902 1.00 22.24 H new ATOM 0 HB2 GLU A 48 6.798 8.651 -5.495 1.00 13.13 H new ATOM 0 HB3 GLU A 48 5.731 9.311 -6.719 1.00 13.13 H new ATOM 0 HG2 GLU A 48 4.075 9.241 -4.510 1.00 10.32 H new ATOM 0 HG3 GLU A 48 5.633 9.576 -3.779 1.00 10.32 H new ATOM 735 N GLU A 49 6.605 6.116 -7.342 1.00 54.44 N ATOM 736 CA GLU A 49 7.081 5.503 -8.576 1.00 42.11 C ATOM 737 C GLU A 49 6.363 4.185 -8.829 1.00 51.34 C ATOM 738 O GLU A 49 6.003 3.867 -9.961 1.00 33.31 O ATOM 739 CB GLU A 49 8.591 5.270 -8.506 1.00 61.51 C ATOM 740 CG GLU A 49 9.413 6.518 -8.784 1.00 11.24 C ATOM 741 CD GLU A 49 10.790 6.198 -9.332 1.00 61.31 C ATOM 742 OE1 GLU A 49 10.968 5.091 -9.883 1.00 30.35 O ATOM 743 OE2 GLU A 49 11.691 7.055 -9.212 1.00 22.31 O ATOM 0 H GLU A 49 7.201 5.947 -6.531 1.00 54.44 H new ATOM 0 HA GLU A 49 6.866 6.182 -9.401 1.00 42.11 H new ATOM 0 HB2 GLU A 49 8.846 4.890 -7.517 1.00 61.51 H new ATOM 0 HB3 GLU A 49 8.865 4.497 -9.224 1.00 61.51 H new ATOM 0 HG2 GLU A 49 8.880 7.149 -9.496 1.00 11.24 H new ATOM 0 HG3 GLU A 49 9.517 7.093 -7.864 1.00 11.24 H new ATOM 750 N LEU A 50 6.138 3.431 -7.762 1.00 55.33 N ATOM 751 CA LEU A 50 5.446 2.160 -7.857 1.00 62.33 C ATOM 752 C LEU A 50 3.965 2.410 -7.896 1.00 53.01 C ATOM 753 O LEU A 50 3.230 1.828 -8.691 1.00 72.22 O ATOM 754 CB LEU A 50 5.772 1.304 -6.645 1.00 53.34 C ATOM 755 CG LEU A 50 5.364 -0.167 -6.759 1.00 31.31 C ATOM 756 CD1 LEU A 50 6.552 -1.025 -7.160 1.00 73.44 C ATOM 757 CD2 LEU A 50 4.764 -0.659 -5.450 1.00 32.53 C ATOM 0 H LEU A 50 6.428 3.682 -6.817 1.00 55.33 H new ATOM 0 HA LEU A 50 5.764 1.642 -8.762 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.845 1.354 -6.463 1.00 53.34 H new ATOM 0 HB3 LEU A 50 5.280 1.735 -5.773 1.00 53.34 H new ATOM 0 HG LEU A 50 4.605 -0.252 -7.537 1.00 31.31 H new ATOM 0 HD11 LEU A 50 6.240 -2.067 -7.235 1.00 73.44 H new ATOM 0 HD12 LEU A 50 6.934 -0.690 -8.124 1.00 73.44 H new ATOM 0 HD13 LEU A 50 7.336 -0.935 -6.408 1.00 73.44 H new ATOM 0 HD21 LEU A 50 4.480 -1.707 -5.551 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.499 -0.557 -4.652 1.00 32.53 H new ATOM 0 HD23 LEU A 50 3.882 -0.066 -5.208 1.00 32.53 H new ATOM 769 N GLY A 51 3.545 3.296 -7.016 1.00 23.21 N ATOM 770 CA GLY A 51 2.148 3.645 -6.933 1.00 32.42 C ATOM 771 C GLY A 51 1.645 4.246 -8.213 1.00 21.41 C ATOM 772 O GLY A 51 0.557 3.922 -8.686 1.00 20.22 O ATOM 0 H GLY A 51 4.149 3.783 -6.354 1.00 23.21 H new ATOM 0 HA2 GLY A 51 1.565 2.755 -6.696 1.00 32.42 H new ATOM 0 HA3 GLY A 51 1.998 4.351 -6.117 1.00 32.42 H new ATOM 776 N ALA A 52 2.456 5.115 -8.778 1.00 74.32 N ATOM 777 CA ALA A 52 2.122 5.766 -10.025 1.00 34.41 C ATOM 778 C ALA A 52 2.075 4.737 -11.135 1.00 53.51 C ATOM 779 O ALA A 52 1.110 4.658 -11.894 1.00 24.53 O ATOM 780 CB ALA A 52 3.145 6.841 -10.327 1.00 21.31 C ATOM 0 H ALA A 52 3.358 5.388 -8.389 1.00 74.32 H new ATOM 0 HA ALA A 52 1.142 6.236 -9.947 1.00 34.41 H new ATOM 0 HB1 ALA A 52 2.892 7.331 -11.267 1.00 21.31 H new ATOM 0 HB2 ALA A 52 3.147 7.577 -9.523 1.00 21.31 H new ATOM 0 HB3 ALA A 52 4.134 6.390 -10.408 1.00 21.31 H new ATOM 786 N LEU A 53 3.116 3.924 -11.208 1.00 5.04 N ATOM 787 CA LEU A 53 3.174 2.883 -12.216 1.00 63.21 C ATOM 788 C LEU A 53 2.052 1.879 -11.990 1.00 15.14 C ATOM 789 O LEU A 53 1.467 1.364 -12.940 1.00 42.51 O ATOM 790 CB LEU A 53 4.533 2.184 -12.190 1.00 31.14 C ATOM 791 CG LEU A 53 5.719 3.078 -12.554 1.00 72.33 C ATOM 792 CD1 LEU A 53 7.022 2.464 -12.066 1.00 21.32 C ATOM 793 CD2 LEU A 53 5.768 3.311 -14.056 1.00 32.33 C ATOM 0 H LEU A 53 3.924 3.965 -10.587 1.00 5.04 H new ATOM 0 HA LEU A 53 3.046 3.338 -13.198 1.00 63.21 H new ATOM 0 HB2 LEU A 53 4.697 1.775 -11.193 1.00 31.14 H new ATOM 0 HB3 LEU A 53 4.506 1.341 -12.880 1.00 31.14 H new ATOM 0 HG LEU A 53 5.588 4.041 -12.060 1.00 72.33 H new ATOM 0 HD11 LEU A 53 7.854 3.115 -12.335 1.00 21.32 H new ATOM 0 HD12 LEU A 53 6.987 2.349 -10.983 1.00 21.32 H new ATOM 0 HD13 LEU A 53 7.161 1.488 -12.530 1.00 21.32 H new ATOM 0 HD21 LEU A 53 6.618 3.949 -14.298 1.00 32.33 H new ATOM 0 HD22 LEU A 53 5.874 2.355 -14.569 1.00 32.33 H new ATOM 0 HD23 LEU A 53 4.847 3.796 -14.379 1.00 32.33 H new ATOM 805 N TYR A 54 1.736 1.620 -10.725 1.00 1.54 N ATOM 806 CA TYR A 54 0.666 0.690 -10.397 1.00 34.11 C ATOM 807 C TYR A 54 -0.688 1.313 -10.709 1.00 70.15 C ATOM 808 O TYR A 54 -1.650 0.607 -11.006 1.00 54.54 O ATOM 809 CB TYR A 54 0.731 0.285 -8.923 1.00 11.35 C ATOM 810 CG TYR A 54 1.546 -0.965 -8.676 1.00 31.32 C ATOM 811 CD1 TYR A 54 2.865 -1.052 -9.103 1.00 14.11 C ATOM 812 CD2 TYR A 54 0.997 -2.057 -8.016 1.00 13.35 C ATOM 813 CE1 TYR A 54 3.614 -2.192 -8.878 1.00 11.43 C ATOM 814 CE2 TYR A 54 1.739 -3.200 -7.787 1.00 12.41 C ATOM 815 CZ TYR A 54 3.047 -3.262 -8.220 1.00 43.43 C ATOM 816 OH TYR A 54 3.790 -4.398 -7.994 1.00 74.34 O ATOM 0 H TYR A 54 2.201 2.037 -9.919 1.00 1.54 H new ATOM 0 HA TYR A 54 0.793 -0.205 -11.006 1.00 34.11 H new ATOM 0 HB2 TYR A 54 1.157 1.107 -8.347 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -0.282 0.128 -8.553 1.00 11.35 H new ATOM 0 HD1 TYR A 54 3.313 -0.216 -9.619 1.00 14.11 H new ATOM 0 HD2 TYR A 54 -0.027 -2.012 -7.676 1.00 13.35 H new ATOM 0 HE1 TYR A 54 4.638 -2.244 -9.216 1.00 11.43 H new ATOM 0 HE2 TYR A 54 1.297 -4.040 -7.272 1.00 12.41 H new ATOM 0 HH TYR A 54 3.243 -5.057 -7.518 1.00 74.34 H new ATOM 826 N ALA A 55 -0.757 2.641 -10.632 1.00 21.21 N ATOM 827 CA ALA A 55 -1.999 3.357 -10.901 1.00 3.44 C ATOM 828 C ALA A 55 -1.975 4.077 -12.253 1.00 5.13 C ATOM 829 O ALA A 55 -2.823 4.930 -12.515 1.00 74.31 O ATOM 830 CB ALA A 55 -2.277 4.352 -9.784 1.00 34.11 C ATOM 0 H ALA A 55 0.031 3.240 -10.386 1.00 21.21 H new ATOM 0 HA ALA A 55 -2.799 2.617 -10.943 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -3.206 4.883 -9.992 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -2.367 3.820 -8.837 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -1.457 5.067 -9.721 1.00 34.11 H new ATOM 836 N LYS A 56 -1.004 3.750 -13.107 1.00 4.24 N ATOM 837 CA LYS A 56 -0.904 4.399 -14.414 1.00 4.42 C ATOM 838 C LYS A 56 -0.175 3.543 -15.459 1.00 44.15 C ATOM 839 O LYS A 56 0.164 4.043 -16.532 1.00 51.42 O ATOM 840 CB LYS A 56 -0.187 5.742 -14.269 1.00 22.22 C ATOM 841 CG LYS A 56 -1.009 6.928 -14.746 1.00 10.21 C ATOM 842 CD LYS A 56 -0.384 8.247 -14.320 1.00 4.24 C ATOM 843 CE LYS A 56 -0.302 8.362 -12.806 1.00 65.32 C ATOM 844 NZ LYS A 56 -0.556 9.754 -12.341 1.00 32.21 N ATOM 0 H LYS A 56 -0.286 3.050 -12.921 1.00 4.24 H new ATOM 0 HA LYS A 56 -1.923 4.542 -14.772 1.00 4.42 H new ATOM 0 HB2 LYS A 56 0.077 5.892 -13.222 1.00 22.22 H new ATOM 0 HB3 LYS A 56 0.746 5.708 -14.831 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -1.095 6.899 -15.832 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -2.020 6.857 -14.344 1.00 10.21 H new ATOM 0 HD2 LYS A 56 0.615 8.332 -14.747 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -0.972 9.074 -14.717 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -1.028 7.689 -12.351 1.00 65.32 H new ATOM 0 HE3 LYS A 56 0.684 8.041 -12.470 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -0.491 9.791 -11.304 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 0.152 10.393 -12.755 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -1.507 10.052 -12.639 1.00 32.21 H new ATOM 858 N SER A 57 0.072 2.267 -15.164 1.00 21.53 N ATOM 859 CA SER A 57 0.764 1.398 -16.121 1.00 44.53 C ATOM 860 C SER A 57 -0.185 0.346 -16.708 1.00 60.45 C ATOM 861 O SER A 57 -0.988 0.656 -17.587 1.00 54.40 O ATOM 862 CB SER A 57 1.980 0.733 -15.466 1.00 10.34 C ATOM 863 OG SER A 57 2.882 1.703 -14.962 1.00 42.20 O ATOM 0 H SER A 57 -0.190 1.816 -14.287 1.00 21.53 H new ATOM 0 HA SER A 57 1.115 2.020 -16.944 1.00 44.53 H new ATOM 0 HB2 SER A 57 1.650 0.083 -14.656 1.00 10.34 H new ATOM 0 HB3 SER A 57 2.489 0.102 -16.194 1.00 10.34 H new ATOM 0 HG SER A 57 3.795 1.348 -14.993 1.00 42.20 H new ATOM 869 N GLU A 58 -0.095 -0.895 -16.228 1.00 55.23 N ATOM 870 CA GLU A 58 -0.951 -1.967 -16.720 1.00 22.24 C ATOM 871 C GLU A 58 -1.640 -2.679 -15.561 1.00 31.15 C ATOM 872 O GLU A 58 -1.981 -3.857 -15.655 1.00 31.23 O ATOM 873 CB GLU A 58 -0.135 -2.970 -17.537 1.00 12.33 C ATOM 874 CG GLU A 58 0.867 -2.316 -18.475 1.00 25.21 C ATOM 875 CD GLU A 58 0.685 -2.747 -19.918 1.00 5.30 C ATOM 876 OE1 GLU A 58 -0.414 -2.525 -20.469 1.00 24.30 O ATOM 877 OE2 GLU A 58 1.641 -3.305 -20.496 1.00 25.24 O ATOM 0 H GLU A 58 0.561 -1.179 -15.501 1.00 55.23 H new ATOM 0 HA GLU A 58 -1.713 -1.526 -17.362 1.00 22.24 H new ATOM 0 HB2 GLU A 58 0.397 -3.634 -16.856 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -0.815 -3.590 -18.120 1.00 12.33 H new ATOM 0 HG2 GLU A 58 0.768 -1.233 -18.408 1.00 25.21 H new ATOM 0 HG3 GLU A 58 1.878 -2.564 -18.151 1.00 25.21 H new ATOM 884 N PHE A 59 -1.842 -1.950 -14.470 1.00 74.45 N ATOM 885 CA PHE A 59 -2.492 -2.501 -13.286 1.00 21.52 C ATOM 886 C PHE A 59 -3.196 -1.401 -12.501 1.00 53.04 C ATOM 887 O PHE A 59 -3.461 -1.545 -11.307 1.00 13.31 O ATOM 888 CB PHE A 59 -1.475 -3.207 -12.385 1.00 12.03 C ATOM 889 CG PHE A 59 -0.355 -3.874 -13.135 1.00 35.24 C ATOM 890 CD1 PHE A 59 0.804 -3.178 -13.439 1.00 22.34 C ATOM 891 CD2 PHE A 59 -0.463 -5.196 -13.534 1.00 63.25 C ATOM 892 CE1 PHE A 59 1.835 -3.789 -14.127 1.00 44.50 C ATOM 893 CE2 PHE A 59 0.565 -5.813 -14.222 1.00 73.00 C ATOM 894 CZ PHE A 59 1.715 -5.108 -14.519 1.00 33.14 C ATOM 0 H PHE A 59 -1.564 -0.973 -14.380 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.231 -3.230 -13.619 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -1.052 -2.480 -11.692 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -1.993 -3.955 -11.785 1.00 12.03 H new ATOM 0 HD1 PHE A 59 0.903 -2.146 -13.135 1.00 22.34 H new ATOM 0 HD2 PHE A 59 -1.361 -5.751 -13.305 1.00 63.25 H new ATOM 0 HE1 PHE A 59 2.733 -3.236 -14.358 1.00 44.50 H new ATOM 0 HE2 PHE A 59 0.469 -6.845 -14.527 1.00 73.00 H new ATOM 0 HZ PHE A 59 2.519 -5.587 -15.057 1.00 33.14 H new ATOM 904 N LYS A 60 -3.500 -0.302 -13.183 1.00 35.11 N ATOM 905 CA LYS A 60 -4.176 0.826 -12.565 1.00 12.50 C ATOM 906 C LYS A 60 -5.559 0.419 -12.074 1.00 53.32 C ATOM 907 O LYS A 60 -6.102 1.010 -11.141 1.00 1.45 O ATOM 908 CB LYS A 60 -4.275 1.968 -13.569 1.00 4.42 C ATOM 909 CG LYS A 60 -4.388 1.497 -15.009 1.00 41.52 C ATOM 910 CD LYS A 60 -3.067 1.631 -15.749 1.00 11.45 C ATOM 911 CE LYS A 60 -3.284 2.055 -17.192 1.00 63.33 C ATOM 912 NZ LYS A 60 -2.196 2.947 -17.680 1.00 32.12 N ATOM 0 H LYS A 60 -3.286 -0.171 -14.172 1.00 35.11 H new ATOM 0 HA LYS A 60 -3.600 1.159 -11.702 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -5.143 2.581 -13.326 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -3.396 2.605 -13.471 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -4.712 0.456 -15.027 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -5.154 2.078 -15.523 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -2.437 2.363 -15.243 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -2.535 0.680 -15.723 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -3.339 1.170 -17.826 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -4.241 2.569 -17.279 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -2.400 3.240 -18.657 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -2.137 3.788 -17.071 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -1.290 2.436 -17.654 1.00 32.12 H new ATOM 926 N ASP A 61 -6.104 -0.618 -12.694 1.00 63.52 N ATOM 927 CA ASP A 61 -7.408 -1.144 -12.313 1.00 24.02 C ATOM 928 C ASP A 61 -7.227 -2.477 -11.596 1.00 52.43 C ATOM 929 O ASP A 61 -8.167 -3.260 -11.454 1.00 2.45 O ATOM 930 CB ASP A 61 -8.296 -1.322 -13.546 1.00 61.12 C ATOM 931 CG ASP A 61 -8.968 -0.030 -13.967 1.00 13.52 C ATOM 932 OD1 ASP A 61 -9.760 0.514 -13.169 1.00 23.44 O ATOM 933 OD2 ASP A 61 -8.702 0.438 -15.094 1.00 30.32 O ATOM 0 H ASP A 61 -5.661 -1.114 -13.467 1.00 63.52 H new ATOM 0 HA ASP A 61 -7.895 -0.436 -11.642 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -7.694 -1.701 -14.372 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -9.058 -2.073 -13.336 1.00 61.12 H new ATOM 938 N ARG A 62 -5.996 -2.723 -11.157 1.00 74.15 N ATOM 939 CA ARG A 62 -5.640 -3.948 -10.464 1.00 30.21 C ATOM 940 C ARG A 62 -4.983 -3.614 -9.122 1.00 43.41 C ATOM 941 O ARG A 62 -5.384 -2.660 -8.456 1.00 13.43 O ATOM 942 CB ARG A 62 -4.701 -4.771 -11.347 1.00 63.22 C ATOM 943 CG ARG A 62 -4.882 -6.270 -11.201 1.00 63.51 C ATOM 944 CD ARG A 62 -3.878 -7.038 -12.046 1.00 55.34 C ATOM 945 NE ARG A 62 -4.388 -7.311 -13.388 1.00 33.12 N ATOM 946 CZ ARG A 62 -3.901 -8.256 -14.189 1.00 32.42 C ATOM 947 NH1 ARG A 62 -2.892 -9.020 -13.790 1.00 51.31 N ATOM 948 NH2 ARG A 62 -4.425 -8.438 -15.393 1.00 30.32 N ATOM 0 H ARG A 62 -5.218 -2.074 -11.274 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.536 -4.536 -10.264 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.862 -4.495 -12.389 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.670 -4.513 -11.104 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.768 -6.551 -10.154 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.894 -6.546 -11.497 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -2.953 -6.466 -12.119 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -3.633 -7.979 -11.553 1.00 55.34 H new ATOM 0 HE ARG A 62 -5.163 -6.744 -13.731 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -2.485 -8.885 -12.865 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -2.524 -9.742 -14.409 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -5.201 -7.854 -15.705 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -4.052 -9.162 -16.007 1.00 30.32 H new ATOM 962 N VAL A 63 -3.972 -4.390 -8.728 1.00 5.03 N ATOM 963 CA VAL A 63 -3.272 -4.150 -7.470 1.00 24.54 C ATOM 964 C VAL A 63 -2.900 -2.675 -7.340 1.00 43.11 C ATOM 965 O VAL A 63 -2.202 -2.123 -8.190 1.00 13.12 O ATOM 966 CB VAL A 63 -1.994 -5.010 -7.379 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.173 -4.867 -8.650 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.163 -4.641 -6.155 1.00 23.12 C ATOM 0 H VAL A 63 -3.622 -5.186 -9.261 1.00 5.03 H new ATOM 0 HA VAL A 63 -3.943 -4.427 -6.657 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.294 -6.052 -7.271 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.274 -5.479 -8.573 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.764 -5.197 -9.504 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -0.891 -3.823 -8.785 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.270 -5.265 -6.120 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -0.871 -3.593 -6.216 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -1.753 -4.801 -5.253 1.00 23.12 H new ATOM 978 N VAL A 64 -3.386 -2.040 -6.282 1.00 64.12 N ATOM 979 CA VAL A 64 -3.117 -0.628 -6.057 1.00 33.20 C ATOM 980 C VAL A 64 -2.264 -0.406 -4.813 1.00 54.35 C ATOM 981 O VAL A 64 -2.388 -1.126 -3.823 1.00 2.41 O ATOM 982 CB VAL A 64 -4.428 0.167 -5.907 1.00 61.33 C ATOM 983 CG1 VAL A 64 -4.140 1.649 -5.715 1.00 71.13 C ATOM 984 CG2 VAL A 64 -5.330 -0.061 -7.110 1.00 23.14 C ATOM 0 H VAL A 64 -3.967 -2.480 -5.568 1.00 64.12 H new ATOM 0 HA VAL A 64 -2.569 -0.273 -6.930 1.00 33.20 H new ATOM 0 HB VAL A 64 -4.949 -0.192 -5.019 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -5.080 2.192 -5.611 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -3.539 1.789 -4.817 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -3.595 2.029 -6.579 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -6.251 0.508 -6.987 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -4.819 0.267 -8.015 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -5.567 -1.122 -7.191 1.00 23.14 H new ATOM 994 N ILE A 65 -1.409 0.611 -4.870 1.00 53.13 N ATOM 995 CA ILE A 65 -0.548 0.950 -3.748 1.00 64.23 C ATOM 996 C ILE A 65 -1.260 1.934 -2.827 1.00 64.25 C ATOM 997 O ILE A 65 -1.489 3.085 -3.194 1.00 74.41 O ATOM 998 CB ILE A 65 0.782 1.560 -4.237 1.00 34.00 C ATOM 999 CG1 ILE A 65 1.463 0.617 -5.235 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.708 1.854 -3.066 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.498 -0.830 -4.782 1.00 24.43 C ATOM 0 H ILE A 65 -1.296 1.214 -5.685 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.325 0.035 -3.199 1.00 64.23 H new ATOM 0 HB ILE A 65 0.562 2.502 -4.739 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.942 0.677 -6.191 1.00 43.52 H new ATOM 0 HG13 ILE A 65 2.484 0.959 -5.406 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.639 2.283 -3.437 1.00 13.14 H new ATOM 0 HG22 ILE A 65 1.227 2.561 -2.390 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.923 0.929 -2.531 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.995 -1.436 -5.539 1.00 24.43 H new ATOM 0 HD12 ILE A 65 2.045 -0.904 -3.842 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.480 -1.191 -4.639 1.00 24.43 H new ATOM 1013 N ALA A 66 -1.634 1.465 -1.641 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.350 2.305 -0.682 1.00 14.51 C ATOM 1015 C ALA A 66 -1.485 2.698 0.514 1.00 73.12 C ATOM 1016 O ALA A 66 -0.436 2.106 0.773 1.00 3.24 O ATOM 1017 CB ALA A 66 -3.608 1.599 -0.207 1.00 0.23 C ATOM 0 H ALA A 66 -1.455 0.513 -1.320 1.00 64.35 H new ATOM 0 HA ALA A 66 -2.618 3.226 -1.200 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.134 2.233 0.507 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.256 1.398 -1.060 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.338 0.659 0.273 1.00 0.23 H new ATOM 1023 N LYS A 67 -1.945 3.703 1.247 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.230 4.184 2.420 1.00 52.23 C ATOM 1025 C LYS A 67 -2.205 4.711 3.463 1.00 31.31 C ATOM 1026 O LYS A 67 -3.398 4.842 3.200 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.242 5.284 2.026 1.00 44.25 C ATOM 1028 CG LYS A 67 1.106 5.172 2.719 1.00 70.43 C ATOM 1029 CD LYS A 67 1.868 6.487 2.673 1.00 21.32 C ATOM 1030 CE LYS A 67 2.660 6.629 1.384 1.00 75.00 C ATOM 1031 NZ LYS A 67 3.495 7.863 1.378 1.00 23.24 N ATOM 0 H LYS A 67 -2.812 4.202 1.049 1.00 1.20 H new ATOM 0 HA LYS A 67 -0.677 3.349 2.850 1.00 52.23 H new ATOM 0 HB2 LYS A 67 -0.089 5.254 0.947 1.00 44.25 H new ATOM 0 HB3 LYS A 67 -0.681 6.254 2.259 1.00 44.25 H new ATOM 0 HG2 LYS A 67 0.959 4.872 3.756 1.00 70.43 H new ATOM 0 HG3 LYS A 67 1.698 4.391 2.242 1.00 70.43 H new ATOM 0 HD2 LYS A 67 1.168 7.317 2.764 1.00 21.32 H new ATOM 0 HD3 LYS A 67 2.545 6.546 3.525 1.00 21.32 H new ATOM 0 HE2 LYS A 67 3.300 5.757 1.253 1.00 75.00 H new ATOM 0 HE3 LYS A 67 1.974 6.651 0.537 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 4.019 7.923 0.482 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 2.882 8.697 1.477 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 4.167 7.831 2.171 1.00 23.24 H new ATOM 1045 N VAL A 68 -1.688 5.013 4.646 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.515 5.528 5.729 1.00 72.45 C ATOM 1047 C VAL A 68 -1.663 6.097 6.858 1.00 32.14 C ATOM 1048 O VAL A 68 -0.586 5.581 7.157 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.437 4.432 6.301 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -2.622 3.353 7.000 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.462 5.034 7.251 1.00 51.14 C ATOM 0 H VAL A 68 -0.701 4.910 4.880 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.125 6.325 5.304 1.00 72.45 H new ATOM 0 HB VAL A 68 -3.972 3.969 5.472 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.292 2.590 7.396 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -1.934 2.898 6.287 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.055 3.798 7.818 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.102 4.244 7.643 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -3.948 5.528 8.076 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.071 5.762 6.715 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.160 7.154 7.488 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.450 7.783 8.594 1.00 43.22 C ATOM 1063 C ASP A 69 -1.786 7.078 9.903 1.00 5.23 C ATOM 1064 O ASP A 69 -2.841 7.308 10.494 1.00 5.32 O ATOM 1065 CB ASP A 69 -1.806 9.267 8.685 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.591 10.135 8.952 1.00 4.11 C ATOM 1067 OD1 ASP A 69 0.269 9.720 9.757 1.00 53.31 O ATOM 1068 OD2 ASP A 69 -0.500 11.228 8.355 1.00 42.00 O ATOM 0 H ASP A 69 -3.050 7.593 7.253 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.379 7.696 8.413 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.278 9.583 7.755 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.537 9.415 9.480 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.885 6.207 10.340 1.00 52.42 N ATOM 1074 CA ALA A 70 -1.079 5.447 11.570 1.00 24.21 C ATOM 1075 C ALA A 70 -1.079 6.343 12.804 1.00 22.35 C ATOM 1076 O ALA A 70 -1.450 5.910 13.895 1.00 53.45 O ATOM 1077 CB ALA A 70 0.002 4.388 11.694 1.00 61.12 C ATOM 0 H ALA A 70 -0.008 6.008 9.858 1.00 52.42 H new ATOM 0 HA ALA A 70 -2.058 4.971 11.515 1.00 24.21 H new ATOM 0 HB1 ALA A 70 -0.146 3.823 12.614 1.00 61.12 H new ATOM 0 HB2 ALA A 70 -0.051 3.712 10.840 1.00 61.12 H new ATOM 0 HB3 ALA A 70 0.980 4.868 11.717 1.00 61.12 H new ATOM 1083 N THR A 71 -0.654 7.585 12.631 1.00 42.24 N ATOM 1084 CA THR A 71 -0.596 8.535 13.737 1.00 3.43 C ATOM 1085 C THR A 71 -1.634 9.642 13.579 1.00 33.43 C ATOM 1086 O THR A 71 -1.890 10.402 14.512 1.00 51.01 O ATOM 1087 CB THR A 71 0.798 9.145 13.819 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.846 10.166 14.799 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.262 9.739 12.508 1.00 30.12 C ATOM 0 H THR A 71 -0.343 7.961 11.735 1.00 42.24 H new ATOM 0 HA THR A 71 -0.818 7.994 14.657 1.00 3.43 H new ATOM 0 HB THR A 71 1.461 8.321 14.083 1.00 25.35 H new ATOM 0 HG1 THR A 71 -0.065 10.400 15.073 1.00 70.43 H new ATOM 0 HG21 THR A 71 2.261 10.157 12.631 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.286 8.961 11.744 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.574 10.527 12.202 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.228 9.727 12.396 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.237 10.736 12.119 1.00 75.21 C ATOM 1099 C ALA A 72 -4.615 10.102 11.989 1.00 45.34 C ATOM 1100 O ALA A 72 -5.635 10.789 12.031 1.00 45.33 O ATOM 1101 CB ALA A 72 -2.882 11.496 10.851 1.00 51.24 C ATOM 0 H ALA A 72 -2.026 9.107 11.612 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.263 11.436 12.954 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -3.644 12.249 10.653 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -1.915 11.983 10.977 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -2.832 10.801 10.013 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.634 8.784 11.823 1.00 1.30 N ATOM 1108 CA ASN A 73 -5.878 8.050 11.678 1.00 2.25 C ATOM 1109 C ASN A 73 -5.912 6.845 12.613 1.00 71.03 C ATOM 1110 O ASN A 73 -5.005 6.013 12.602 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.038 7.592 10.231 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.791 8.713 9.240 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -4.601 8.727 8.649 1.00 72.24 O flip ATOM 1114 ND2 ASN A 73 -6.657 9.556 9.008 1.00 11.11 N flip ATOM 0 H ASN A 73 -3.796 8.203 11.786 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.703 8.711 11.944 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -5.344 6.775 10.032 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.044 7.198 10.086 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -7.557 9.507 9.485 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -6.475 10.304 8.339 1.00 11.11 H new ATOM 1121 N ASP A 74 -6.965 6.756 13.418 1.00 10.14 N ATOM 1122 CA ASP A 74 -7.116 5.650 14.356 1.00 32.42 C ATOM 1123 C ASP A 74 -7.515 4.373 13.625 1.00 31.33 C ATOM 1124 O ASP A 74 -8.683 4.178 13.289 1.00 44.21 O ATOM 1125 CB ASP A 74 -8.162 5.992 15.419 1.00 3.14 C ATOM 1126 CG ASP A 74 -7.610 6.894 16.505 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -6.861 6.393 17.370 1.00 5.34 O ATOM 1128 OD2 ASP A 74 -7.926 8.103 16.491 1.00 34.45 O ATOM 0 H ASP A 74 -7.726 7.435 13.440 1.00 10.14 H new ATOM 0 HA ASP A 74 -6.156 5.485 14.844 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -9.013 6.480 14.944 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -8.533 5.071 15.869 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.539 3.505 13.381 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.793 2.249 12.688 1.00 63.22 C ATOM 1135 C VAL A 75 -7.354 1.197 13.642 1.00 35.25 C ATOM 1136 O VAL A 75 -7.051 1.205 14.835 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.513 1.703 12.022 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -4.961 2.709 11.022 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.465 1.352 13.070 1.00 12.01 C ATOM 0 H VAL A 75 -5.566 3.649 13.653 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.531 2.458 11.913 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.770 0.791 11.484 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.058 2.307 10.562 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -5.706 2.902 10.250 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -4.722 3.640 11.536 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.571 0.969 12.577 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.210 2.244 13.642 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.863 0.591 13.742 1.00 12.01 H new ATOM 1149 N PRO A 76 -8.186 0.276 13.127 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.793 -0.783 13.939 1.00 75.42 C ATOM 1151 C PRO A 76 -7.795 -1.870 14.331 1.00 43.21 C ATOM 1152 O PRO A 76 -8.047 -2.653 15.247 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.869 -1.357 13.017 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.360 -1.101 11.641 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.602 0.197 11.713 1.00 24.22 C ATOM 0 HA PRO A 76 -9.175 -0.399 14.885 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -10.015 -2.423 13.194 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.831 -0.872 13.180 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -8.713 -1.912 11.307 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.181 -1.034 10.928 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.743 0.198 11.042 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.228 1.043 11.431 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.664 -1.916 13.633 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.637 -2.911 13.913 1.00 21.44 C ATOM 1165 C ASP A 77 -4.494 -2.308 14.723 1.00 3.52 C ATOM 1166 O ASP A 77 -4.130 -1.148 14.533 1.00 0.40 O ATOM 1167 CB ASP A 77 -5.099 -3.498 12.606 1.00 64.14 C ATOM 1168 CG ASP A 77 -5.751 -4.821 12.255 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -5.404 -5.841 12.887 1.00 31.34 O ATOM 1170 OD2 ASP A 77 -6.610 -4.838 11.347 1.00 20.50 O ATOM 0 H ASP A 77 -6.437 -1.277 12.871 1.00 62.52 H new ATOM 0 HA ASP A 77 -6.091 -3.707 14.503 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.266 -2.788 11.796 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -4.021 -3.638 12.690 1.00 64.14 H new ATOM 1175 N GLU A 78 -3.929 -3.105 15.624 1.00 40.33 N ATOM 1176 CA GLU A 78 -2.823 -2.651 16.459 1.00 13.24 C ATOM 1177 C GLU A 78 -1.507 -2.717 15.692 1.00 64.14 C ATOM 1178 O GLU A 78 -1.354 -3.522 14.773 1.00 14.04 O ATOM 1179 CB GLU A 78 -2.730 -3.501 17.728 1.00 53.01 C ATOM 1180 CG GLU A 78 -2.084 -2.778 18.899 1.00 32.34 C ATOM 1181 CD GLU A 78 -1.099 -3.651 19.652 1.00 33.04 C ATOM 1182 OE1 GLU A 78 -1.376 -4.859 19.809 1.00 73.45 O ATOM 1183 OE2 GLU A 78 -0.052 -3.127 20.086 1.00 0.15 O ATOM 0 H GLU A 78 -4.219 -4.068 15.795 1.00 40.33 H new ATOM 0 HA GLU A 78 -3.011 -1.615 16.740 1.00 13.24 H new ATOM 0 HB2 GLU A 78 -3.732 -3.819 18.016 1.00 53.01 H new ATOM 0 HB3 GLU A 78 -2.159 -4.404 17.510 1.00 53.01 H new ATOM 0 HG2 GLU A 78 -1.570 -1.889 18.533 1.00 32.34 H new ATOM 0 HG3 GLU A 78 -2.860 -2.438 19.584 1.00 32.34 H new ATOM 1190 N ILE A 79 -0.561 -1.863 16.068 1.00 70.21 N ATOM 1191 CA ILE A 79 0.736 -1.827 15.405 1.00 52.53 C ATOM 1192 C ILE A 79 1.878 -1.774 16.416 1.00 55.14 C ATOM 1193 O ILE A 79 2.118 -0.743 17.044 1.00 31.05 O ATOM 1194 CB ILE A 79 0.845 -0.616 14.458 1.00 0.21 C ATOM 1195 CG1 ILE A 79 -0.336 -0.592 13.487 1.00 50.33 C ATOM 1196 CG2 ILE A 79 2.164 -0.647 13.699 1.00 72.34 C ATOM 1197 CD1 ILE A 79 -0.319 0.592 12.545 1.00 75.14 C ATOM 0 H ILE A 79 -0.668 -1.189 16.826 1.00 70.21 H new ATOM 0 HA ILE A 79 0.818 -2.746 14.824 1.00 52.53 H new ATOM 0 HB ILE A 79 0.818 0.295 15.056 1.00 0.21 H new ATOM 0 HG12 ILE A 79 -0.334 -1.512 12.902 1.00 50.33 H new ATOM 0 HG13 ILE A 79 -1.265 -0.579 14.057 1.00 50.33 H new ATOM 0 HG21 ILE A 79 2.222 0.216 13.036 1.00 72.34 H new ATOM 0 HG22 ILE A 79 2.992 -0.617 14.407 1.00 72.34 H new ATOM 0 HG23 ILE A 79 2.223 -1.562 13.110 1.00 72.34 H new ATOM 0 HD11 ILE A 79 -1.185 0.544 11.885 1.00 75.14 H new ATOM 0 HD12 ILE A 79 -0.352 1.516 13.122 1.00 75.14 H new ATOM 0 HD13 ILE A 79 0.593 0.569 11.948 1.00 75.14 H new ATOM 1209 N GLN A 80 2.587 -2.890 16.558 1.00 41.44 N ATOM 1210 CA GLN A 80 3.714 -2.972 17.481 1.00 15.22 C ATOM 1211 C GLN A 80 4.988 -2.438 16.824 1.00 54.51 C ATOM 1212 O GLN A 80 5.955 -2.097 17.505 1.00 11.35 O ATOM 1213 CB GLN A 80 3.921 -4.420 17.936 1.00 42.40 C ATOM 1214 CG GLN A 80 5.203 -4.641 18.725 1.00 35.35 C ATOM 1215 CD GLN A 80 6.318 -5.214 17.872 1.00 32.31 C ATOM 1216 OE1 GLN A 80 6.370 -6.418 17.624 1.00 3.14 O ATOM 1217 NE2 GLN A 80 7.219 -4.350 17.417 1.00 40.34 N ATOM 0 H GLN A 80 2.400 -3.751 16.045 1.00 41.44 H new ATOM 0 HA GLN A 80 3.491 -2.357 18.353 1.00 15.22 H new ATOM 0 HB2 GLN A 80 3.072 -4.723 18.549 1.00 42.40 H new ATOM 0 HB3 GLN A 80 3.929 -5.068 17.060 1.00 42.40 H new ATOM 0 HG2 GLN A 80 5.529 -3.694 19.155 1.00 35.35 H new ATOM 0 HG3 GLN A 80 5.002 -5.316 19.557 1.00 35.35 H new ATOM 0 HE21 GLN A 80 7.138 -3.360 17.647 1.00 40.34 H new ATOM 0 HE22 GLN A 80 7.992 -4.677 16.838 1.00 40.34 H new ATOM 1226 N GLY A 81 4.974 -2.362 15.496 1.00 13.45 N ATOM 1227 CA GLY A 81 6.116 -1.867 14.760 1.00 71.42 C ATOM 1228 C GLY A 81 5.731 -0.732 13.838 1.00 63.33 C ATOM 1229 O GLY A 81 4.958 -0.917 12.900 1.00 62.44 O ATOM 0 H GLY A 81 4.182 -2.638 14.915 1.00 13.45 H new ATOM 0 HA2 GLY A 81 6.881 -1.527 15.458 1.00 71.42 H new ATOM 0 HA3 GLY A 81 6.554 -2.678 14.178 1.00 71.42 H new ATOM 1233 N PHE A 82 6.260 0.446 14.120 1.00 73.35 N ATOM 1234 CA PHE A 82 5.963 1.633 13.325 1.00 65.21 C ATOM 1235 C PHE A 82 7.154 2.025 12.450 1.00 11.44 C ATOM 1236 O PHE A 82 8.270 2.182 12.945 1.00 70.03 O ATOM 1237 CB PHE A 82 5.611 2.803 14.247 1.00 51.04 C ATOM 1238 CG PHE A 82 4.138 2.995 14.463 1.00 4.54 C ATOM 1239 CD1 PHE A 82 3.438 2.174 15.332 1.00 44.34 C ATOM 1240 CD2 PHE A 82 3.456 4.005 13.804 1.00 65.22 C ATOM 1241 CE1 PHE A 82 2.085 2.356 15.539 1.00 51.10 C ATOM 1242 CE2 PHE A 82 2.103 4.193 14.008 1.00 30.43 C ATOM 1243 CZ PHE A 82 1.416 3.367 14.877 1.00 53.15 C ATOM 0 H PHE A 82 6.901 0.610 14.897 1.00 73.35 H new ATOM 0 HA PHE A 82 5.117 1.400 12.679 1.00 65.21 H new ATOM 0 HB2 PHE A 82 6.091 2.647 15.213 1.00 51.04 H new ATOM 0 HB3 PHE A 82 6.028 3.719 13.828 1.00 51.04 H new ATOM 0 HD1 PHE A 82 3.956 1.383 15.853 1.00 44.34 H new ATOM 0 HD2 PHE A 82 3.988 4.653 13.123 1.00 65.22 H new ATOM 0 HE1 PHE A 82 1.550 1.708 16.218 1.00 51.10 H new ATOM 0 HE2 PHE A 82 1.583 4.984 13.489 1.00 30.43 H new ATOM 0 HZ PHE A 82 0.358 3.512 15.038 1.00 53.15 H new ATOM 1253 N PRO A 83 6.934 2.192 11.131 1.00 3.04 N ATOM 1254 CA PRO A 83 5.630 2.017 10.492 1.00 54.24 C ATOM 1255 C PRO A 83 5.326 0.555 10.192 1.00 11.33 C ATOM 1256 O PRO A 83 5.968 -0.347 10.729 1.00 42.02 O ATOM 1257 CB PRO A 83 5.754 2.808 9.183 1.00 3.23 C ATOM 1258 CG PRO A 83 7.139 3.383 9.172 1.00 1.32 C ATOM 1259 CD PRO A 83 7.944 2.569 10.146 1.00 54.44 C ATOM 0 HA PRO A 83 4.819 2.358 11.136 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.594 2.161 8.320 1.00 3.23 H new ATOM 0 HB3 PRO A 83 5.004 3.598 9.133 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.572 3.333 8.173 1.00 1.32 H new ATOM 0 HG3 PRO A 83 7.126 4.434 9.462 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.398 1.698 9.673 1.00 54.44 H new ATOM 0 HD3 PRO A 83 8.753 3.148 10.592 1.00 54.44 H new ATOM 1267 N THR A 84 4.341 0.329 9.329 1.00 2.41 N ATOM 1268 CA THR A 84 3.954 -1.031 8.960 1.00 41.24 C ATOM 1269 C THR A 84 3.471 -1.095 7.514 1.00 32.43 C ATOM 1270 O THR A 84 3.017 -0.101 6.960 1.00 60.21 O ATOM 1271 CB THR A 84 2.858 -1.543 9.904 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.366 -1.706 11.215 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.252 -2.869 9.481 1.00 53.53 C ATOM 0 H THR A 84 3.799 1.063 8.874 1.00 2.41 H new ATOM 0 HA THR A 84 4.834 -1.668 9.052 1.00 41.24 H new ATOM 0 HB THR A 84 2.077 -0.784 9.866 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.230 -1.250 11.290 1.00 22.31 H new ATOM 0 HG21 THR A 84 1.486 -3.164 10.198 1.00 53.53 H new ATOM 0 HG22 THR A 84 1.804 -2.765 8.493 1.00 53.53 H new ATOM 0 HG23 THR A 84 3.031 -3.631 9.448 1.00 53.53 H new ATOM 1281 N ILE A 85 3.566 -2.274 6.912 1.00 60.42 N ATOM 1282 CA ILE A 85 3.124 -2.465 5.537 1.00 22.33 C ATOM 1283 C ILE A 85 2.260 -3.712 5.410 1.00 73.34 C ATOM 1284 O ILE A 85 2.756 -4.824 5.272 1.00 71.15 O ATOM 1285 CB ILE A 85 4.303 -2.559 4.558 1.00 41.20 C ATOM 1286 CG1 ILE A 85 5.242 -1.362 4.759 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.781 -2.624 3.128 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.972 -0.930 3.506 1.00 54.43 C ATOM 0 H ILE A 85 3.945 -3.111 7.354 1.00 60.42 H new ATOM 0 HA ILE A 85 2.534 -1.587 5.276 1.00 22.33 H new ATOM 0 HB ILE A 85 4.871 -3.469 4.752 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.663 -0.520 5.137 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.975 -1.614 5.525 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.621 -2.691 2.437 1.00 44.35 H new ATOM 0 HG22 ILE A 85 3.145 -3.502 3.012 1.00 44.35 H new ATOM 0 HG23 ILE A 85 3.203 -1.726 2.911 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.614 -0.079 3.734 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.581 -1.755 3.137 1.00 54.43 H new ATOM 0 HD13 ILE A 85 5.248 -0.644 2.743 1.00 54.43 H new ATOM 1300 N LYS A 86 0.960 -3.504 5.454 1.00 3.11 N ATOM 1301 CA LYS A 86 -0.002 -4.593 5.349 1.00 60.53 C ATOM 1302 C LYS A 86 -0.532 -4.718 3.928 1.00 52.11 C ATOM 1303 O LYS A 86 -0.957 -3.735 3.322 1.00 22.13 O ATOM 1304 CB LYS A 86 -1.164 -4.371 6.319 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.863 -4.811 7.742 1.00 12.03 C ATOM 1306 CD LYS A 86 -2.010 -4.479 8.683 1.00 13.41 C ATOM 1307 CE LYS A 86 -2.084 -5.463 9.840 1.00 71.15 C ATOM 1308 NZ LYS A 86 -3.157 -5.103 10.808 1.00 24.02 N ATOM 0 H LYS A 86 0.538 -2.582 5.563 1.00 3.11 H new ATOM 0 HA LYS A 86 0.510 -5.520 5.609 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.426 -3.313 6.323 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -2.037 -4.914 5.957 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.676 -5.885 7.760 1.00 12.03 H new ATOM 0 HG3 LYS A 86 0.047 -4.323 8.090 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -1.883 -3.468 9.071 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -2.950 -4.493 8.132 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -2.266 -6.466 9.453 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -1.124 -5.490 10.356 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -2.738 -4.936 11.745 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -3.640 -4.240 10.486 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -3.844 -5.881 10.870 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.499 -5.934 3.403 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.972 -6.194 2.049 1.00 13.34 C ATOM 1324 C LEU A 87 -2.319 -6.903 2.072 1.00 25.24 C ATOM 1325 O LEU A 87 -2.403 -8.075 2.436 1.00 31.53 O ATOM 1326 CB LEU A 87 0.049 -7.053 1.310 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.272 -7.386 -0.158 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.266 -8.533 -0.235 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.813 -6.164 -0.887 1.00 30.13 C ATOM 0 H LEU A 87 -0.150 -6.757 3.893 1.00 25.44 H new ATOM 0 HA LEU A 87 -1.094 -5.241 1.534 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.012 -6.543 1.342 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.166 -7.990 1.855 1.00 63.02 H new ATOM 0 HG LEU A 87 0.653 -7.691 -0.648 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.483 -8.757 -1.279 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.842 -9.415 0.245 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -2.187 -8.251 0.275 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -1.032 -6.425 -1.922 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.725 -5.823 -0.398 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.069 -5.367 -0.863 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.370 -6.195 1.674 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.702 -6.780 1.643 1.00 20.25 C ATOM 1343 C TYR A 88 -5.018 -7.306 0.245 1.00 64.41 C ATOM 1344 O TYR A 88 -5.492 -6.563 -0.614 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.760 -5.761 2.067 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.662 -5.347 3.516 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.549 -4.664 3.988 1.00 30.13 C ATOM 1348 CD2 TYR A 88 -6.682 -5.642 4.412 1.00 73.15 C ATOM 1349 CE1 TYR A 88 -4.453 -4.287 5.313 1.00 35.44 C ATOM 1350 CE2 TYR A 88 -6.594 -5.266 5.740 1.00 54.40 C ATOM 1351 CZ TYR A 88 -5.477 -4.589 6.185 1.00 1.22 C ATOM 1352 OH TYR A 88 -5.380 -4.217 7.506 1.00 3.10 O ATOM 0 H TYR A 88 -3.325 -5.222 1.371 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.721 -7.609 2.350 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.670 -4.875 1.439 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.749 -6.181 1.885 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.745 -4.424 3.308 1.00 30.13 H new ATOM 0 HD2 TYR A 88 -7.557 -6.173 4.066 1.00 73.15 H new ATOM 0 HE1 TYR A 88 -3.580 -3.758 5.664 1.00 35.44 H new ATOM 0 HE2 TYR A 88 -7.395 -5.501 6.425 1.00 54.40 H new ATOM 0 HH TYR A 88 -5.997 -3.476 7.683 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.758 -8.600 0.000 1.00 54.33 N ATOM 1363 CA PRO A 89 -5.015 -9.230 -1.293 1.00 44.12 C ATOM 1364 C PRO A 89 -6.472 -9.159 -1.679 1.00 5.24 C ATOM 1365 O PRO A 89 -7.332 -8.867 -0.850 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.637 -10.699 -1.072 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.627 -10.874 0.403 1.00 52.43 C ATOM 1368 CD PRO A 89 -4.200 -9.557 0.961 1.00 64.41 C ATOM 0 HA PRO A 89 -4.457 -8.736 -2.088 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.357 -11.367 -1.544 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.662 -10.925 -1.503 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.614 -11.154 0.771 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.940 -11.666 0.699 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.592 -9.397 1.965 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -3.115 -9.478 1.026 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.752 -9.478 -2.926 1.00 0.43 N ATOM 1377 CA ALA A 90 -8.121 -9.494 -3.392 1.00 75.24 C ATOM 1378 C ALA A 90 -8.713 -10.866 -3.134 1.00 45.22 C ATOM 1379 O ALA A 90 -9.216 -11.534 -4.038 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.202 -9.127 -4.866 1.00 33.05 C ATOM 0 H ALA A 90 -6.056 -9.727 -3.629 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.697 -8.747 -2.846 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.243 -9.147 -5.189 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.795 -8.127 -5.015 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.626 -9.844 -5.452 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.633 -11.271 -1.875 1.00 72.10 N ATOM 1387 CA GLY A 91 -9.143 -12.559 -1.461 1.00 72.44 C ATOM 1388 C GLY A 91 -8.816 -12.847 -0.012 1.00 51.35 C ATOM 1389 O GLY A 91 -9.525 -13.600 0.656 1.00 44.12 O ATOM 0 H GLY A 91 -8.217 -10.720 -1.124 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -10.223 -12.586 -1.603 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -8.719 -13.339 -2.093 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.739 -12.236 0.481 1.00 43.32 N ATOM 1394 CA ALA A 92 -7.326 -12.425 1.868 1.00 72.41 C ATOM 1395 C ALA A 92 -7.249 -11.087 2.602 1.00 74.42 C ATOM 1396 O ALA A 92 -6.226 -10.742 3.193 1.00 70.33 O ATOM 1397 CB ALA A 92 -5.993 -13.160 1.932 1.00 31.53 C ATOM 0 H ALA A 92 -7.141 -11.610 -0.057 1.00 43.32 H new ATOM 0 HA ALA A 92 -8.077 -13.036 2.368 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -5.700 -13.292 2.974 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -6.092 -14.136 1.456 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -5.232 -12.579 1.412 1.00 31.53 H new ATOM 1403 N LYS A 93 -8.351 -10.342 2.560 1.00 63.44 N ATOM 1404 CA LYS A 93 -8.444 -9.042 3.218 1.00 62.03 C ATOM 1405 C LYS A 93 -8.579 -9.200 4.737 1.00 52.40 C ATOM 1406 O LYS A 93 -8.671 -8.211 5.464 1.00 73.44 O ATOM 1407 CB LYS A 93 -9.662 -8.285 2.678 1.00 51.10 C ATOM 1408 CG LYS A 93 -9.336 -6.914 2.112 1.00 74.33 C ATOM 1409 CD LYS A 93 -9.562 -6.857 0.609 1.00 31.12 C ATOM 1410 CE LYS A 93 -8.293 -6.468 -0.132 1.00 50.44 C ATOM 1411 NZ LYS A 93 -8.026 -5.006 -0.055 1.00 73.13 N ATOM 0 H LYS A 93 -9.201 -10.621 2.071 1.00 63.44 H new ATOM 0 HA LYS A 93 -7.531 -8.485 3.009 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -10.134 -8.885 1.900 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -10.391 -8.172 3.480 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -9.954 -6.162 2.602 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -8.298 -6.666 2.333 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -9.908 -7.828 0.255 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -10.350 -6.138 0.386 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -7.447 -7.013 0.287 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -8.378 -6.766 -1.177 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -7.031 -4.822 -0.294 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -8.642 -4.505 -0.727 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -8.219 -4.668 0.910 1.00 73.13 H new ATOM 1425 N GLY A 94 -8.605 -10.447 5.210 1.00 31.24 N ATOM 1426 CA GLY A 94 -8.745 -10.704 6.630 1.00 21.30 C ATOM 1427 C GLY A 94 -7.429 -11.048 7.292 1.00 43.25 C ATOM 1428 O GLY A 94 -7.279 -10.889 8.503 1.00 34.03 O ATOM 0 H GLY A 94 -8.531 -11.283 4.630 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -9.172 -9.826 7.114 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -9.448 -11.524 6.779 1.00 21.30 H new ATOM 1432 N GLN A 95 -6.464 -11.499 6.498 1.00 30.14 N ATOM 1433 CA GLN A 95 -5.155 -11.835 7.025 1.00 32.12 C ATOM 1434 C GLN A 95 -4.056 -11.299 6.116 1.00 35.41 C ATOM 1435 O GLN A 95 -3.165 -12.035 5.691 1.00 1.14 O ATOM 1436 CB GLN A 95 -5.000 -13.343 7.194 1.00 22.32 C ATOM 1437 CG GLN A 95 -3.667 -13.723 7.808 1.00 60.44 C ATOM 1438 CD GLN A 95 -3.040 -14.933 7.144 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -2.277 -14.805 6.186 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -3.362 -16.119 7.649 1.00 12.52 N ATOM 0 H GLN A 95 -6.567 -11.638 5.493 1.00 30.14 H new ATOM 0 HA GLN A 95 -5.063 -11.367 8.005 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -5.807 -13.720 7.823 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -5.100 -13.827 6.222 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -2.983 -12.878 7.733 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -3.806 -13.928 8.870 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -3.998 -16.179 8.444 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -2.973 -16.969 7.242 1.00 12.52 H new ATOM 1449 N PRO A 96 -4.116 -9.995 5.815 1.00 24.22 N ATOM 1450 CA PRO A 96 -3.135 -9.313 4.966 1.00 41.01 C ATOM 1451 C PRO A 96 -1.700 -9.696 5.294 1.00 1.53 C ATOM 1452 O PRO A 96 -1.449 -10.525 6.168 1.00 11.13 O ATOM 1453 CB PRO A 96 -3.348 -7.854 5.335 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.788 -7.758 5.675 1.00 12.13 C ATOM 1455 CD PRO A 96 -5.170 -9.075 6.279 1.00 13.13 C ATOM 0 HA PRO A 96 -3.271 -9.559 3.913 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.722 -7.563 6.178 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -3.092 -7.194 4.506 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.968 -6.943 6.376 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -5.384 -7.551 4.786 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -5.203 -9.021 7.367 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -6.157 -9.397 5.946 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.751 -9.059 4.617 1.00 3.32 N ATOM 1464 CA VAL A 97 0.643 -9.318 4.874 1.00 62.24 C ATOM 1465 C VAL A 97 1.256 -8.144 5.608 1.00 12.14 C ATOM 1466 O VAL A 97 1.883 -7.277 4.999 1.00 15.12 O ATOM 1467 CB VAL A 97 1.428 -9.578 3.580 1.00 14.00 C ATOM 1468 CG1 VAL A 97 2.841 -10.036 3.906 1.00 44.42 C ATOM 1469 CG2 VAL A 97 0.704 -10.602 2.716 1.00 64.03 C ATOM 0 H VAL A 97 -0.930 -8.365 3.891 1.00 3.32 H new ATOM 0 HA VAL A 97 0.702 -10.217 5.488 1.00 62.24 H new ATOM 0 HB VAL A 97 1.494 -8.649 3.014 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.387 -10.217 2.980 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.350 -9.264 4.483 1.00 44.42 H new ATOM 0 HG13 VAL A 97 2.800 -10.956 4.489 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.273 -10.775 1.803 1.00 64.03 H new ATOM 0 HG22 VAL A 97 0.607 -11.538 3.266 1.00 64.03 H new ATOM 0 HG23 VAL A 97 -0.287 -10.227 2.460 1.00 64.03 H new ATOM 1479 N THR A 98 1.062 -8.118 6.923 1.00 41.44 N ATOM 1480 CA THR A 98 1.604 -7.051 7.748 1.00 64.43 C ATOM 1481 C THR A 98 3.119 -7.055 7.640 1.00 21.02 C ATOM 1482 O THR A 98 3.748 -8.113 7.659 1.00 30.03 O ATOM 1483 CB THR A 98 1.165 -7.219 9.201 1.00 34.02 C ATOM 1484 OG1 THR A 98 1.787 -6.252 10.029 1.00 24.31 O ATOM 1485 CG2 THR A 98 1.482 -8.585 9.770 1.00 50.13 C ATOM 0 H THR A 98 0.534 -8.824 7.437 1.00 41.44 H new ATOM 0 HA THR A 98 1.223 -6.093 7.394 1.00 64.43 H new ATOM 0 HB THR A 98 0.083 -7.092 9.191 1.00 34.02 H new ATOM 0 HG1 THR A 98 1.491 -6.376 10.955 1.00 24.31 H new ATOM 0 HG21 THR A 98 1.143 -8.636 10.805 1.00 50.13 H new ATOM 0 HG22 THR A 98 0.973 -9.350 9.184 1.00 50.13 H new ATOM 0 HG23 THR A 98 2.558 -8.754 9.732 1.00 50.13 H new ATOM 1493 N TYR A 99 3.698 -5.879 7.475 1.00 11.02 N ATOM 1494 CA TYR A 99 5.134 -5.769 7.305 1.00 35.40 C ATOM 1495 C TYR A 99 5.705 -4.558 8.035 1.00 21.30 C ATOM 1496 O TYR A 99 4.972 -3.790 8.653 1.00 23.13 O ATOM 1497 CB TYR A 99 5.438 -5.680 5.811 1.00 10.30 C ATOM 1498 CG TYR A 99 6.265 -6.830 5.294 1.00 52.22 C ATOM 1499 CD1 TYR A 99 5.656 -8.017 4.902 1.00 32.43 C ATOM 1500 CD2 TYR A 99 7.647 -6.737 5.198 1.00 4.22 C ATOM 1501 CE1 TYR A 99 6.403 -9.079 4.429 1.00 14.41 C ATOM 1502 CE2 TYR A 99 8.401 -7.794 4.725 1.00 35.13 C ATOM 1503 CZ TYR A 99 7.775 -8.962 4.342 1.00 52.53 C ATOM 1504 OH TYR A 99 8.523 -10.016 3.871 1.00 43.14 O ATOM 0 H TYR A 99 3.197 -4.990 7.455 1.00 11.02 H new ATOM 0 HA TYR A 99 5.607 -6.650 7.739 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.499 -5.642 5.259 1.00 10.30 H new ATOM 0 HB3 TYR A 99 5.964 -4.746 5.611 1.00 10.30 H new ATOM 0 HD1 TYR A 99 4.582 -8.110 4.968 1.00 32.43 H new ATOM 0 HD2 TYR A 99 8.140 -5.824 5.498 1.00 4.22 H new ATOM 0 HE1 TYR A 99 5.916 -9.995 4.129 1.00 14.41 H new ATOM 0 HE2 TYR A 99 9.475 -7.706 4.656 1.00 35.13 H new ATOM 0 HH TYR A 99 9.472 -9.770 3.872 1.00 43.14 H new ATOM 1514 N SER A 100 7.021 -4.395 7.949 1.00 31.31 N ATOM 1515 CA SER A 100 7.697 -3.275 8.591 1.00 32.14 C ATOM 1516 C SER A 100 7.955 -2.161 7.583 1.00 23.31 C ATOM 1517 O SER A 100 7.927 -0.979 7.927 1.00 62.10 O ATOM 1518 CB SER A 100 9.018 -3.736 9.212 1.00 40.51 C ATOM 1519 OG SER A 100 9.780 -2.631 9.668 1.00 1.21 O ATOM 0 H SER A 100 7.641 -5.025 7.440 1.00 31.31 H new ATOM 0 HA SER A 100 7.052 -2.890 9.381 1.00 32.14 H new ATOM 0 HB2 SER A 100 8.817 -4.411 10.044 1.00 40.51 H new ATOM 0 HB3 SER A 100 9.592 -4.299 8.476 1.00 40.51 H new ATOM 0 HG SER A 100 10.618 -2.952 10.062 1.00 1.21 H new ATOM 1525 N GLY A 101 8.197 -2.549 6.335 1.00 13.00 N ATOM 1526 CA GLY A 101 8.447 -1.575 5.289 1.00 32.02 C ATOM 1527 C GLY A 101 9.921 -1.270 5.109 1.00 62.13 C ATOM 1528 O GLY A 101 10.600 -0.871 6.055 1.00 15.31 O ATOM 0 H GLY A 101 8.224 -3.522 6.029 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.040 -1.947 4.348 1.00 32.02 H new ATOM 0 HA3 GLY A 101 7.916 -0.652 5.524 1.00 32.02 H new ATOM 1532 N SER A 102 10.413 -1.452 3.887 1.00 50.31 N ATOM 1533 CA SER A 102 11.811 -1.187 3.577 1.00 71.21 C ATOM 1534 C SER A 102 11.920 -0.097 2.519 1.00 63.42 C ATOM 1535 O SER A 102 10.912 0.455 2.080 1.00 24.21 O ATOM 1536 CB SER A 102 12.500 -2.462 3.088 1.00 23.50 C ATOM 1537 OG SER A 102 13.849 -2.510 3.518 1.00 75.23 O ATOM 0 H SER A 102 9.862 -1.783 3.095 1.00 50.31 H new ATOM 0 HA SER A 102 12.308 -0.847 4.486 1.00 71.21 H new ATOM 0 HB2 SER A 102 11.965 -3.335 3.462 1.00 23.50 H new ATOM 0 HB3 SER A 102 12.460 -2.506 2.000 1.00 23.50 H new ATOM 0 HG SER A 102 14.266 -3.335 3.194 1.00 75.23 H new ATOM 1543 N ARG A 103 13.144 0.209 2.110 1.00 13.43 N ATOM 1544 CA ARG A 103 13.372 1.235 1.101 1.00 74.42 C ATOM 1545 C ARG A 103 13.752 0.605 -0.235 1.00 52.14 C ATOM 1546 O ARG A 103 14.766 0.962 -0.834 1.00 2.14 O ATOM 1547 CB ARG A 103 14.471 2.195 1.561 1.00 32.55 C ATOM 1548 CG ARG A 103 15.834 1.537 1.703 1.00 62.25 C ATOM 1549 CD ARG A 103 16.612 2.108 2.878 1.00 24.05 C ATOM 1550 NE ARG A 103 17.321 1.070 3.621 1.00 31.04 N ATOM 1551 CZ ARG A 103 18.381 0.415 3.152 1.00 1.13 C ATOM 1552 NH1 ARG A 103 18.857 0.687 1.943 1.00 72.31 N ATOM 1553 NH2 ARG A 103 18.967 -0.514 3.894 1.00 73.50 N ATOM 0 H ARG A 103 13.992 -0.237 2.460 1.00 13.43 H new ATOM 0 HA ARG A 103 12.446 1.794 0.967 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.546 3.016 0.848 1.00 32.55 H new ATOM 0 HB3 ARG A 103 14.185 2.629 2.519 1.00 32.55 H new ATOM 0 HG2 ARG A 103 15.708 0.463 1.837 1.00 62.25 H new ATOM 0 HG3 ARG A 103 16.404 1.679 0.785 1.00 62.25 H new ATOM 0 HD2 ARG A 103 17.327 2.846 2.515 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.927 2.629 3.547 1.00 24.05 H new ATOM 0 HE ARG A 103 16.984 0.833 4.554 1.00 31.04 H new ATOM 0 HH11 ARG A 103 18.410 1.401 1.368 1.00 72.31 H new ATOM 0 HH12 ARG A 103 19.669 0.182 1.589 1.00 72.31 H new ATOM 0 HH21 ARG A 103 18.606 -0.727 4.824 1.00 73.50 H new ATOM 0 HH22 ARG A 103 19.779 -1.016 3.535 1.00 73.50 H new ATOM 1567 N THR A 104 12.933 -0.336 -0.699 1.00 51.13 N ATOM 1568 CA THR A 104 13.198 -1.008 -1.966 1.00 63.43 C ATOM 1569 C THR A 104 11.904 -1.318 -2.714 1.00 10.52 C ATOM 1570 O THR A 104 10.966 -1.885 -2.154 1.00 43.31 O ATOM 1571 CB THR A 104 13.987 -2.295 -1.727 1.00 53.32 C ATOM 1572 OG1 THR A 104 14.343 -2.901 -2.957 1.00 61.20 O ATOM 1573 CG2 THR A 104 13.227 -3.319 -0.915 1.00 35.33 C ATOM 0 H THR A 104 12.088 -0.648 -0.221 1.00 51.13 H new ATOM 0 HA THR A 104 13.791 -0.333 -2.584 1.00 63.43 H new ATOM 0 HB THR A 104 14.871 -1.992 -1.166 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.849 -3.722 -2.783 1.00 61.20 H new ATOM 0 HG21 THR A 104 13.843 -4.208 -0.782 1.00 35.33 H new ATOM 0 HG22 THR A 104 12.980 -2.899 0.060 1.00 35.33 H new ATOM 0 HG23 THR A 104 12.309 -3.589 -1.437 1.00 35.33 H new ATOM 1581 N VAL A 105 11.868 -0.936 -3.985 1.00 53.23 N ATOM 1582 CA VAL A 105 10.701 -1.161 -4.830 1.00 31.22 C ATOM 1583 C VAL A 105 10.654 -2.595 -5.353 1.00 4.43 C ATOM 1584 O VAL A 105 9.580 -3.143 -5.599 1.00 4.43 O ATOM 1585 CB VAL A 105 10.699 -0.201 -6.034 1.00 25.14 C ATOM 1586 CG1 VAL A 105 9.405 -0.334 -6.816 1.00 41.23 C ATOM 1587 CG2 VAL A 105 10.919 1.235 -5.581 1.00 12.42 C ATOM 0 H VAL A 105 12.640 -0.465 -4.456 1.00 53.23 H new ATOM 0 HA VAL A 105 9.825 -0.977 -4.208 1.00 31.22 H new ATOM 0 HB VAL A 105 11.524 -0.473 -6.693 1.00 25.14 H new ATOM 0 HG11 VAL A 105 9.420 0.351 -7.663 1.00 41.23 H new ATOM 0 HG12 VAL A 105 9.302 -1.357 -7.178 1.00 41.23 H new ATOM 0 HG13 VAL A 105 8.562 -0.092 -6.169 1.00 41.23 H new ATOM 0 HG21 VAL A 105 10.914 1.895 -6.448 1.00 12.42 H new ATOM 0 HG22 VAL A 105 10.122 1.527 -4.898 1.00 12.42 H new ATOM 0 HG23 VAL A 105 11.880 1.313 -5.072 1.00 12.42 H new ATOM 1597 N GLU A 106 11.824 -3.191 -5.532 1.00 21.14 N ATOM 1598 CA GLU A 106 11.921 -4.555 -6.038 1.00 34.33 C ATOM 1599 C GLU A 106 11.258 -5.531 -5.082 1.00 74.15 C ATOM 1600 O GLU A 106 10.634 -6.511 -5.499 1.00 5.20 O ATOM 1601 CB GLU A 106 13.386 -4.935 -6.229 1.00 44.31 C ATOM 1602 CG GLU A 106 14.237 -3.795 -6.752 1.00 51.44 C ATOM 1603 CD GLU A 106 15.053 -4.179 -7.971 1.00 53.01 C ATOM 1604 OE1 GLU A 106 14.446 -4.450 -9.029 1.00 0.23 O ATOM 1605 OE2 GLU A 106 16.297 -4.209 -7.868 1.00 13.12 O ATOM 0 H GLU A 106 12.723 -2.751 -5.334 1.00 21.14 H new ATOM 0 HA GLU A 106 11.406 -4.604 -6.997 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.793 -5.276 -5.277 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.449 -5.774 -6.922 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.592 -2.953 -7.003 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.909 -3.458 -5.963 1.00 51.44 H new ATOM 1612 N ASP A 107 11.383 -5.245 -3.796 1.00 22.20 N ATOM 1613 CA ASP A 107 10.787 -6.088 -2.774 1.00 22.14 C ATOM 1614 C ASP A 107 9.285 -5.881 -2.754 1.00 30.35 C ATOM 1615 O ASP A 107 8.528 -6.770 -2.368 1.00 45.13 O ATOM 1616 CB ASP A 107 11.381 -5.778 -1.400 1.00 34.21 C ATOM 1617 CG ASP A 107 11.175 -6.909 -0.412 1.00 23.23 C ATOM 1618 OD1 ASP A 107 11.095 -8.075 -0.853 1.00 53.32 O ATOM 1619 OD2 ASP A 107 11.092 -6.630 0.802 1.00 52.13 O ATOM 0 H ASP A 107 11.891 -4.437 -3.436 1.00 22.20 H new ATOM 0 HA ASP A 107 11.004 -7.130 -3.010 1.00 22.14 H new ATOM 0 HB2 ASP A 107 12.448 -5.581 -1.505 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.926 -4.869 -1.007 1.00 34.21 H new ATOM 1624 N LEU A 108 8.863 -4.698 -3.190 1.00 13.14 N ATOM 1625 CA LEU A 108 7.449 -4.363 -3.238 1.00 21.53 C ATOM 1626 C LEU A 108 6.754 -5.155 -4.323 1.00 44.54 C ATOM 1627 O LEU A 108 5.712 -5.767 -4.095 1.00 54.12 O ATOM 1628 CB LEU A 108 7.272 -2.873 -3.484 1.00 44.23 C ATOM 1629 CG LEU A 108 7.253 -2.026 -2.218 1.00 32.01 C ATOM 1630 CD1 LEU A 108 7.077 -0.558 -2.560 1.00 11.13 C ATOM 1631 CD2 LEU A 108 6.151 -2.498 -1.280 1.00 1.34 C ATOM 0 H LEU A 108 9.483 -3.956 -3.515 1.00 13.14 H new ATOM 0 HA LEU A 108 6.999 -4.619 -2.279 1.00 21.53 H new ATOM 0 HB2 LEU A 108 8.079 -2.525 -4.128 1.00 44.23 H new ATOM 0 HB3 LEU A 108 6.340 -2.715 -4.027 1.00 44.23 H new ATOM 0 HG LEU A 108 8.210 -2.143 -1.709 1.00 32.01 H new ATOM 0 HD11 LEU A 108 7.066 0.031 -1.643 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.903 -0.230 -3.192 1.00 11.13 H new ATOM 0 HD13 LEU A 108 6.136 -0.419 -3.092 1.00 11.13 H new ATOM 0 HD21 LEU A 108 6.151 -1.883 -0.380 1.00 1.34 H new ATOM 0 HD22 LEU A 108 5.186 -2.411 -1.779 1.00 1.34 H new ATOM 0 HD23 LEU A 108 6.326 -3.539 -1.008 1.00 1.34 H new ATOM 1643 N ILE A 109 7.348 -5.167 -5.504 1.00 64.31 N ATOM 1644 CA ILE A 109 6.790 -5.919 -6.609 1.00 13.12 C ATOM 1645 C ILE A 109 6.628 -7.376 -6.187 1.00 1.02 C ATOM 1646 O ILE A 109 5.536 -7.944 -6.266 1.00 62.41 O ATOM 1647 CB ILE A 109 7.691 -5.826 -7.856 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.744 -4.383 -8.363 1.00 63.20 C ATOM 1649 CG2 ILE A 109 7.200 -6.759 -8.954 1.00 5.30 C ATOM 1650 CD1 ILE A 109 9.118 -3.959 -8.833 1.00 65.14 C ATOM 0 H ILE A 109 8.211 -4.667 -5.719 1.00 64.31 H new ATOM 0 HA ILE A 109 5.819 -5.497 -6.868 1.00 13.12 H new ATOM 0 HB ILE A 109 8.697 -6.137 -7.575 1.00 55.13 H new ATOM 0 HG12 ILE A 109 7.036 -4.268 -9.184 1.00 63.20 H new ATOM 0 HG13 ILE A 109 7.419 -3.714 -7.566 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.853 -6.674 -9.823 1.00 5.30 H new ATOM 0 HG22 ILE A 109 7.211 -7.787 -8.590 1.00 5.30 H new ATOM 0 HG23 ILE A 109 6.183 -6.485 -9.236 1.00 5.30 H new ATOM 0 HD11 ILE A 109 9.082 -2.926 -9.178 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.826 -4.041 -8.008 1.00 65.14 H new ATOM 0 HD13 ILE A 109 9.438 -4.604 -9.651 1.00 65.14 H new ATOM 1662 N LYS A 110 7.717 -7.959 -5.690 1.00 11.50 N ATOM 1663 CA LYS A 110 7.693 -9.331 -5.214 1.00 41.30 C ATOM 1664 C LYS A 110 6.771 -9.442 -4.011 1.00 4.32 C ATOM 1665 O LYS A 110 6.313 -10.530 -3.660 1.00 2.43 O ATOM 1666 CB LYS A 110 9.103 -9.787 -4.839 1.00 41.03 C ATOM 1667 CG LYS A 110 9.720 -10.739 -5.849 1.00 60.41 C ATOM 1668 CD LYS A 110 9.660 -12.180 -5.369 1.00 43.44 C ATOM 1669 CE LYS A 110 10.590 -13.074 -6.172 1.00 44.51 C ATOM 1670 NZ LYS A 110 9.850 -13.877 -7.185 1.00 34.32 N ATOM 0 H LYS A 110 8.624 -7.499 -5.609 1.00 11.50 H new ATOM 0 HA LYS A 110 7.320 -9.975 -6.010 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.745 -8.912 -4.738 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.072 -10.274 -3.864 1.00 41.03 H new ATOM 0 HG2 LYS A 110 9.196 -10.650 -6.801 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.758 -10.458 -6.028 1.00 60.41 H new ATOM 0 HD2 LYS A 110 9.932 -12.225 -4.314 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.638 -12.550 -5.451 1.00 43.44 H new ATOM 0 HE2 LYS A 110 11.341 -12.462 -6.672 1.00 44.51 H new ATOM 0 HE3 LYS A 110 11.123 -13.743 -5.497 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 10.520 -14.474 -7.712 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 9.151 -14.480 -6.707 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 9.362 -13.238 -7.845 1.00 34.32 H new ATOM 1684 N PHE A 111 6.503 -8.302 -3.381 1.00 33.42 N ATOM 1685 CA PHE A 111 5.640 -8.260 -2.223 1.00 12.40 C ATOM 1686 C PHE A 111 4.228 -8.650 -2.602 1.00 40.41 C ATOM 1687 O PHE A 111 3.808 -9.777 -2.374 1.00 21.53 O ATOM 1688 CB PHE A 111 5.648 -6.866 -1.618 1.00 64.35 C ATOM 1689 CG PHE A 111 5.248 -6.817 -0.172 1.00 33.13 C ATOM 1690 CD1 PHE A 111 3.996 -7.258 0.225 1.00 12.22 C ATOM 1691 CD2 PHE A 111 6.113 -6.315 0.786 1.00 43.23 C ATOM 1692 CE1 PHE A 111 3.615 -7.202 1.551 1.00 2.32 C ATOM 1693 CE2 PHE A 111 5.737 -6.254 2.115 1.00 33.12 C ATOM 1694 CZ PHE A 111 4.486 -6.699 2.497 1.00 24.21 C ATOM 0 H PHE A 111 6.877 -7.395 -3.661 1.00 33.42 H new ATOM 0 HA PHE A 111 6.013 -8.971 -1.486 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.648 -6.444 -1.721 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.973 -6.230 -2.191 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.310 -7.650 -0.511 1.00 12.22 H new ATOM 0 HD2 PHE A 111 7.092 -5.967 0.492 1.00 43.23 H new ATOM 0 HE1 PHE A 111 2.637 -7.551 1.848 1.00 2.32 H new ATOM 0 HE2 PHE A 111 6.420 -5.859 2.853 1.00 33.12 H new ATOM 0 HZ PHE A 111 4.190 -6.653 3.535 1.00 24.21 H new ATOM 1704 N ILE A 112 3.509 -7.720 -3.215 1.00 71.40 N ATOM 1705 CA ILE A 112 2.149 -7.984 -3.651 1.00 72.10 C ATOM 1706 C ILE A 112 2.141 -9.064 -4.726 1.00 63.21 C ATOM 1707 O ILE A 112 1.086 -9.524 -5.150 1.00 61.34 O ATOM 1708 CB ILE A 112 1.472 -6.713 -4.208 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.879 -5.482 -3.391 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.041 -6.875 -4.210 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.885 -4.597 -4.094 1.00 24.14 C ATOM 0 H ILE A 112 3.845 -6.779 -3.420 1.00 71.40 H new ATOM 0 HA ILE A 112 1.588 -8.321 -2.779 1.00 72.10 H new ATOM 0 HB ILE A 112 1.806 -6.568 -5.235 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.988 -4.896 -3.163 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.297 -5.809 -2.439 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.503 -5.971 -4.605 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.315 -7.725 -4.834 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.390 -7.045 -3.192 1.00 72.03 H new ATOM 0 HD11 ILE A 112 3.127 -3.745 -3.458 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.791 -5.167 -4.298 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.462 -4.240 -5.033 1.00 24.14 H new ATOM 1723 N ALA A 113 3.332 -9.475 -5.151 1.00 65.34 N ATOM 1724 CA ALA A 113 3.453 -10.513 -6.182 1.00 25.50 C ATOM 1725 C ALA A 113 3.604 -11.895 -5.565 1.00 50.32 C ATOM 1726 O ALA A 113 3.324 -12.908 -6.206 1.00 62.32 O ATOM 1727 CB ALA A 113 4.618 -10.227 -7.114 1.00 31.51 C ATOM 0 H ALA A 113 4.221 -9.113 -4.805 1.00 65.34 H new ATOM 0 HA ALA A 113 2.531 -10.497 -6.764 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.683 -11.012 -7.867 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.464 -9.266 -7.605 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.544 -10.197 -6.540 1.00 31.51 H new ATOM 1733 N GLU A 114 4.023 -11.927 -4.310 1.00 22.41 N ATOM 1734 CA GLU A 114 4.186 -13.183 -3.586 1.00 51.43 C ATOM 1735 C GLU A 114 3.198 -13.204 -2.435 1.00 52.15 C ATOM 1736 O GLU A 114 2.757 -14.258 -1.975 1.00 3.41 O ATOM 1737 CB GLU A 114 5.616 -13.326 -3.061 1.00 23.01 C ATOM 1738 CG GLU A 114 6.670 -13.299 -4.156 1.00 60.52 C ATOM 1739 CD GLU A 114 7.448 -14.597 -4.252 1.00 52.03 C ATOM 1740 OE1 GLU A 114 8.304 -14.843 -3.376 1.00 21.42 O ATOM 1741 OE2 GLU A 114 7.201 -15.368 -5.204 1.00 33.21 O ATOM 0 H GLU A 114 4.258 -11.096 -3.768 1.00 22.41 H new ATOM 0 HA GLU A 114 3.995 -14.020 -4.258 1.00 51.43 H new ATOM 0 HB2 GLU A 114 5.817 -12.521 -2.354 1.00 23.01 H new ATOM 0 HB3 GLU A 114 5.700 -14.263 -2.510 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.189 -13.097 -5.113 1.00 60.52 H new ATOM 0 HG3 GLU A 114 7.362 -12.478 -3.968 1.00 60.52 H new ATOM 1748 N ASN A 115 2.852 -12.004 -2.002 1.00 45.32 N ATOM 1749 CA ASN A 115 1.918 -11.780 -0.938 1.00 63.32 C ATOM 1750 C ASN A 115 0.535 -11.576 -1.524 1.00 23.34 C ATOM 1751 O ASN A 115 -0.475 -11.932 -0.917 1.00 24.10 O ATOM 1752 CB ASN A 115 2.369 -10.543 -0.183 1.00 63.53 C ATOM 1753 CG ASN A 115 3.590 -10.821 0.661 1.00 20.43 C ATOM 1754 OD1 ASN A 115 3.504 -11.389 1.748 1.00 74.23 O ATOM 1755 ND2 ASN A 115 4.738 -10.435 0.139 1.00 70.42 N ATOM 0 H ASN A 115 3.229 -11.143 -2.398 1.00 45.32 H new ATOM 0 HA ASN A 115 1.879 -12.632 -0.260 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.590 -9.744 -0.891 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.558 -10.189 0.454 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.609 -10.604 0.641 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.755 -9.967 -0.767 1.00 70.42 H new ATOM 1762 N GLY A 116 0.505 -11.003 -2.726 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.744 -10.766 -3.391 1.00 0.40 C ATOM 1764 C GLY A 116 -1.282 -12.010 -4.059 1.00 4.13 C ATOM 1765 O GLY A 116 -0.536 -12.952 -4.323 1.00 12.25 O ATOM 0 H GLY A 116 1.331 -10.702 -3.243 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.474 -10.399 -2.669 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.613 -9.983 -4.138 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.573 -12.005 -4.357 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.203 -13.132 -5.029 1.00 65.20 C ATOM 1771 C LYS A 117 -3.121 -12.904 -6.519 1.00 20.51 C ATOM 1772 O LYS A 117 -2.968 -13.836 -7.308 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.663 -13.274 -4.608 1.00 72.12 C ATOM 1774 CG LYS A 117 -4.846 -13.490 -3.115 1.00 74.02 C ATOM 1775 CD LYS A 117 -6.316 -13.627 -2.743 1.00 64.42 C ATOM 1776 CE LYS A 117 -6.572 -14.888 -1.932 1.00 24.11 C ATOM 1777 NZ LYS A 117 -5.542 -15.089 -0.874 1.00 51.02 N ATOM 0 H LYS A 117 -3.205 -11.233 -4.144 1.00 30.14 H new ATOM 0 HA LYS A 117 -2.685 -14.051 -4.754 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.208 -12.378 -4.907 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.108 -14.112 -5.145 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -4.308 -14.387 -2.808 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -4.409 -12.654 -2.570 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -6.630 -12.755 -2.170 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -6.921 -13.647 -3.649 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -7.558 -14.829 -1.472 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -6.582 -15.751 -2.597 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -5.962 -15.606 -0.075 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -4.748 -15.637 -1.262 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -5.197 -14.165 -0.546 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.205 -11.635 -6.885 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.122 -11.229 -8.264 1.00 54.21 C ATOM 1793 C TYR A 118 -1.713 -11.484 -8.795 1.00 31.22 C ATOM 1794 O TYR A 118 -1.505 -11.609 -10.002 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.478 -9.749 -8.378 1.00 73.14 C ATOM 1796 CG TYR A 118 -4.862 -9.496 -8.929 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.111 -9.554 -10.294 1.00 31.41 C ATOM 1798 CD2 TYR A 118 -5.922 -9.199 -8.081 1.00 22.41 C ATOM 1799 CE1 TYR A 118 -6.378 -9.324 -10.798 1.00 61.32 C ATOM 1800 CE2 TYR A 118 -7.190 -8.968 -8.576 1.00 2.21 C ATOM 1801 CZ TYR A 118 -7.413 -9.031 -9.935 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.675 -8.802 -10.433 1.00 31.31 O ATOM 0 H TYR A 118 -3.332 -10.864 -6.229 1.00 41.14 H new ATOM 0 HA TYR A 118 -3.826 -11.809 -8.861 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.399 -9.289 -7.393 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -2.746 -9.257 -9.019 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.302 -9.782 -10.973 1.00 31.41 H new ATOM 0 HD2 TYR A 118 -5.751 -9.148 -7.016 1.00 22.41 H new ATOM 0 HE1 TYR A 118 -6.556 -9.374 -11.862 1.00 61.32 H new ATOM 0 HE2 TYR A 118 -8.003 -8.739 -7.902 1.00 2.21 H new ATOM 0 HH TYR A 118 -9.289 -8.611 -9.693 1.00 31.31 H new ATOM 1812 N LYS A 119 -0.747 -11.569 -7.876 1.00 14.21 N ATOM 1813 CA LYS A 119 0.641 -11.820 -8.240 1.00 21.52 C ATOM 1814 C LYS A 119 1.178 -10.734 -9.165 1.00 1.24 C ATOM 1815 O LYS A 119 1.873 -11.022 -10.140 1.00 32.33 O ATOM 1816 CB LYS A 119 0.778 -13.189 -8.907 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.172 -14.240 -8.353 1.00 41.10 C ATOM 1818 CD LYS A 119 -0.101 -14.310 -6.836 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.597 -15.650 -6.313 1.00 43.03 C ATOM 1820 NZ LYS A 119 -1.788 -16.138 -7.062 1.00 25.12 N ATOM 0 H LYS A 119 -0.906 -11.467 -6.874 1.00 14.21 H new ATOM 0 HA LYS A 119 1.231 -11.808 -7.324 1.00 21.52 H new ATOM 0 HB2 LYS A 119 0.601 -13.081 -9.977 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.803 -13.540 -8.787 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.192 -14.008 -8.660 1.00 41.10 H new ATOM 0 HG3 LYS A 119 0.075 -15.214 -8.775 1.00 41.10 H new ATOM 0 HD2 LYS A 119 0.927 -14.150 -6.512 1.00 73.22 H new ATOM 0 HD3 LYS A 119 -0.699 -13.507 -6.406 1.00 73.22 H new ATOM 0 HE2 LYS A 119 0.204 -16.386 -6.387 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -0.847 -15.556 -5.256 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 -2.320 -16.808 -6.470 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 -2.398 -15.332 -7.307 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 -1.479 -16.615 -7.933 1.00 25.12 H new ATOM 1834 N ALA A 120 0.859 -9.485 -8.851 1.00 74.40 N ATOM 1835 CA ALA A 120 1.320 -8.359 -9.653 1.00 54.30 C ATOM 1836 C ALA A 120 2.840 -8.264 -9.630 1.00 30.52 C ATOM 1837 O ALA A 120 3.424 -7.730 -8.688 1.00 33.35 O ATOM 1838 CB ALA A 120 0.703 -7.066 -9.149 1.00 64.55 C ATOM 0 H ALA A 120 0.284 -9.226 -8.049 1.00 74.40 H new ATOM 0 HA ALA A 120 1.004 -8.521 -10.683 1.00 54.30 H new ATOM 0 HB1 ALA A 120 1.056 -6.233 -9.757 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -0.383 -7.130 -9.217 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.993 -6.905 -8.111 1.00 64.55 H new ATOM 1844 N ALA A 121 3.476 -8.780 -10.676 1.00 10.42 N ATOM 1845 CA ALA A 121 4.929 -8.751 -10.779 1.00 22.33 C ATOM 1846 C ALA A 121 5.377 -8.774 -12.237 1.00 32.25 C ATOM 1847 O ALA A 121 5.057 -9.758 -12.937 1.00 52.14 O ATOM 1848 CB ALA A 121 5.534 -9.922 -10.017 1.00 73.22 C ATOM 1849 OXT ALA A 121 6.043 -7.809 -12.666 1.00 38.03 O ATOM 0 H ALA A 121 3.007 -9.224 -11.465 1.00 10.42 H new ATOM 0 HA ALA A 121 5.283 -7.821 -10.334 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.620 -9.889 -10.102 1.00 73.22 H new ATOM 0 HB2 ALA A 121 5.250 -9.858 -8.967 1.00 73.22 H new ATOM 0 HB3 ALA A 121 5.166 -10.858 -10.436 1.00 73.22 H new TER 1855 ALA A 121