USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1047 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 120 SER OG : rot -62:sc= 0.0329 USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.168 USER MOD Set 2.1: A 114 THR OG1 : rot -13:sc= -0.0692! USER MOD Set 2.2: A 125 THR OG1 : rot 57:sc= 0.359 USER MOD Set 3.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 92 HIS : no HE2:sc= -5.07! C(o=-5.1!,f=-6!) USER MOD Set 4.1: A 67 CYS SG : rot -89:sc= -2.12! USER MOD Set 4.2: A 71 HIS : no HD1:sc= -5.92! C(o=-9.7!,f=-17!) USER MOD Set 4.3: A 90 SER OG : rot 158:sc= -2.55! USER MOD Set 4.4: A 94 THR OG1 : rot 96:sc= 0.907 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0358 (180deg=-0.347) USER MOD Single : A 6 ASN : amide:sc= -1.63! C(o=-1.6!,f=-8.8!) USER MOD Single : A 7 SER OG : rot 21:sc= 0.0594 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 13:sc= 0.574 USER MOD Single : A 18 THR OG1 : rot -38:sc= 0.266 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -2.16 F(o=-3.9!,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc=-0.00914 (180deg=-0.0522) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -4.25! (180deg=-6.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.67) USER MOD Single : A 58 CYS SG : rot 133:sc= -2.92! USER MOD Single : A 61 THR OG1 : rot 48:sc= 0.00766 USER MOD Single : A 64 HIS : no HD1:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.606 USER MOD Single : A 76 TYR OH : rot -30:sc= -2.66 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -5.74! C(o=-9.1!,f=-5.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -2.24! C(o=-3.5!,f=-2.2!) USER MOD Single : A 98 HIS :FLIP no HE2:sc= -0.82 F(o=-2!,f=-0.82) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -2.68! C(o=-3.5!,f=-2.7!) USER MOD Single : A 105 LYS NZ :NH3+ 151:sc= 0.267 (180deg=-0.976!) USER MOD Single : A 107 GLN : amide:sc= -2.14 X(o=-2.1,f=-2) USER MOD Single : A 108 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.11) USER MOD Single : A 113 SER OG : rot 100:sc= -2.15! USER MOD Single : A 116 SER OG : rot 19:sc= 0.398! USER MOD Single : A 121 THR OG1 : rot -28:sc= 0.125 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc=-0.00373 K(o=-0.0037,f=-1.1) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.373 -8.654 0.126 1.00 2.42 N ATOM 2 CA MET A 1 10.774 -9.471 1.167 1.00 14.34 C ATOM 3 C MET A 1 9.306 -9.094 1.383 1.00 63.41 C ATOM 4 O MET A 1 8.788 -9.213 2.492 1.00 74.41 O ATOM 5 CB MET A 1 11.547 -9.281 2.474 1.00 34.11 C ATOM 6 CG MET A 1 12.842 -10.095 2.468 1.00 63.05 C ATOM 7 SD MET A 1 13.605 -10.042 4.081 1.00 74.04 S ATOM 8 CE MET A 1 15.318 -10.234 3.620 1.00 24.21 C ATOM 0 H1 MET A 1 12.408 -8.742 0.168 1.00 2.42 H new ATOM 0 H2 MET A 1 11.036 -8.975 -0.804 1.00 2.42 H new ATOM 0 H3 MET A 1 11.104 -7.659 0.267 1.00 2.42 H new ATOM 0 HA MET A 1 10.820 -10.515 0.855 1.00 14.34 H new ATOM 0 HB2 MET A 1 11.778 -8.225 2.614 1.00 34.11 H new ATOM 0 HB3 MET A 1 10.925 -9.586 3.316 1.00 34.11 H new ATOM 0 HG2 MET A 1 12.631 -11.128 2.191 1.00 63.05 H new ATOM 0 HG3 MET A 1 13.527 -9.698 1.719 1.00 63.05 H new ATOM 0 HE1 MET A 1 15.939 -10.223 4.516 1.00 24.21 H new ATOM 0 HE2 MET A 1 15.450 -11.182 3.098 1.00 24.21 H new ATOM 0 HE3 MET A 1 15.612 -9.415 2.964 1.00 24.21 H new ATOM 18 N ALA A 2 8.679 -8.648 0.305 1.00 54.11 N ATOM 19 CA ALA A 2 7.281 -8.253 0.362 1.00 23.51 C ATOM 20 C ALA A 2 6.455 -9.191 -0.520 1.00 34.42 C ATOM 21 O ALA A 2 7.004 -9.916 -1.348 1.00 25.13 O ATOM 22 CB ALA A 2 7.147 -6.789 -0.058 1.00 54.51 C ATOM 0 H ALA A 2 9.113 -8.551 -0.613 1.00 54.11 H new ATOM 0 HA ALA A 2 6.899 -8.336 1.380 1.00 23.51 H new ATOM 0 HB1 ALA A 2 6.099 -6.493 -0.015 1.00 54.51 H new ATOM 0 HB2 ALA A 2 7.729 -6.162 0.617 1.00 54.51 H new ATOM 0 HB3 ALA A 2 7.517 -6.667 -1.076 1.00 54.51 H new ATOM 28 N ALA A 3 5.147 -9.147 -0.312 1.00 72.23 N ATOM 29 CA ALA A 3 4.239 -9.984 -1.078 1.00 52.02 C ATOM 30 C ALA A 3 4.345 -9.620 -2.561 1.00 32.45 C ATOM 31 O ALA A 3 4.711 -8.497 -2.903 1.00 64.42 O ATOM 32 CB ALA A 3 2.816 -9.822 -0.538 1.00 44.53 C ATOM 0 H ALA A 3 4.694 -8.545 0.376 1.00 72.23 H new ATOM 0 HA ALA A 3 4.508 -11.035 -0.976 1.00 52.02 H new ATOM 0 HB1 ALA A 3 2.135 -10.450 -1.113 1.00 44.53 H new ATOM 0 HB2 ALA A 3 2.788 -10.121 0.510 1.00 44.53 H new ATOM 0 HB3 ALA A 3 2.510 -8.780 -0.626 1.00 44.53 H new ATOM 38 N ALA A 4 4.017 -10.592 -3.400 1.00 42.41 N ATOM 39 CA ALA A 4 4.071 -10.388 -4.838 1.00 0.12 C ATOM 40 C ALA A 4 3.380 -11.558 -5.541 1.00 23.35 C ATOM 41 O ALA A 4 3.907 -12.669 -5.567 1.00 63.42 O ATOM 42 CB ALA A 4 5.528 -10.222 -5.276 1.00 34.31 C ATOM 0 H ALA A 4 3.713 -11.522 -3.112 1.00 42.41 H new ATOM 0 HA ALA A 4 3.541 -9.477 -5.117 1.00 0.12 H new ATOM 0 HB1 ALA A 4 5.569 -10.069 -6.354 1.00 34.31 H new ATOM 0 HB2 ALA A 4 5.964 -9.360 -4.771 1.00 34.31 H new ATOM 0 HB3 ALA A 4 6.091 -11.118 -5.015 1.00 34.31 H new ATOM 48 N VAL A 5 2.211 -11.269 -6.092 1.00 41.14 N ATOM 49 CA VAL A 5 1.443 -12.284 -6.793 1.00 53.54 C ATOM 50 C VAL A 5 1.478 -11.996 -8.296 1.00 21.42 C ATOM 51 O VAL A 5 0.449 -11.695 -8.898 1.00 71.23 O ATOM 52 CB VAL A 5 0.022 -12.346 -6.230 1.00 55.11 C ATOM 53 CG1 VAL A 5 -0.781 -13.468 -6.891 1.00 32.43 C ATOM 54 CG2 VAL A 5 0.042 -12.508 -4.709 1.00 15.02 C ATOM 0 H VAL A 5 1.777 -10.346 -6.067 1.00 41.14 H new ATOM 0 HA VAL A 5 1.883 -13.270 -6.640 1.00 53.54 H new ATOM 0 HB VAL A 5 -0.471 -11.402 -6.460 1.00 55.11 H new ATOM 0 HG11 VAL A 5 -1.787 -13.490 -6.473 1.00 32.43 H new ATOM 0 HG12 VAL A 5 -0.838 -13.291 -7.965 1.00 32.43 H new ATOM 0 HG13 VAL A 5 -0.290 -14.424 -6.707 1.00 32.43 H new ATOM 0 HG21 VAL A 5 -0.981 -12.549 -4.334 1.00 15.02 H new ATOM 0 HG22 VAL A 5 0.562 -13.430 -4.448 1.00 15.02 H new ATOM 0 HG23 VAL A 5 0.559 -11.660 -4.260 1.00 15.02 H new ATOM 64 N ASN A 6 2.674 -12.100 -8.858 1.00 35.03 N ATOM 65 CA ASN A 6 2.857 -11.855 -10.278 1.00 74.32 C ATOM 66 C ASN A 6 3.716 -12.971 -10.877 1.00 13.11 C ATOM 67 O ASN A 6 4.877 -13.133 -10.504 1.00 74.13 O ATOM 68 CB ASN A 6 3.573 -10.525 -10.520 1.00 61.41 C ATOM 69 CG ASN A 6 3.849 -10.314 -12.010 1.00 71.21 C ATOM 70 OD1 ASN A 6 3.773 -11.226 -12.817 1.00 41.13 O ATOM 71 ND2 ASN A 6 4.172 -9.064 -12.329 1.00 24.15 N ATOM 0 H ASN A 6 3.525 -12.351 -8.355 1.00 35.03 H new ATOM 0 HA ASN A 6 1.872 -11.824 -10.745 1.00 74.32 H new ATOM 0 HB2 ASN A 6 2.963 -9.705 -10.140 1.00 61.41 H new ATOM 0 HB3 ASN A 6 4.512 -10.507 -9.967 1.00 61.41 H new ATOM 0 HD21 ASN A 6 4.374 -8.821 -13.299 1.00 24.15 H new ATOM 0 HD22 ASN A 6 4.218 -8.348 -11.604 1.00 24.15 H new ATOM 78 N SER A 7 3.112 -13.711 -11.795 1.00 72.00 N ATOM 79 CA SER A 7 3.807 -14.807 -12.449 1.00 1.31 C ATOM 80 C SER A 7 4.146 -14.425 -13.891 1.00 44.41 C ATOM 81 O SER A 7 3.302 -13.895 -14.612 1.00 1.32 O ATOM 82 CB SER A 7 2.968 -16.086 -12.422 1.00 52.42 C ATOM 83 OG SER A 7 1.722 -15.921 -13.094 1.00 41.24 O ATOM 0 H SER A 7 2.149 -13.573 -12.102 1.00 72.00 H new ATOM 0 HA SER A 7 4.731 -15.000 -11.904 1.00 1.31 H new ATOM 0 HB2 SER A 7 3.527 -16.897 -12.889 1.00 52.42 H new ATOM 0 HB3 SER A 7 2.786 -16.379 -11.388 1.00 52.42 H new ATOM 0 HG SER A 7 1.779 -15.159 -13.707 1.00 41.24 H new ATOM 89 N GLY A 8 5.384 -14.708 -14.269 1.00 61.50 N ATOM 90 CA GLY A 8 5.846 -14.401 -15.612 1.00 74.22 C ATOM 91 C GLY A 8 6.725 -13.149 -15.617 1.00 13.01 C ATOM 92 O GLY A 8 6.395 -12.153 -14.975 1.00 43.54 O ATOM 0 H GLY A 8 6.082 -15.147 -13.668 1.00 61.50 H new ATOM 0 HA2 GLY A 8 6.409 -15.246 -16.009 1.00 74.22 H new ATOM 0 HA3 GLY A 8 4.990 -14.251 -16.270 1.00 74.22 H new ATOM 96 N SER A 9 7.826 -13.241 -16.348 1.00 1.24 N ATOM 97 CA SER A 9 8.755 -12.128 -16.444 1.00 41.32 C ATOM 98 C SER A 9 8.036 -10.892 -16.990 1.00 64.34 C ATOM 99 O SER A 9 7.300 -10.981 -17.972 1.00 24.11 O ATOM 100 CB SER A 9 9.949 -12.483 -17.332 1.00 5.30 C ATOM 101 OG SER A 9 9.549 -12.806 -18.661 1.00 24.41 O ATOM 0 H SER A 9 8.096 -14.069 -16.879 1.00 1.24 H new ATOM 0 HA SER A 9 9.132 -11.909 -15.445 1.00 41.32 H new ATOM 0 HB2 SER A 9 10.644 -11.644 -17.357 1.00 5.30 H new ATOM 0 HB3 SER A 9 10.484 -13.328 -16.899 1.00 5.30 H new ATOM 0 HG SER A 9 10.340 -13.025 -19.197 1.00 24.41 H new ATOM 107 N SER A 10 8.275 -9.768 -16.331 1.00 21.44 N ATOM 108 CA SER A 10 7.660 -8.517 -16.738 1.00 11.54 C ATOM 109 C SER A 10 8.741 -7.493 -17.091 1.00 73.04 C ATOM 110 O SER A 10 9.932 -7.782 -16.989 1.00 71.20 O ATOM 111 CB SER A 10 6.749 -7.968 -15.638 1.00 54.31 C ATOM 112 OG SER A 10 7.482 -7.264 -14.639 1.00 33.00 O ATOM 0 H SER A 10 8.886 -9.698 -15.518 1.00 21.44 H new ATOM 0 HA SER A 10 7.047 -8.708 -17.619 1.00 11.54 H new ATOM 0 HB2 SER A 10 6.008 -7.302 -16.080 1.00 54.31 H new ATOM 0 HB3 SER A 10 6.203 -8.790 -15.175 1.00 54.31 H new ATOM 0 HG SER A 10 6.865 -6.928 -13.956 1.00 33.00 H new ATOM 118 N LEU A 11 8.286 -6.318 -17.500 1.00 43.43 N ATOM 119 CA LEU A 11 9.200 -5.249 -17.870 1.00 34.52 C ATOM 120 C LEU A 11 9.809 -4.645 -16.603 1.00 40.44 C ATOM 121 O LEU A 11 9.222 -4.729 -15.526 1.00 54.01 O ATOM 122 CB LEU A 11 8.494 -4.226 -18.762 1.00 62.21 C ATOM 123 CG LEU A 11 8.198 -4.676 -20.194 1.00 70.31 C ATOM 124 CD1 LEU A 11 9.473 -4.692 -21.039 1.00 24.02 C ATOM 125 CD2 LEU A 11 7.485 -6.030 -20.207 1.00 22.00 C ATOM 0 H LEU A 11 7.297 -6.082 -17.584 1.00 43.43 H new ATOM 0 HA LEU A 11 10.025 -5.640 -18.465 1.00 34.52 H new ATOM 0 HB2 LEU A 11 7.553 -3.948 -18.288 1.00 62.21 H new ATOM 0 HB3 LEU A 11 9.107 -3.326 -18.805 1.00 62.21 H new ATOM 0 HG LEU A 11 7.521 -3.951 -20.646 1.00 70.31 H new ATOM 0 HD11 LEU A 11 9.234 -5.015 -22.052 1.00 24.02 H new ATOM 0 HD12 LEU A 11 9.902 -3.690 -21.070 1.00 24.02 H new ATOM 0 HD13 LEU A 11 10.193 -5.382 -20.598 1.00 24.02 H new ATOM 0 HD21 LEU A 11 7.286 -6.327 -21.237 1.00 22.00 H new ATOM 0 HD22 LEU A 11 8.117 -6.779 -19.729 1.00 22.00 H new ATOM 0 HD23 LEU A 11 6.543 -5.950 -19.664 1.00 22.00 H new ATOM 137 N PRO A 12 11.010 -4.032 -16.780 1.00 25.22 N ATOM 138 CA PRO A 12 11.706 -3.413 -15.664 1.00 60.52 C ATOM 139 C PRO A 12 11.048 -2.088 -15.275 1.00 44.12 C ATOM 140 O PRO A 12 9.902 -1.829 -15.639 1.00 63.11 O ATOM 141 CB PRO A 12 13.141 -3.248 -16.138 1.00 32.31 C ATOM 142 CG PRO A 12 13.093 -3.350 -17.654 1.00 5.21 C ATOM 143 CD PRO A 12 11.736 -3.913 -18.041 1.00 71.02 C ATOM 0 HA PRO A 12 11.668 -4.016 -14.757 1.00 60.52 H new ATOM 0 HB2 PRO A 12 13.548 -2.287 -15.824 1.00 32.31 H new ATOM 0 HB3 PRO A 12 13.783 -4.020 -15.715 1.00 32.31 H new ATOM 0 HG2 PRO A 12 13.243 -2.370 -18.107 1.00 5.21 H new ATOM 0 HG3 PRO A 12 13.892 -3.996 -18.019 1.00 5.21 H new ATOM 0 HD2 PRO A 12 11.217 -3.253 -18.736 1.00 71.02 H new ATOM 0 HD3 PRO A 12 11.835 -4.880 -18.534 1.00 71.02 H new ATOM 151 N LEU A 13 11.802 -1.283 -14.541 1.00 23.23 N ATOM 152 CA LEU A 13 11.307 0.009 -14.099 1.00 1.35 C ATOM 153 C LEU A 13 12.065 1.119 -14.830 1.00 64.31 C ATOM 154 O LEU A 13 11.564 2.234 -14.964 1.00 4.14 O ATOM 155 CB LEU A 13 11.379 0.118 -12.574 1.00 73.41 C ATOM 156 CG LEU A 13 12.503 -0.670 -11.898 1.00 32.02 C ATOM 157 CD1 LEU A 13 12.258 -2.176 -12.006 1.00 25.42 C ATOM 158 CD2 LEU A 13 13.868 -0.269 -12.460 1.00 21.01 C ATOM 0 H LEU A 13 12.752 -1.501 -14.241 1.00 23.23 H new ATOM 0 HA LEU A 13 10.253 0.120 -14.355 1.00 1.35 H new ATOM 0 HB2 LEU A 13 11.489 1.170 -12.309 1.00 73.41 H new ATOM 0 HB3 LEU A 13 10.428 -0.217 -12.160 1.00 73.41 H new ATOM 0 HG LEU A 13 12.506 -0.420 -10.837 1.00 32.02 H new ATOM 0 HD11 LEU A 13 13.071 -2.713 -11.518 1.00 25.42 H new ATOM 0 HD12 LEU A 13 11.315 -2.427 -11.521 1.00 25.42 H new ATOM 0 HD13 LEU A 13 12.213 -2.463 -13.057 1.00 25.42 H new ATOM 0 HD21 LEU A 13 14.649 -0.844 -11.963 1.00 21.01 H new ATOM 0 HD22 LEU A 13 13.894 -0.471 -13.531 1.00 21.01 H new ATOM 0 HD23 LEU A 13 14.034 0.794 -12.288 1.00 21.01 H new ATOM 170 N PHE A 14 13.261 0.774 -15.285 1.00 20.31 N ATOM 171 CA PHE A 14 14.093 1.726 -16.000 1.00 4.45 C ATOM 172 C PHE A 14 15.342 1.047 -16.565 1.00 43.22 C ATOM 173 O PHE A 14 15.669 -0.076 -16.184 1.00 52.14 O ATOM 174 CB PHE A 14 14.521 2.793 -14.989 1.00 73.03 C ATOM 175 CG PHE A 14 15.768 3.577 -15.402 1.00 41.02 C ATOM 176 CD1 PHE A 14 17.003 3.117 -15.066 1.00 72.42 C ATOM 177 CD2 PHE A 14 15.642 4.734 -16.105 1.00 51.35 C ATOM 178 CE1 PHE A 14 18.160 3.844 -15.450 1.00 5.25 C ATOM 179 CE2 PHE A 14 16.800 5.462 -16.489 1.00 35.22 C ATOM 180 CZ PHE A 14 18.034 5.002 -16.153 1.00 23.52 C ATOM 0 H PHE A 14 13.673 -0.152 -15.172 1.00 20.31 H new ATOM 0 HA PHE A 14 13.536 2.154 -16.834 1.00 4.45 H new ATOM 0 HB2 PHE A 14 13.697 3.492 -14.843 1.00 73.03 H new ATOM 0 HB3 PHE A 14 14.707 2.314 -14.028 1.00 73.03 H new ATOM 0 HD1 PHE A 14 17.103 2.198 -14.507 1.00 72.42 H new ATOM 0 HD2 PHE A 14 14.661 5.100 -16.372 1.00 51.35 H new ATOM 0 HE1 PHE A 14 19.141 3.478 -15.184 1.00 5.25 H new ATOM 0 HE2 PHE A 14 16.700 6.381 -17.048 1.00 35.22 H new ATOM 0 HZ PHE A 14 18.914 5.556 -16.444 1.00 23.52 H new ATOM 190 N ASP A 15 16.007 1.757 -17.465 1.00 52.21 N ATOM 191 CA ASP A 15 17.213 1.237 -18.087 1.00 74.00 C ATOM 192 C ASP A 15 18.277 2.336 -18.124 1.00 73.43 C ATOM 193 O ASP A 15 18.098 3.356 -18.788 1.00 33.14 O ATOM 194 CB ASP A 15 16.942 0.792 -19.526 1.00 22.35 C ATOM 195 CG ASP A 15 18.191 0.467 -20.348 1.00 2.43 C ATOM 196 OD1 ASP A 15 19.085 -0.261 -19.891 1.00 73.23 O ATOM 197 OD2 ASP A 15 18.227 1.004 -21.520 1.00 53.50 O ATOM 0 H ASP A 15 15.733 2.688 -17.778 1.00 52.21 H new ATOM 0 HA ASP A 15 17.552 0.382 -17.503 1.00 74.00 H new ATOM 0 HB2 ASP A 15 16.301 -0.089 -19.503 1.00 22.35 H new ATOM 0 HB3 ASP A 15 16.385 1.579 -20.035 1.00 22.35 H new ATOM 203 N CYS A 16 19.361 2.090 -17.404 1.00 31.34 N ATOM 204 CA CYS A 16 20.454 3.045 -17.346 1.00 11.41 C ATOM 205 C CYS A 16 21.072 3.153 -18.741 1.00 63.22 C ATOM 206 O CYS A 16 21.205 2.152 -19.444 1.00 11.10 O ATOM 207 CB CYS A 16 21.491 2.656 -16.290 1.00 72.25 C ATOM 208 SG CYS A 16 22.542 1.296 -16.918 1.00 62.22 S ATOM 0 H CYS A 16 19.506 1.242 -16.855 1.00 31.34 H new ATOM 0 HA CYS A 16 20.072 4.020 -17.042 1.00 11.41 H new ATOM 0 HB2 CYS A 16 22.109 3.518 -16.040 1.00 72.25 H new ATOM 0 HB3 CYS A 16 20.990 2.346 -15.373 1.00 72.25 H new ATOM 0 HG CYS A 16 22.360 1.163 -18.198 1.00 62.22 H new ATOM 214 N PRO A 17 21.444 4.408 -19.110 1.00 71.12 N ATOM 215 CA PRO A 17 22.045 4.659 -20.409 1.00 2.01 C ATOM 216 C PRO A 17 23.498 4.182 -20.442 1.00 25.31 C ATOM 217 O PRO A 17 23.912 3.381 -19.604 1.00 52.24 O ATOM 218 CB PRO A 17 21.907 6.157 -20.623 1.00 41.52 C ATOM 219 CG PRO A 17 21.657 6.754 -19.248 1.00 4.05 C ATOM 220 CD PRO A 17 21.302 5.617 -18.304 1.00 21.32 C ATOM 0 HA PRO A 17 21.556 4.108 -21.212 1.00 2.01 H new ATOM 0 HB2 PRO A 17 22.810 6.572 -21.071 1.00 41.52 H new ATOM 0 HB3 PRO A 17 21.083 6.380 -21.301 1.00 41.52 H new ATOM 0 HG2 PRO A 17 22.543 7.282 -18.894 1.00 4.05 H new ATOM 0 HG3 PRO A 17 20.847 7.483 -19.290 1.00 4.05 H new ATOM 0 HD2 PRO A 17 21.967 5.597 -17.440 1.00 21.32 H new ATOM 0 HD3 PRO A 17 20.286 5.722 -17.922 1.00 21.32 H new ATOM 228 N THR A 18 24.234 4.693 -21.418 1.00 12.30 N ATOM 229 CA THR A 18 25.632 4.329 -21.571 1.00 42.41 C ATOM 230 C THR A 18 26.533 5.522 -21.242 1.00 74.21 C ATOM 231 O THR A 18 27.756 5.395 -21.228 1.00 40.21 O ATOM 232 CB THR A 18 25.829 3.793 -22.990 1.00 55.25 C ATOM 233 OG1 THR A 18 27.088 3.128 -22.939 1.00 74.21 O ATOM 234 CG2 THR A 18 26.039 4.910 -24.015 1.00 11.34 C ATOM 0 H THR A 18 23.888 5.357 -22.111 1.00 12.30 H new ATOM 0 HA THR A 18 25.915 3.544 -20.869 1.00 42.41 H new ATOM 0 HB THR A 18 24.962 3.197 -23.275 1.00 55.25 H new ATOM 0 HG1 THR A 18 27.706 3.640 -22.377 1.00 74.21 H new ATOM 0 HG21 THR A 18 26.174 4.475 -25.005 1.00 11.34 H new ATOM 0 HG22 THR A 18 25.168 5.566 -24.022 1.00 11.34 H new ATOM 0 HG23 THR A 18 26.925 5.486 -23.749 1.00 11.34 H new ATOM 242 N TRP A 19 25.892 6.653 -20.985 1.00 62.14 N ATOM 243 CA TRP A 19 26.620 7.867 -20.657 1.00 51.13 C ATOM 244 C TRP A 19 26.699 7.974 -19.133 1.00 62.41 C ATOM 245 O TRP A 19 27.313 8.898 -18.603 1.00 3.10 O ATOM 246 CB TRP A 19 25.969 9.089 -21.309 1.00 25.01 C ATOM 247 CG TRP A 19 24.445 9.005 -21.406 1.00 71.21 C ATOM 248 CD1 TRP A 19 23.710 8.406 -22.354 1.00 3.24 C ATOM 249 CD2 TRP A 19 23.492 9.565 -20.478 1.00 70.20 C ATOM 250 NE1 TRP A 19 22.359 8.539 -22.105 1.00 62.23 N ATOM 251 CE2 TRP A 19 22.222 9.266 -20.928 1.00 64.34 C ATOM 252 CE3 TRP A 19 23.696 10.300 -19.297 1.00 22.31 C ATOM 253 CZ2 TRP A 19 21.058 9.662 -20.259 1.00 43.01 C ATOM 254 CZ3 TRP A 19 22.523 10.688 -18.640 1.00 13.43 C ATOM 255 CH2 TRP A 19 21.237 10.395 -19.080 1.00 43.41 C ATOM 0 H TRP A 19 24.877 6.754 -20.997 1.00 62.14 H new ATOM 0 HA TRP A 19 27.634 7.829 -21.056 1.00 51.13 H new ATOM 0 HB2 TRP A 19 26.238 9.978 -20.739 1.00 25.01 H new ATOM 0 HB3 TRP A 19 26.380 9.216 -22.311 1.00 25.01 H new ATOM 0 HD1 TRP A 19 24.123 7.885 -23.205 1.00 3.24 H new ATOM 0 HE1 TRP A 19 21.600 8.171 -22.679 1.00 62.23 H new ATOM 0 HE3 TRP A 19 24.680 10.546 -18.926 1.00 22.31 H new ATOM 0 HZ2 TRP A 19 20.075 9.415 -20.632 1.00 43.01 H new ATOM 0 HZ3 TRP A 19 22.624 11.255 -17.726 1.00 13.43 H new ATOM 0 HH2 TRP A 19 20.380 10.731 -18.515 1.00 43.41 H new ATOM 266 N ALA A 20 26.069 7.014 -18.471 1.00 41.33 N ATOM 267 CA ALA A 20 26.061 6.989 -17.018 1.00 75.55 C ATOM 268 C ALA A 20 27.425 6.514 -16.513 1.00 54.41 C ATOM 269 O ALA A 20 27.999 5.573 -17.057 1.00 63.15 O ATOM 270 CB ALA A 20 24.916 6.098 -16.530 1.00 42.02 C ATOM 0 H ALA A 20 25.561 6.248 -18.914 1.00 41.33 H new ATOM 0 HA ALA A 20 25.891 7.988 -16.617 1.00 75.55 H new ATOM 0 HB1 ALA A 20 24.909 6.079 -15.440 1.00 42.02 H new ATOM 0 HB2 ALA A 20 23.967 6.494 -16.892 1.00 42.02 H new ATOM 0 HB3 ALA A 20 25.055 5.086 -16.910 1.00 42.02 H new ATOM 276 N GLY A 21 27.903 7.188 -15.478 1.00 3.42 N ATOM 277 CA GLY A 21 29.189 6.848 -14.893 1.00 21.11 C ATOM 278 C GLY A 21 29.172 7.050 -13.376 1.00 45.04 C ATOM 279 O GLY A 21 28.627 8.036 -12.884 1.00 14.20 O ATOM 0 H GLY A 21 27.423 7.968 -15.029 1.00 3.42 H new ATOM 0 HA2 GLY A 21 29.434 5.811 -15.123 1.00 21.11 H new ATOM 0 HA3 GLY A 21 29.969 7.466 -15.337 1.00 21.11 H new ATOM 283 N LYS A 22 29.777 6.100 -12.678 1.00 42.22 N ATOM 284 CA LYS A 22 29.839 6.162 -11.228 1.00 33.43 C ATOM 285 C LYS A 22 30.256 7.570 -10.798 1.00 72.44 C ATOM 286 O LYS A 22 31.347 8.028 -11.135 1.00 74.41 O ATOM 287 CB LYS A 22 30.748 5.058 -10.683 1.00 34.02 C ATOM 288 CG LYS A 22 30.295 4.612 -9.291 1.00 12.10 C ATOM 289 CD LYS A 22 29.224 3.523 -9.385 1.00 52.54 C ATOM 290 CE LYS A 22 29.857 2.131 -9.391 1.00 71.34 C ATOM 291 NZ LYS A 22 28.844 1.102 -9.718 1.00 12.33 N ATOM 0 H LYS A 22 30.228 5.283 -13.090 1.00 42.22 H new ATOM 0 HA LYS A 22 28.855 5.976 -10.797 1.00 33.43 H new ATOM 0 HB2 LYS A 22 30.739 4.206 -11.363 1.00 34.02 H new ATOM 0 HB3 LYS A 22 31.776 5.418 -10.637 1.00 34.02 H new ATOM 0 HG2 LYS A 22 31.151 4.238 -8.729 1.00 12.10 H new ATOM 0 HG3 LYS A 22 29.902 5.467 -8.741 1.00 12.10 H new ATOM 0 HD2 LYS A 22 28.537 3.610 -8.543 1.00 52.54 H new ATOM 0 HD3 LYS A 22 28.636 3.663 -10.292 1.00 52.54 H new ATOM 0 HE2 LYS A 22 30.667 2.097 -10.119 1.00 71.34 H new ATOM 0 HE3 LYS A 22 30.296 1.921 -8.416 1.00 71.34 H new ATOM 0 HZ1 LYS A 22 29.291 0.163 -9.718 1.00 12.33 H new ATOM 0 HZ2 LYS A 22 28.085 1.124 -9.008 1.00 12.33 H new ATOM 0 HZ3 LYS A 22 28.444 1.295 -10.658 1.00 12.33 H new ATOM 304 N PRO A 23 29.342 8.234 -10.042 1.00 12.21 N ATOM 305 CA PRO A 23 29.604 9.581 -9.563 1.00 73.20 C ATOM 306 C PRO A 23 30.603 9.566 -8.405 1.00 2.23 C ATOM 307 O PRO A 23 30.743 8.559 -7.713 1.00 72.31 O ATOM 308 CB PRO A 23 28.243 10.129 -9.166 1.00 74.03 C ATOM 309 CG PRO A 23 27.338 8.919 -9.000 1.00 23.44 C ATOM 310 CD PRO A 23 28.040 7.723 -9.624 1.00 14.33 C ATOM 0 HA PRO A 23 30.068 10.214 -10.320 1.00 73.20 H new ATOM 0 HB2 PRO A 23 28.307 10.699 -8.239 1.00 74.03 H new ATOM 0 HB3 PRO A 23 27.856 10.804 -9.929 1.00 74.03 H new ATOM 0 HG2 PRO A 23 27.136 8.735 -7.945 1.00 23.44 H new ATOM 0 HG3 PRO A 23 26.376 9.092 -9.483 1.00 23.44 H new ATOM 0 HD2 PRO A 23 28.146 6.908 -8.908 1.00 14.33 H new ATOM 0 HD3 PRO A 23 27.478 7.332 -10.472 1.00 14.33 H new ATOM 318 N PRO A 24 31.291 10.726 -8.224 1.00 74.31 N ATOM 319 CA PRO A 24 32.273 10.856 -7.161 1.00 71.44 C ATOM 320 C PRO A 24 31.591 11.007 -5.800 1.00 43.20 C ATOM 321 O PRO A 24 30.453 11.466 -5.719 1.00 73.55 O ATOM 322 CB PRO A 24 33.110 12.065 -7.545 1.00 14.32 C ATOM 323 CG PRO A 24 32.281 12.842 -8.555 1.00 61.23 C ATOM 324 CD PRO A 24 31.151 11.939 -9.024 1.00 4.23 C ATOM 0 HA PRO A 24 32.901 9.971 -7.057 1.00 71.44 H new ATOM 0 HB2 PRO A 24 33.336 12.677 -6.672 1.00 14.32 H new ATOM 0 HB3 PRO A 24 34.064 11.759 -7.975 1.00 14.32 H new ATOM 0 HG2 PRO A 24 31.882 13.750 -8.103 1.00 61.23 H new ATOM 0 HG3 PRO A 24 32.898 13.151 -9.399 1.00 61.23 H new ATOM 0 HD2 PRO A 24 30.179 12.407 -8.867 1.00 4.23 H new ATOM 0 HD3 PRO A 24 31.233 11.723 -10.089 1.00 4.23 H new ATOM 332 N PRO A 25 32.336 10.603 -4.736 1.00 50.22 N ATOM 333 CA PRO A 25 31.816 10.690 -3.382 1.00 73.33 C ATOM 334 C PRO A 25 31.824 12.136 -2.883 1.00 70.00 C ATOM 335 O PRO A 25 32.694 12.523 -2.105 1.00 23.23 O ATOM 336 CB PRO A 25 32.705 9.772 -2.560 1.00 3.14 C ATOM 337 CG PRO A 25 33.968 9.569 -3.381 1.00 40.31 C ATOM 338 CD PRO A 25 33.688 10.055 -4.794 1.00 1.42 C ATOM 0 HA PRO A 25 30.773 10.381 -3.311 1.00 73.33 H new ATOM 0 HB2 PRO A 25 32.936 10.216 -1.592 1.00 3.14 H new ATOM 0 HB3 PRO A 25 32.209 8.821 -2.364 1.00 3.14 H new ATOM 0 HG2 PRO A 25 34.800 10.122 -2.945 1.00 40.31 H new ATOM 0 HG3 PRO A 25 34.254 8.517 -3.389 1.00 40.31 H new ATOM 0 HD2 PRO A 25 34.409 10.812 -5.103 1.00 1.42 H new ATOM 0 HD3 PRO A 25 33.754 9.239 -5.514 1.00 1.42 H new ATOM 346 N GLY A 26 30.845 12.896 -3.351 1.00 74.43 N ATOM 347 CA GLY A 26 30.728 14.291 -2.962 1.00 21.41 C ATOM 348 C GLY A 26 29.475 14.926 -3.567 1.00 53.04 C ATOM 349 O GLY A 26 29.469 16.114 -3.888 1.00 24.42 O ATOM 0 H GLY A 26 30.125 12.572 -3.997 1.00 74.43 H new ATOM 0 HA2 GLY A 26 30.690 14.367 -1.875 1.00 21.41 H new ATOM 0 HA3 GLY A 26 31.612 14.839 -3.289 1.00 21.41 H new ATOM 353 N LEU A 27 28.443 14.107 -3.706 1.00 33.22 N ATOM 354 CA LEU A 27 27.186 14.574 -4.267 1.00 65.20 C ATOM 355 C LEU A 27 26.035 14.148 -3.353 1.00 43.54 C ATOM 356 O LEU A 27 26.208 13.288 -2.491 1.00 54.23 O ATOM 357 CB LEU A 27 27.034 14.094 -5.712 1.00 42.40 C ATOM 358 CG LEU A 27 28.223 14.364 -6.637 1.00 12.10 C ATOM 359 CD1 LEU A 27 28.267 13.351 -7.782 1.00 70.14 C ATOM 360 CD2 LEU A 27 28.204 15.806 -7.148 1.00 11.23 C ATOM 0 H LEU A 27 28.451 13.122 -3.440 1.00 33.22 H new ATOM 0 HA LEU A 27 27.170 15.663 -4.313 1.00 65.20 H new ATOM 0 HB2 LEU A 27 26.845 13.021 -5.699 1.00 42.40 H new ATOM 0 HB3 LEU A 27 26.151 14.568 -6.140 1.00 42.40 H new ATOM 0 HG LEU A 27 29.140 14.239 -6.061 1.00 12.10 H new ATOM 0 HD11 LEU A 27 29.121 13.565 -8.425 1.00 70.14 H new ATOM 0 HD12 LEU A 27 28.363 12.345 -7.374 1.00 70.14 H new ATOM 0 HD13 LEU A 27 27.348 13.420 -8.365 1.00 70.14 H new ATOM 0 HD21 LEU A 27 29.059 15.971 -7.803 1.00 11.23 H new ATOM 0 HD22 LEU A 27 27.283 15.983 -7.703 1.00 11.23 H new ATOM 0 HD23 LEU A 27 28.256 16.492 -6.303 1.00 11.23 H new ATOM 372 N HIS A 28 24.887 14.771 -3.573 1.00 75.25 N ATOM 373 CA HIS A 28 23.707 14.468 -2.781 1.00 22.53 C ATOM 374 C HIS A 28 22.517 15.275 -3.302 1.00 12.21 C ATOM 375 O HIS A 28 22.683 16.400 -3.771 1.00 52.10 O ATOM 376 CB HIS A 28 23.977 14.702 -1.293 1.00 44.52 C ATOM 377 CG HIS A 28 24.100 16.159 -0.914 1.00 1.01 C ATOM 378 ND1 HIS A 28 23.276 16.962 -0.182 1.00 50.44 N flip ATOM 379 CD2 HIS A 28 25.171 16.946 -1.299 1.00 34.23 C flip ATOM 380 CE1 HIS A 28 23.814 18.173 -0.122 1.00 23.04 C flip ATOM 381 NE2 HIS A 28 24.989 18.166 -0.815 1.00 4.42 N flip ATOM 0 H HIS A 28 24.749 15.485 -4.289 1.00 75.25 H new ATOM 0 HA HIS A 28 23.457 13.412 -2.884 1.00 22.53 H new ATOM 0 HB2 HIS A 28 23.171 14.253 -0.713 1.00 44.52 H new ATOM 0 HB3 HIS A 28 24.896 14.186 -1.015 1.00 44.52 H new ATOM 0 HD2 HIS A 28 26.012 16.621 -1.893 1.00 34.23 H new ATOM 0 HE1 HIS A 28 23.391 19.024 0.391 1.00 23.04 H new ATOM 0 HE2 HIS A 28 25.617 18.960 -0.939 1.00 4.42 H new ATOM 389 N LEU A 29 21.343 14.669 -3.202 1.00 53.51 N ATOM 390 CA LEU A 29 20.125 15.318 -3.658 1.00 11.14 C ATOM 391 C LEU A 29 19.514 16.114 -2.503 1.00 13.41 C ATOM 392 O LEU A 29 20.079 16.165 -1.412 1.00 11.14 O ATOM 393 CB LEU A 29 19.169 14.293 -4.271 1.00 62.04 C ATOM 394 CG LEU A 29 19.096 14.275 -5.800 1.00 0.04 C ATOM 395 CD1 LEU A 29 17.961 13.370 -6.284 1.00 25.04 C ATOM 396 CD2 LEU A 29 18.976 15.694 -6.359 1.00 70.14 C ATOM 0 H LEU A 29 21.209 13.736 -2.812 1.00 53.51 H new ATOM 0 HA LEU A 29 20.347 16.029 -4.454 1.00 11.14 H new ATOM 0 HB2 LEU A 29 19.464 13.301 -3.929 1.00 62.04 H new ATOM 0 HB3 LEU A 29 18.168 14.480 -3.881 1.00 62.04 H new ATOM 0 HG LEU A 29 20.027 13.856 -6.182 1.00 0.04 H new ATOM 0 HD11 LEU A 29 17.931 13.375 -7.374 1.00 25.04 H new ATOM 0 HD12 LEU A 29 18.131 12.353 -5.930 1.00 25.04 H new ATOM 0 HD13 LEU A 29 17.012 13.736 -5.893 1.00 25.04 H new ATOM 0 HD21 LEU A 29 18.926 15.653 -7.447 1.00 70.14 H new ATOM 0 HD22 LEU A 29 18.071 16.162 -5.971 1.00 70.14 H new ATOM 0 HD23 LEU A 29 19.845 16.279 -6.057 1.00 70.14 H new ATOM 408 N ASP A 30 18.367 16.716 -2.783 1.00 2.41 N ATOM 409 CA ASP A 30 17.673 17.508 -1.781 1.00 62.32 C ATOM 410 C ASP A 30 16.231 17.746 -2.235 1.00 25.24 C ATOM 411 O ASP A 30 15.899 17.528 -3.399 1.00 30.45 O ATOM 412 CB ASP A 30 18.342 18.871 -1.596 1.00 51.33 C ATOM 413 CG ASP A 30 19.869 18.836 -1.506 1.00 32.23 C ATOM 414 OD1 ASP A 30 20.561 18.544 -2.493 1.00 35.14 O ATOM 415 OD2 ASP A 30 20.353 19.128 -0.346 1.00 61.22 O ATOM 0 H ASP A 30 17.901 16.671 -3.689 1.00 2.41 H new ATOM 0 HA ASP A 30 17.703 16.961 -0.838 1.00 62.32 H new ATOM 0 HB2 ASP A 30 18.057 19.515 -2.428 1.00 51.33 H new ATOM 0 HB3 ASP A 30 17.950 19.331 -0.689 1.00 51.33 H new ATOM 421 N VAL A 31 15.414 18.190 -1.291 1.00 41.34 N ATOM 422 CA VAL A 31 14.016 18.460 -1.579 1.00 53.43 C ATOM 423 C VAL A 31 13.614 19.789 -0.935 1.00 21.43 C ATOM 424 O VAL A 31 14.055 20.106 0.169 1.00 61.50 O ATOM 425 CB VAL A 31 13.150 17.286 -1.118 1.00 1.11 C ATOM 426 CG1 VAL A 31 11.667 17.565 -1.372 1.00 24.11 C ATOM 427 CG2 VAL A 31 13.587 15.985 -1.793 1.00 71.43 C ATOM 0 H VAL A 31 15.693 18.369 -0.327 1.00 41.34 H new ATOM 0 HA VAL A 31 13.860 18.559 -2.653 1.00 53.43 H new ATOM 0 HB VAL A 31 13.289 17.169 -0.043 1.00 1.11 H new ATOM 0 HG11 VAL A 31 11.074 16.715 -1.035 1.00 24.11 H new ATOM 0 HG12 VAL A 31 11.366 18.458 -0.824 1.00 24.11 H new ATOM 0 HG13 VAL A 31 11.504 17.722 -2.438 1.00 24.11 H new ATOM 0 HG21 VAL A 31 12.956 15.166 -1.448 1.00 71.43 H new ATOM 0 HG22 VAL A 31 13.492 16.086 -2.874 1.00 71.43 H new ATOM 0 HG23 VAL A 31 14.626 15.774 -1.538 1.00 71.43 H new ATOM 437 N VAL A 32 12.782 20.530 -1.651 1.00 74.41 N ATOM 438 CA VAL A 32 12.316 21.816 -1.163 1.00 14.32 C ATOM 439 C VAL A 32 10.834 21.982 -1.508 1.00 63.11 C ATOM 440 O VAL A 32 10.434 21.783 -2.654 1.00 44.01 O ATOM 441 CB VAL A 32 13.190 22.938 -1.727 1.00 11.11 C ATOM 442 CG1 VAL A 32 13.160 24.167 -0.816 1.00 51.23 C ATOM 443 CG2 VAL A 32 14.625 22.456 -1.950 1.00 34.52 C ATOM 0 H VAL A 32 12.418 20.264 -2.566 1.00 74.41 H new ATOM 0 HA VAL A 32 12.405 21.867 -0.078 1.00 14.32 H new ATOM 0 HB VAL A 32 12.780 23.228 -2.694 1.00 11.11 H new ATOM 0 HG11 VAL A 32 13.789 24.950 -1.240 1.00 51.23 H new ATOM 0 HG12 VAL A 32 12.136 24.531 -0.730 1.00 51.23 H new ATOM 0 HG13 VAL A 32 13.533 23.897 0.172 1.00 51.23 H new ATOM 0 HG21 VAL A 32 15.225 23.273 -2.351 1.00 34.52 H new ATOM 0 HG22 VAL A 32 15.049 22.126 -1.002 1.00 34.52 H new ATOM 0 HG23 VAL A 32 14.624 21.626 -2.656 1.00 34.52 H new ATOM 453 N LYS A 33 10.060 22.344 -0.496 1.00 5.35 N ATOM 454 CA LYS A 33 8.632 22.539 -0.678 1.00 20.15 C ATOM 455 C LYS A 33 8.394 23.824 -1.473 1.00 0.12 C ATOM 456 O LYS A 33 7.296 24.050 -1.980 1.00 45.11 O ATOM 457 CB LYS A 33 7.911 22.508 0.672 1.00 71.05 C ATOM 458 CG LYS A 33 8.383 23.651 1.572 1.00 5.01 C ATOM 459 CD LYS A 33 7.275 24.087 2.532 1.00 32.22 C ATOM 460 CE LYS A 33 7.196 23.151 3.740 1.00 4.01 C ATOM 461 NZ LYS A 33 5.831 23.154 4.310 1.00 14.13 N ATOM 0 H LYS A 33 10.395 22.508 0.453 1.00 5.35 H new ATOM 0 HA LYS A 33 8.207 21.721 -1.260 1.00 20.15 H new ATOM 0 HB2 LYS A 33 6.835 22.584 0.515 1.00 71.05 H new ATOM 0 HB3 LYS A 33 8.095 21.553 1.164 1.00 71.05 H new ATOM 0 HG2 LYS A 33 9.257 23.334 2.140 1.00 5.01 H new ATOM 0 HG3 LYS A 33 8.692 24.498 0.959 1.00 5.01 H new ATOM 0 HD2 LYS A 33 7.462 25.107 2.869 1.00 32.22 H new ATOM 0 HD3 LYS A 33 6.318 24.094 2.010 1.00 32.22 H new ATOM 0 HE2 LYS A 33 7.470 22.139 3.442 1.00 4.01 H new ATOM 0 HE3 LYS A 33 7.914 23.465 4.498 1.00 4.01 H new ATOM 0 HZ1 LYS A 33 5.795 22.514 5.129 1.00 14.13 H new ATOM 0 HZ2 LYS A 33 5.583 24.118 4.613 1.00 14.13 H new ATOM 0 HZ3 LYS A 33 5.153 22.833 3.590 1.00 14.13 H new ATOM 474 N GLY A 34 9.440 24.632 -1.557 1.00 4.42 N ATOM 475 CA GLY A 34 9.359 25.889 -2.282 1.00 10.12 C ATOM 476 C GLY A 34 10.484 26.838 -1.863 1.00 20.32 C ATOM 477 O GLY A 34 11.293 27.251 -2.692 1.00 24.22 O ATOM 0 H GLY A 34 10.349 24.441 -1.135 1.00 4.42 H new ATOM 0 HA2 GLY A 34 9.419 25.699 -3.354 1.00 10.12 H new ATOM 0 HA3 GLY A 34 8.393 26.359 -2.095 1.00 10.12 H new ATOM 481 N ASP A 35 10.499 27.155 -0.577 1.00 13.34 N ATOM 482 CA ASP A 35 11.511 28.047 -0.038 1.00 0.54 C ATOM 483 C ASP A 35 12.019 27.490 1.294 1.00 51.42 C ATOM 484 O ASP A 35 12.579 28.226 2.105 1.00 24.31 O ATOM 485 CB ASP A 35 10.935 29.441 0.222 1.00 63.02 C ATOM 486 CG ASP A 35 11.952 30.582 0.161 1.00 42.55 C ATOM 487 OD1 ASP A 35 12.932 30.607 0.921 1.00 75.13 O ATOM 488 OD2 ASP A 35 11.704 31.487 -0.726 1.00 22.53 O ATOM 0 H ASP A 35 9.826 26.810 0.108 1.00 13.34 H new ATOM 0 HA ASP A 35 12.318 28.120 -0.767 1.00 0.54 H new ATOM 0 HB2 ASP A 35 10.149 29.635 -0.508 1.00 63.02 H new ATOM 0 HB3 ASP A 35 10.465 29.446 1.205 1.00 63.02 H new ATOM 494 N LYS A 36 11.804 26.196 1.477 1.00 25.14 N ATOM 495 CA LYS A 36 12.233 25.532 2.697 1.00 65.25 C ATOM 496 C LYS A 36 12.690 24.110 2.364 1.00 63.01 C ATOM 497 O LYS A 36 11.976 23.365 1.694 1.00 0.34 O ATOM 498 CB LYS A 36 11.131 25.592 3.756 1.00 70.53 C ATOM 499 CG LYS A 36 11.214 24.392 4.702 1.00 3.21 C ATOM 500 CD LYS A 36 10.189 24.513 5.832 1.00 62.14 C ATOM 501 CE LYS A 36 9.677 23.135 6.257 1.00 43.22 C ATOM 502 NZ LYS A 36 8.469 23.269 7.102 1.00 45.25 N ATOM 0 H LYS A 36 11.339 25.589 0.802 1.00 25.14 H new ATOM 0 HA LYS A 36 13.088 26.049 3.132 1.00 65.25 H new ATOM 0 HB2 LYS A 36 11.220 26.516 4.327 1.00 70.53 H new ATOM 0 HB3 LYS A 36 10.155 25.610 3.270 1.00 70.53 H new ATOM 0 HG2 LYS A 36 11.039 23.472 4.144 1.00 3.21 H new ATOM 0 HG3 LYS A 36 12.218 24.324 5.122 1.00 3.21 H new ATOM 0 HD2 LYS A 36 10.642 25.016 6.686 1.00 62.14 H new ATOM 0 HD3 LYS A 36 9.353 25.131 5.505 1.00 62.14 H new ATOM 0 HE2 LYS A 36 9.446 22.538 5.375 1.00 43.22 H new ATOM 0 HE3 LYS A 36 10.455 22.605 6.806 1.00 43.22 H new ATOM 0 HZ1 LYS A 36 8.047 22.331 7.255 1.00 45.25 H new ATOM 0 HZ2 LYS A 36 8.731 23.685 8.019 1.00 45.25 H new ATOM 0 HZ3 LYS A 36 7.779 23.885 6.627 1.00 45.25 H new ATOM 515 N LEU A 37 13.878 23.776 2.847 1.00 50.01 N ATOM 516 CA LEU A 37 14.439 22.457 2.609 1.00 35.33 C ATOM 517 C LEU A 37 13.635 21.417 3.394 1.00 44.23 C ATOM 518 O LEU A 37 13.570 21.475 4.621 1.00 71.34 O ATOM 519 CB LEU A 37 15.935 22.445 2.927 1.00 1.31 C ATOM 520 CG LEU A 37 16.723 21.244 2.401 1.00 24.01 C ATOM 521 CD1 LEU A 37 16.250 19.947 3.059 1.00 32.35 C ATOM 522 CD2 LEU A 37 16.656 21.170 0.874 1.00 32.24 C ATOM 0 H LEU A 37 14.467 24.396 3.402 1.00 50.01 H new ATOM 0 HA LEU A 37 14.359 22.194 1.554 1.00 35.33 H new ATOM 0 HB2 LEU A 37 16.380 23.353 2.520 1.00 1.31 H new ATOM 0 HB3 LEU A 37 16.056 22.488 4.009 1.00 1.31 H new ATOM 0 HG LEU A 37 17.770 21.378 2.671 1.00 24.01 H new ATOM 0 HD11 LEU A 37 16.827 19.109 2.667 1.00 32.35 H new ATOM 0 HD12 LEU A 37 16.393 20.013 4.138 1.00 32.35 H new ATOM 0 HD13 LEU A 37 15.193 19.793 2.842 1.00 32.35 H new ATOM 0 HD21 LEU A 37 17.224 20.307 0.526 1.00 32.24 H new ATOM 0 HD22 LEU A 37 15.617 21.071 0.560 1.00 32.24 H new ATOM 0 HD23 LEU A 37 17.079 22.079 0.447 1.00 32.24 H new ATOM 534 N ILE A 38 13.044 20.491 2.653 1.00 3.12 N ATOM 535 CA ILE A 38 12.248 19.440 3.264 1.00 1.21 C ATOM 536 C ILE A 38 13.177 18.353 3.808 1.00 2.45 C ATOM 537 O ILE A 38 13.376 18.250 5.018 1.00 53.10 O ATOM 538 CB ILE A 38 11.203 18.918 2.277 1.00 74.43 C ATOM 539 CG1 ILE A 38 10.265 20.040 1.825 1.00 25.24 C ATOM 540 CG2 ILE A 38 10.435 17.733 2.867 1.00 63.42 C ATOM 541 CD1 ILE A 38 9.460 20.589 3.005 1.00 71.15 C ATOM 0 H ILE A 38 13.100 20.447 1.636 1.00 3.12 H new ATOM 0 HA ILE A 38 11.685 19.832 4.111 1.00 1.21 H new ATOM 0 HB ILE A 38 11.723 18.556 1.390 1.00 74.43 H new ATOM 0 HG12 ILE A 38 10.845 20.843 1.371 1.00 25.24 H new ATOM 0 HG13 ILE A 38 9.586 19.665 1.060 1.00 25.24 H new ATOM 0 HG21 ILE A 38 9.698 17.381 2.145 1.00 63.42 H new ATOM 0 HG22 ILE A 38 11.131 16.927 3.097 1.00 63.42 H new ATOM 0 HG23 ILE A 38 9.928 18.046 3.780 1.00 63.42 H new ATOM 0 HD11 ILE A 38 8.801 21.385 2.657 1.00 71.15 H new ATOM 0 HD12 ILE A 38 8.863 19.789 3.442 1.00 71.15 H new ATOM 0 HD13 ILE A 38 10.142 20.985 3.758 1.00 71.15 H new ATOM 553 N GLU A 39 13.722 17.570 2.889 1.00 50.40 N ATOM 554 CA GLU A 39 14.626 16.495 3.262 1.00 55.14 C ATOM 555 C GLU A 39 15.876 16.523 2.380 1.00 32.12 C ATOM 556 O GLU A 39 16.044 17.427 1.563 1.00 12.25 O ATOM 557 CB GLU A 39 13.926 15.137 3.178 1.00 53.21 C ATOM 558 CG GLU A 39 13.937 14.602 1.745 1.00 62.14 C ATOM 559 CD GLU A 39 13.143 13.298 1.640 1.00 50.32 C ATOM 560 OE1 GLU A 39 12.968 12.597 2.647 1.00 73.50 O ATOM 561 OE2 GLU A 39 12.700 13.023 0.460 1.00 15.41 O ATOM 0 H GLU A 39 13.555 17.658 1.887 1.00 50.40 H new ATOM 0 HA GLU A 39 14.932 16.646 4.297 1.00 55.14 H new ATOM 0 HB2 GLU A 39 14.422 14.427 3.839 1.00 53.21 H new ATOM 0 HB3 GLU A 39 12.898 15.232 3.527 1.00 53.21 H new ATOM 0 HG2 GLU A 39 13.511 15.346 1.072 1.00 62.14 H new ATOM 0 HG3 GLU A 39 14.965 14.433 1.424 1.00 62.14 H new ATOM 569 N LYS A 40 16.721 15.521 2.575 1.00 11.44 N ATOM 570 CA LYS A 40 17.951 15.420 1.808 1.00 32.33 C ATOM 571 C LYS A 40 18.158 13.967 1.375 1.00 11.10 C ATOM 572 O LYS A 40 17.758 13.042 2.080 1.00 11.13 O ATOM 573 CB LYS A 40 19.125 15.999 2.600 1.00 63.13 C ATOM 574 CG LYS A 40 20.145 16.654 1.666 1.00 2.44 C ATOM 575 CD LYS A 40 21.365 17.148 2.447 1.00 11.12 C ATOM 576 CE LYS A 40 20.943 17.819 3.756 1.00 42.22 C ATOM 577 NZ LYS A 40 22.128 18.325 4.484 1.00 42.30 N ATOM 0 H LYS A 40 16.578 14.772 3.253 1.00 11.44 H new ATOM 0 HA LYS A 40 17.884 16.018 0.899 1.00 32.33 H new ATOM 0 HB2 LYS A 40 18.758 16.734 3.317 1.00 63.13 H new ATOM 0 HB3 LYS A 40 19.607 15.208 3.174 1.00 63.13 H new ATOM 0 HG2 LYS A 40 20.460 15.938 0.907 1.00 2.44 H new ATOM 0 HG3 LYS A 40 19.680 17.490 1.143 1.00 2.44 H new ATOM 0 HD2 LYS A 40 22.028 16.310 2.661 1.00 11.12 H new ATOM 0 HD3 LYS A 40 21.930 17.854 1.838 1.00 11.12 H new ATOM 0 HE2 LYS A 40 20.259 18.641 3.546 1.00 42.22 H new ATOM 0 HE3 LYS A 40 20.403 17.106 4.379 1.00 42.22 H new ATOM 0 HZ1 LYS A 40 21.824 18.777 5.370 1.00 42.30 H new ATOM 0 HZ2 LYS A 40 22.766 17.533 4.701 1.00 42.30 H new ATOM 0 HZ3 LYS A 40 22.627 19.021 3.894 1.00 42.30 H new ATOM 590 N LEU A 41 18.783 13.812 0.217 1.00 34.20 N ATOM 591 CA LEU A 41 19.048 12.487 -0.319 1.00 13.43 C ATOM 592 C LEU A 41 20.474 12.442 -0.871 1.00 74.54 C ATOM 593 O LEU A 41 21.115 13.479 -1.031 1.00 71.12 O ATOM 594 CB LEU A 41 17.979 12.100 -1.342 1.00 74.42 C ATOM 595 CG LEU A 41 16.536 12.446 -0.969 1.00 33.10 C ATOM 596 CD1 LEU A 41 15.629 12.418 -2.201 1.00 30.01 C ATOM 597 CD2 LEU A 41 16.022 11.528 0.142 1.00 15.42 C ATOM 0 H LEU A 41 19.114 14.582 -0.365 1.00 34.20 H new ATOM 0 HA LEU A 41 18.987 11.737 0.469 1.00 13.43 H new ATOM 0 HB2 LEU A 41 18.216 12.588 -2.287 1.00 74.42 H new ATOM 0 HB3 LEU A 41 18.041 11.025 -1.514 1.00 74.42 H new ATOM 0 HG LEU A 41 16.519 13.464 -0.580 1.00 33.10 H new ATOM 0 HD11 LEU A 41 14.609 12.667 -1.908 1.00 30.01 H new ATOM 0 HD12 LEU A 41 15.985 13.145 -2.931 1.00 30.01 H new ATOM 0 HD13 LEU A 41 15.646 11.422 -2.643 1.00 30.01 H new ATOM 0 HD21 LEU A 41 14.994 11.795 0.388 1.00 15.42 H new ATOM 0 HD22 LEU A 41 16.057 10.492 -0.196 1.00 15.42 H new ATOM 0 HD23 LEU A 41 16.648 11.642 1.027 1.00 15.42 H new ATOM 609 N ILE A 42 20.928 11.228 -1.148 1.00 40.23 N ATOM 610 CA ILE A 42 22.266 11.033 -1.680 1.00 3.52 C ATOM 611 C ILE A 42 22.170 10.529 -3.121 1.00 34.01 C ATOM 612 O ILE A 42 21.209 9.851 -3.482 1.00 21.32 O ATOM 613 CB ILE A 42 23.080 10.119 -0.761 1.00 53.24 C ATOM 614 CG1 ILE A 42 23.484 10.849 0.521 1.00 11.30 C ATOM 615 CG2 ILE A 42 24.290 9.540 -1.497 1.00 31.22 C ATOM 616 CD1 ILE A 42 22.255 11.390 1.254 1.00 11.44 C ATOM 0 H ILE A 42 20.393 10.370 -1.014 1.00 40.23 H new ATOM 0 HA ILE A 42 22.806 11.980 -1.709 1.00 3.52 H new ATOM 0 HB ILE A 42 22.449 9.280 -0.468 1.00 53.24 H new ATOM 0 HG12 ILE A 42 24.031 10.169 1.174 1.00 11.30 H new ATOM 0 HG13 ILE A 42 24.158 11.670 0.279 1.00 11.30 H new ATOM 0 HG21 ILE A 42 24.852 8.894 -0.822 1.00 31.22 H new ATOM 0 HG22 ILE A 42 23.951 8.960 -2.355 1.00 31.22 H new ATOM 0 HG23 ILE A 42 24.931 10.353 -1.839 1.00 31.22 H new ATOM 0 HD11 ILE A 42 22.570 11.904 2.162 1.00 11.44 H new ATOM 0 HD12 ILE A 42 21.724 12.088 0.607 1.00 11.44 H new ATOM 0 HD13 ILE A 42 21.595 10.563 1.516 1.00 11.44 H new ATOM 628 N ILE A 43 23.178 10.880 -3.906 1.00 32.32 N ATOM 629 CA ILE A 43 23.218 10.471 -5.300 1.00 25.15 C ATOM 630 C ILE A 43 24.669 10.198 -5.704 1.00 55.34 C ATOM 631 O ILE A 43 24.987 10.151 -6.892 1.00 32.44 O ATOM 632 CB ILE A 43 22.518 11.506 -6.182 1.00 72.21 C ATOM 633 CG1 ILE A 43 23.029 12.917 -5.884 1.00 34.14 C ATOM 634 CG2 ILE A 43 20.997 11.405 -6.043 1.00 44.32 C ATOM 635 CD1 ILE A 43 23.985 13.397 -6.978 1.00 34.34 C ATOM 0 H ILE A 43 23.973 11.443 -3.603 1.00 32.32 H new ATOM 0 HA ILE A 43 22.666 9.542 -5.441 1.00 25.15 H new ATOM 0 HB ILE A 43 22.762 11.289 -7.222 1.00 72.21 H new ATOM 0 HG12 ILE A 43 22.186 13.604 -5.806 1.00 34.14 H new ATOM 0 HG13 ILE A 43 23.539 12.927 -4.921 1.00 34.14 H new ATOM 0 HG21 ILE A 43 20.523 12.152 -6.680 1.00 44.32 H new ATOM 0 HG22 ILE A 43 20.669 10.410 -6.344 1.00 44.32 H new ATOM 0 HG23 ILE A 43 20.714 11.581 -5.005 1.00 44.32 H new ATOM 0 HD11 ILE A 43 24.333 14.402 -6.741 1.00 34.34 H new ATOM 0 HD12 ILE A 43 24.839 12.722 -7.037 1.00 34.34 H new ATOM 0 HD13 ILE A 43 23.465 13.409 -7.936 1.00 34.34 H new ATOM 647 N ASP A 44 25.509 10.026 -4.695 1.00 11.43 N ATOM 648 CA ASP A 44 26.918 9.760 -4.931 1.00 33.34 C ATOM 649 C ASP A 44 27.217 8.296 -4.601 1.00 4.01 C ATOM 650 O ASP A 44 28.237 7.991 -3.984 1.00 12.23 O ATOM 651 CB ASP A 44 27.801 10.635 -4.039 1.00 53.45 C ATOM 652 CG ASP A 44 27.978 10.128 -2.607 1.00 5.20 C ATOM 653 OD1 ASP A 44 27.094 10.299 -1.755 1.00 4.45 O ATOM 654 OD2 ASP A 44 29.096 9.526 -2.377 1.00 10.35 O ATOM 0 H ASP A 44 25.241 10.066 -3.712 1.00 11.43 H new ATOM 0 HA ASP A 44 27.132 9.980 -5.977 1.00 33.34 H new ATOM 0 HB2 ASP A 44 28.784 10.723 -4.501 1.00 53.45 H new ATOM 0 HB3 ASP A 44 27.375 11.638 -4.003 1.00 53.45 H new ATOM 660 N GLU A 45 26.311 7.429 -5.027 1.00 53.12 N ATOM 661 CA GLU A 45 26.465 6.005 -4.785 1.00 62.31 C ATOM 662 C GLU A 45 26.311 5.224 -6.092 1.00 41.30 C ATOM 663 O GLU A 45 27.117 4.345 -6.393 1.00 10.11 O ATOM 664 CB GLU A 45 25.467 5.516 -3.734 1.00 21.13 C ATOM 665 CG GLU A 45 25.078 6.647 -2.779 1.00 25.40 C ATOM 666 CD GLU A 45 24.724 6.098 -1.395 1.00 53.33 C ATOM 667 OE1 GLU A 45 25.499 6.270 -0.443 1.00 1.00 O ATOM 668 OE2 GLU A 45 23.596 5.475 -1.328 1.00 42.14 O ATOM 0 H GLU A 45 25.467 7.685 -5.539 1.00 53.12 H new ATOM 0 HA GLU A 45 27.468 5.830 -4.396 1.00 62.31 H new ATOM 0 HB2 GLU A 45 24.575 5.128 -4.227 1.00 21.13 H new ATOM 0 HB3 GLU A 45 25.903 4.692 -3.169 1.00 21.13 H new ATOM 0 HG2 GLU A 45 25.902 7.355 -2.693 1.00 25.40 H new ATOM 0 HG3 GLU A 45 24.228 7.195 -3.185 1.00 25.40 H new ATOM 676 N LYS A 46 25.270 5.574 -6.834 1.00 4.03 N ATOM 677 CA LYS A 46 25.000 4.917 -8.101 1.00 44.34 C ATOM 678 C LYS A 46 25.177 5.924 -9.240 1.00 64.31 C ATOM 679 O LYS A 46 25.607 7.054 -9.013 1.00 65.44 O ATOM 680 CB LYS A 46 23.623 4.252 -8.077 1.00 72.13 C ATOM 681 CG LYS A 46 22.589 5.157 -7.404 1.00 74.43 C ATOM 682 CD LYS A 46 22.372 6.437 -8.213 1.00 13.43 C ATOM 683 CE LYS A 46 22.946 7.652 -7.480 1.00 73.24 C ATOM 684 NZ LYS A 46 22.239 8.886 -7.890 1.00 61.03 N ATOM 0 H LYS A 46 24.604 6.304 -6.582 1.00 4.03 H new ATOM 0 HA LYS A 46 25.714 4.112 -8.272 1.00 44.34 H new ATOM 0 HB2 LYS A 46 23.306 4.026 -9.095 1.00 72.13 H new ATOM 0 HB3 LYS A 46 23.683 3.303 -7.544 1.00 72.13 H new ATOM 0 HG2 LYS A 46 21.644 4.623 -7.302 1.00 74.43 H new ATOM 0 HG3 LYS A 46 22.922 5.411 -6.398 1.00 74.43 H new ATOM 0 HD2 LYS A 46 22.846 6.339 -9.190 1.00 13.43 H new ATOM 0 HD3 LYS A 46 21.306 6.584 -8.389 1.00 13.43 H new ATOM 0 HE2 LYS A 46 22.852 7.512 -6.403 1.00 73.24 H new ATOM 0 HE3 LYS A 46 24.010 7.746 -7.697 1.00 73.24 H new ATOM 0 HZ1 LYS A 46 22.878 9.701 -7.794 1.00 61.03 H new ATOM 0 HZ2 LYS A 46 21.935 8.799 -8.881 1.00 61.03 H new ATOM 0 HZ3 LYS A 46 21.406 9.027 -7.284 1.00 61.03 H new ATOM 697 N LYS A 47 24.837 5.477 -10.440 1.00 51.11 N ATOM 698 CA LYS A 47 24.953 6.325 -11.615 1.00 32.43 C ATOM 699 C LYS A 47 23.562 6.563 -12.206 1.00 32.14 C ATOM 700 O LYS A 47 23.414 7.307 -13.174 1.00 70.41 O ATOM 701 CB LYS A 47 25.950 5.727 -12.610 1.00 13.41 C ATOM 702 CG LYS A 47 25.232 4.884 -13.666 1.00 20.14 C ATOM 703 CD LYS A 47 25.021 3.451 -13.172 1.00 51.20 C ATOM 704 CE LYS A 47 26.347 2.690 -13.114 1.00 10.30 C ATOM 705 NZ LYS A 47 26.570 1.941 -14.370 1.00 73.45 N ATOM 0 H LYS A 47 24.481 4.539 -10.624 1.00 51.11 H new ATOM 0 HA LYS A 47 25.355 7.301 -11.343 1.00 32.43 H new ATOM 0 HB2 LYS A 47 26.508 6.527 -13.096 1.00 13.41 H new ATOM 0 HB3 LYS A 47 26.675 5.110 -12.078 1.00 13.41 H new ATOM 0 HG2 LYS A 47 24.269 5.336 -13.904 1.00 20.14 H new ATOM 0 HG3 LYS A 47 25.816 4.873 -14.586 1.00 20.14 H new ATOM 0 HD2 LYS A 47 24.563 3.467 -12.183 1.00 51.20 H new ATOM 0 HD3 LYS A 47 24.329 2.932 -13.835 1.00 51.20 H new ATOM 0 HE2 LYS A 47 27.167 3.389 -12.950 1.00 10.30 H new ATOM 0 HE3 LYS A 47 26.341 2.001 -12.269 1.00 10.30 H new ATOM 0 HZ1 LYS A 47 27.474 1.430 -14.314 1.00 73.45 H new ATOM 0 HZ2 LYS A 47 25.796 1.261 -14.510 1.00 73.45 H new ATOM 0 HZ3 LYS A 47 26.597 2.605 -15.170 1.00 73.45 H new ATOM 718 N TYR A 48 22.577 5.918 -11.598 1.00 22.34 N ATOM 719 CA TYR A 48 21.203 6.050 -12.051 1.00 42.25 C ATOM 720 C TYR A 48 20.223 5.574 -10.978 1.00 13.03 C ATOM 721 O TYR A 48 20.318 4.444 -10.502 1.00 60.54 O ATOM 722 CB TYR A 48 21.075 5.146 -13.279 1.00 25.21 C ATOM 723 CG TYR A 48 20.475 3.771 -12.979 1.00 52.00 C ATOM 724 CD1 TYR A 48 19.145 3.661 -12.626 1.00 50.01 C ATOM 725 CD2 TYR A 48 21.263 2.641 -13.061 1.00 75.13 C ATOM 726 CE1 TYR A 48 18.580 2.367 -12.344 1.00 15.11 C ATOM 727 CE2 TYR A 48 20.697 1.347 -12.779 1.00 61.01 C ATOM 728 CZ TYR A 48 19.384 1.274 -12.434 1.00 75.13 C ATOM 729 OH TYR A 48 18.850 0.052 -12.168 1.00 35.12 O ATOM 0 H TYR A 48 22.704 5.302 -10.795 1.00 22.34 H new ATOM 0 HA TYR A 48 20.971 7.092 -12.272 1.00 42.25 H new ATOM 0 HB2 TYR A 48 20.456 5.647 -14.023 1.00 25.21 H new ATOM 0 HB3 TYR A 48 22.061 5.012 -13.723 1.00 25.21 H new ATOM 0 HD1 TYR A 48 18.528 4.545 -12.561 1.00 50.01 H new ATOM 0 HD2 TYR A 48 22.304 2.727 -13.337 1.00 75.13 H new ATOM 0 HE1 TYR A 48 17.541 2.267 -12.067 1.00 15.11 H new ATOM 0 HE2 TYR A 48 21.302 0.455 -12.840 1.00 61.01 H new ATOM 0 HH TYR A 48 19.540 -0.636 -12.273 1.00 35.12 H new ATOM 739 N TYR A 49 19.303 6.460 -10.627 1.00 13.52 N ATOM 740 CA TYR A 49 18.306 6.145 -9.618 1.00 33.10 C ATOM 741 C TYR A 49 16.893 6.221 -10.201 1.00 11.04 C ATOM 742 O TYR A 49 16.723 6.331 -11.414 1.00 1.11 O ATOM 743 CB TYR A 49 18.454 7.211 -8.531 1.00 21.14 C ATOM 744 CG TYR A 49 19.206 6.731 -7.287 1.00 52.25 C ATOM 745 CD1 TYR A 49 19.047 5.434 -6.842 1.00 51.34 C ATOM 746 CD2 TYR A 49 20.043 7.595 -6.611 1.00 31.00 C ATOM 747 CE1 TYR A 49 19.754 4.983 -5.672 1.00 64.24 C ATOM 748 CE2 TYR A 49 20.751 7.143 -5.441 1.00 15.40 C ATOM 749 CZ TYR A 49 20.571 5.860 -5.029 1.00 64.44 C ATOM 750 OH TYR A 49 21.240 5.433 -3.924 1.00 54.14 O ATOM 0 H TYR A 49 19.227 7.397 -11.024 1.00 13.52 H new ATOM 0 HA TYR A 49 18.453 5.135 -9.236 1.00 33.10 H new ATOM 0 HB2 TYR A 49 18.976 8.072 -8.949 1.00 21.14 H new ATOM 0 HB3 TYR A 49 17.462 7.553 -8.234 1.00 21.14 H new ATOM 0 HD1 TYR A 49 18.392 4.758 -7.372 1.00 51.34 H new ATOM 0 HD2 TYR A 49 20.167 8.610 -6.959 1.00 31.00 H new ATOM 0 HE1 TYR A 49 19.638 3.971 -5.313 1.00 64.24 H new ATOM 0 HE2 TYR A 49 21.410 7.808 -4.903 1.00 15.40 H new ATOM 0 HH TYR A 49 21.786 6.165 -3.569 1.00 54.14 H new ATOM 760 N LEU A 50 15.915 6.159 -9.309 1.00 3.35 N ATOM 761 CA LEU A 50 14.523 6.220 -9.719 1.00 33.21 C ATOM 762 C LEU A 50 13.800 7.292 -8.900 1.00 64.42 C ATOM 763 O LEU A 50 14.394 7.907 -8.016 1.00 13.30 O ATOM 764 CB LEU A 50 13.876 4.836 -9.627 1.00 44.00 C ATOM 765 CG LEU A 50 14.384 3.791 -10.623 1.00 0.21 C ATOM 766 CD1 LEU A 50 15.374 2.834 -9.956 1.00 71.03 C ATOM 767 CD2 LEU A 50 13.219 3.046 -11.278 1.00 11.53 C ATOM 0 H LEU A 50 16.060 6.067 -8.304 1.00 3.35 H new ATOM 0 HA LEU A 50 14.447 6.513 -10.766 1.00 33.21 H new ATOM 0 HB2 LEU A 50 14.028 4.452 -8.618 1.00 44.00 H new ATOM 0 HB3 LEU A 50 12.801 4.949 -9.766 1.00 44.00 H new ATOM 0 HG LEU A 50 14.922 4.309 -11.417 1.00 0.21 H new ATOM 0 HD11 LEU A 50 15.720 2.102 -10.685 1.00 71.03 H new ATOM 0 HD12 LEU A 50 16.226 3.398 -9.577 1.00 71.03 H new ATOM 0 HD13 LEU A 50 14.883 2.320 -9.130 1.00 71.03 H new ATOM 0 HD21 LEU A 50 13.608 2.309 -11.981 1.00 11.53 H new ATOM 0 HD22 LEU A 50 12.633 2.541 -10.510 1.00 11.53 H new ATOM 0 HD23 LEU A 50 12.586 3.756 -11.810 1.00 11.53 H new ATOM 779 N PHE A 51 12.530 7.482 -9.224 1.00 33.32 N ATOM 780 CA PHE A 51 11.720 8.468 -8.529 1.00 41.43 C ATOM 781 C PHE A 51 10.235 8.276 -8.841 1.00 55.52 C ATOM 782 O PHE A 51 9.787 8.565 -9.950 1.00 21.10 O ATOM 783 CB PHE A 51 12.161 9.844 -9.033 1.00 63.25 C ATOM 784 CG PHE A 51 13.147 10.559 -8.107 1.00 50.33 C ATOM 785 CD1 PHE A 51 12.724 11.046 -6.910 1.00 1.01 C ATOM 786 CD2 PHE A 51 14.446 10.708 -8.482 1.00 10.44 C ATOM 787 CE1 PHE A 51 13.639 11.710 -6.050 1.00 71.13 C ATOM 788 CE2 PHE A 51 15.361 11.372 -7.622 1.00 53.31 C ATOM 789 CZ PHE A 51 14.938 11.859 -6.425 1.00 11.14 C ATOM 0 H PHE A 51 12.042 6.970 -9.959 1.00 33.32 H new ATOM 0 HA PHE A 51 11.853 8.367 -7.452 1.00 41.43 H new ATOM 0 HB2 PHE A 51 12.619 9.730 -10.016 1.00 63.25 H new ATOM 0 HB3 PHE A 51 11.279 10.472 -9.163 1.00 63.25 H new ATOM 0 HD1 PHE A 51 11.692 10.928 -6.613 1.00 1.01 H new ATOM 0 HD2 PHE A 51 14.782 10.322 -9.433 1.00 10.44 H new ATOM 0 HE1 PHE A 51 13.303 12.096 -5.099 1.00 71.13 H new ATOM 0 HE2 PHE A 51 16.393 11.490 -7.919 1.00 53.31 H new ATOM 0 HZ PHE A 51 15.634 12.364 -5.772 1.00 11.14 H new ATOM 799 N GLY A 52 9.511 7.791 -7.843 1.00 61.31 N ATOM 800 CA GLY A 52 8.085 7.557 -7.997 1.00 23.20 C ATOM 801 C GLY A 52 7.402 7.421 -6.635 1.00 13.42 C ATOM 802 O GLY A 52 7.122 8.421 -5.975 1.00 20.24 O ATOM 0 H GLY A 52 9.885 7.554 -6.924 1.00 61.31 H new ATOM 0 HA2 GLY A 52 7.636 8.380 -8.553 1.00 23.20 H new ATOM 0 HA3 GLY A 52 7.922 6.651 -8.582 1.00 23.20 H new ATOM 806 N ARG A 53 7.152 6.177 -6.255 1.00 25.13 N ATOM 807 CA ARG A 53 6.507 5.898 -4.983 1.00 60.21 C ATOM 808 C ARG A 53 6.820 4.470 -4.531 1.00 72.01 C ATOM 809 O ARG A 53 7.109 4.235 -3.359 1.00 13.53 O ATOM 810 CB ARG A 53 4.990 6.072 -5.085 1.00 45.43 C ATOM 811 CG ARG A 53 4.609 6.817 -6.366 1.00 44.14 C ATOM 812 CD ARG A 53 3.090 6.932 -6.502 1.00 53.42 C ATOM 813 NE ARG A 53 2.508 5.609 -6.822 1.00 3.53 N ATOM 814 CZ ARG A 53 1.279 5.431 -7.350 1.00 61.34 C ATOM 815 NH1 ARG A 53 0.490 6.491 -7.624 1.00 10.42 N ATOM 816 NH2 ARG A 53 0.860 4.203 -7.596 1.00 2.22 N ATOM 0 H ARG A 53 7.384 5.350 -6.806 1.00 25.13 H new ATOM 0 HA ARG A 53 6.895 6.608 -4.252 1.00 60.21 H new ATOM 0 HB2 ARG A 53 4.506 5.095 -5.071 1.00 45.43 H new ATOM 0 HB3 ARG A 53 4.624 6.622 -4.218 1.00 45.43 H new ATOM 0 HG2 ARG A 53 5.053 7.812 -6.358 1.00 44.14 H new ATOM 0 HG3 ARG A 53 5.016 6.293 -7.231 1.00 44.14 H new ATOM 0 HD2 ARG A 53 2.661 7.312 -5.575 1.00 53.42 H new ATOM 0 HD3 ARG A 53 2.840 7.647 -7.285 1.00 53.42 H new ATOM 0 HE ARG A 53 3.071 4.780 -6.631 1.00 3.53 H new ATOM 0 HH11 ARG A 53 0.821 7.436 -7.432 1.00 10.42 H new ATOM 0 HH12 ARG A 53 -0.438 6.347 -8.023 1.00 10.42 H new ATOM 0 HH21 ARG A 53 1.463 3.407 -7.387 1.00 2.22 H new ATOM 0 HH22 ARG A 53 -0.066 4.051 -7.995 1.00 2.22 H new ATOM 829 N ASN A 54 6.752 3.553 -5.485 1.00 55.00 N ATOM 830 CA ASN A 54 7.024 2.155 -5.200 1.00 31.53 C ATOM 831 C ASN A 54 8.537 1.935 -5.146 1.00 60.34 C ATOM 832 O ASN A 54 9.218 2.027 -6.167 1.00 13.34 O ATOM 833 CB ASN A 54 6.453 1.248 -6.292 1.00 13.21 C ATOM 834 CG ASN A 54 5.536 0.179 -5.694 1.00 24.15 C ATOM 835 OD1 ASN A 54 4.380 0.041 -6.058 1.00 23.42 O ATOM 836 ND2 ASN A 54 6.115 -0.567 -4.757 1.00 65.22 N ATOM 0 H ASN A 54 6.512 3.751 -6.456 1.00 55.00 H new ATOM 0 HA ASN A 54 6.557 1.909 -4.246 1.00 31.53 H new ATOM 0 HB2 ASN A 54 5.897 1.847 -7.013 1.00 13.21 H new ATOM 0 HB3 ASN A 54 7.268 0.770 -6.836 1.00 13.21 H new ATOM 0 HD21 ASN A 54 5.587 -1.308 -4.296 1.00 65.22 H new ATOM 0 HD22 ASN A 54 7.087 -0.398 -4.500 1.00 65.22 H new ATOM 843 N PRO A 55 9.032 1.640 -3.914 1.00 71.04 N ATOM 844 CA PRO A 55 10.452 1.406 -3.715 1.00 10.24 C ATOM 845 C PRO A 55 10.861 0.031 -4.246 1.00 44.11 C ATOM 846 O PRO A 55 12.037 -0.208 -4.519 1.00 73.04 O ATOM 847 CB PRO A 55 10.668 1.553 -2.217 1.00 70.32 C ATOM 848 CG PRO A 55 9.295 1.402 -1.581 1.00 45.34 C ATOM 849 CD PRO A 55 8.256 1.522 -2.683 1.00 74.15 C ATOM 0 HA PRO A 55 11.076 2.110 -4.265 1.00 10.24 H new ATOM 0 HB2 PRO A 55 11.356 0.794 -1.845 1.00 70.32 H new ATOM 0 HB3 PRO A 55 11.104 2.523 -1.979 1.00 70.32 H new ATOM 0 HG2 PRO A 55 9.210 0.438 -1.080 1.00 45.34 H new ATOM 0 HG3 PRO A 55 9.139 2.170 -0.823 1.00 45.34 H new ATOM 0 HD2 PRO A 55 7.604 0.649 -2.709 1.00 74.15 H new ATOM 0 HD3 PRO A 55 7.618 2.393 -2.532 1.00 74.15 H new ATOM 857 N ASP A 56 9.869 -0.837 -4.377 1.00 0.12 N ATOM 858 CA ASP A 56 10.111 -2.182 -4.871 1.00 2.21 C ATOM 859 C ASP A 56 10.716 -2.104 -6.274 1.00 53.32 C ATOM 860 O ASP A 56 11.280 -3.080 -6.766 1.00 52.21 O ATOM 861 CB ASP A 56 8.808 -2.978 -4.961 1.00 61.30 C ATOM 862 CG ASP A 56 8.960 -4.409 -5.482 1.00 35.15 C ATOM 863 OD1 ASP A 56 8.710 -5.383 -4.755 1.00 41.42 O ATOM 864 OD2 ASP A 56 9.357 -4.505 -6.705 1.00 4.11 O ATOM 0 H ASP A 56 8.895 -0.635 -4.150 1.00 0.12 H new ATOM 0 HA ASP A 56 10.790 -2.679 -4.178 1.00 2.21 H new ATOM 0 HB2 ASP A 56 8.352 -3.014 -3.971 1.00 61.30 H new ATOM 0 HB3 ASP A 56 8.116 -2.442 -5.611 1.00 61.30 H new ATOM 870 N LEU A 57 10.577 -0.933 -6.879 1.00 61.22 N ATOM 871 CA LEU A 57 11.103 -0.715 -8.216 1.00 55.13 C ATOM 872 C LEU A 57 12.075 0.466 -8.191 1.00 30.01 C ATOM 873 O LEU A 57 13.169 0.386 -8.747 1.00 70.15 O ATOM 874 CB LEU A 57 9.960 -0.549 -9.220 1.00 61.45 C ATOM 875 CG LEU A 57 8.588 -1.051 -8.765 1.00 24.24 C ATOM 876 CD1 LEU A 57 7.478 -0.501 -9.662 1.00 33.54 C ATOM 877 CD2 LEU A 57 8.561 -2.579 -8.689 1.00 72.11 C ATOM 0 H LEU A 57 10.108 -0.126 -6.468 1.00 61.22 H new ATOM 0 HA LEU A 57 11.667 -1.586 -8.550 1.00 55.13 H new ATOM 0 HB2 LEU A 57 9.873 0.508 -9.470 1.00 61.45 H new ATOM 0 HB3 LEU A 57 10.230 -1.072 -10.137 1.00 61.45 H new ATOM 0 HG LEU A 57 8.403 -0.676 -7.758 1.00 24.24 H new ATOM 0 HD11 LEU A 57 6.513 -0.873 -9.317 1.00 33.54 H new ATOM 0 HD12 LEU A 57 7.483 0.588 -9.620 1.00 33.54 H new ATOM 0 HD13 LEU A 57 7.646 -0.826 -10.689 1.00 33.54 H new ATOM 0 HD21 LEU A 57 7.575 -2.910 -8.363 1.00 72.11 H new ATOM 0 HD22 LEU A 57 8.777 -2.996 -9.673 1.00 72.11 H new ATOM 0 HD23 LEU A 57 9.312 -2.921 -7.977 1.00 72.11 H new ATOM 889 N CYS A 58 11.641 1.535 -7.539 1.00 71.24 N ATOM 890 CA CYS A 58 12.459 2.731 -7.434 1.00 65.22 C ATOM 891 C CYS A 58 13.249 2.659 -6.126 1.00 12.15 C ATOM 892 O CYS A 58 12.947 1.840 -5.259 1.00 2.23 O ATOM 893 CB CYS A 58 11.615 4.004 -7.522 1.00 61.34 C ATOM 894 SG CYS A 58 10.572 3.959 -9.025 1.00 54.40 S ATOM 0 H CYS A 58 10.733 1.597 -7.078 1.00 71.24 H new ATOM 0 HA CYS A 58 13.152 2.775 -8.274 1.00 65.22 H new ATOM 0 HB2 CYS A 58 10.987 4.096 -6.636 1.00 61.34 H new ATOM 0 HB3 CYS A 58 12.264 4.880 -7.545 1.00 61.34 H new ATOM 0 HG CYS A 58 9.356 4.301 -8.719 1.00 54.40 H new ATOM 900 N ASP A 59 14.244 3.527 -6.024 1.00 3.43 N ATOM 901 CA ASP A 59 15.079 3.573 -4.835 1.00 62.13 C ATOM 902 C ASP A 59 14.519 4.614 -3.864 1.00 25.34 C ATOM 903 O ASP A 59 14.615 4.448 -2.648 1.00 50.25 O ATOM 904 CB ASP A 59 16.513 3.975 -5.185 1.00 2.42 C ATOM 905 CG ASP A 59 17.583 3.459 -4.220 1.00 40.44 C ATOM 906 OD1 ASP A 59 18.182 4.232 -3.458 1.00 12.42 O ATOM 907 OD2 ASP A 59 17.797 2.188 -4.273 1.00 12.33 O ATOM 0 H ASP A 59 14.491 4.205 -6.745 1.00 3.43 H new ATOM 0 HA ASP A 59 15.082 2.580 -4.386 1.00 62.13 H new ATOM 0 HB2 ASP A 59 16.742 3.611 -6.186 1.00 2.42 H new ATOM 0 HB3 ASP A 59 16.571 5.063 -5.220 1.00 2.42 H new ATOM 913 N PHE A 60 13.948 5.663 -4.435 1.00 53.24 N ATOM 914 CA PHE A 60 13.373 6.731 -3.635 1.00 34.21 C ATOM 915 C PHE A 60 11.844 6.657 -3.639 1.00 44.01 C ATOM 916 O PHE A 60 11.268 5.675 -4.105 1.00 40.53 O ATOM 917 CB PHE A 60 13.809 8.052 -4.271 1.00 64.23 C ATOM 918 CG PHE A 60 15.215 8.502 -3.867 1.00 53.44 C ATOM 919 CD1 PHE A 60 16.080 7.613 -3.311 1.00 2.22 C ATOM 920 CD2 PHE A 60 15.598 9.792 -4.065 1.00 2.21 C ATOM 921 CE1 PHE A 60 17.384 8.031 -2.936 1.00 4.41 C ATOM 922 CE2 PHE A 60 16.902 10.210 -3.690 1.00 5.41 C ATOM 923 CZ PHE A 60 17.768 9.321 -3.133 1.00 50.14 C ATOM 0 H PHE A 60 13.871 5.797 -5.443 1.00 53.24 H new ATOM 0 HA PHE A 60 13.712 6.645 -2.603 1.00 34.21 H new ATOM 0 HB2 PHE A 60 13.768 7.952 -5.356 1.00 64.23 H new ATOM 0 HB3 PHE A 60 13.096 8.829 -3.995 1.00 64.23 H new ATOM 0 HD1 PHE A 60 15.775 6.589 -3.155 1.00 2.22 H new ATOM 0 HD2 PHE A 60 14.911 10.498 -4.507 1.00 2.21 H new ATOM 0 HE1 PHE A 60 18.071 7.325 -2.494 1.00 4.41 H new ATOM 0 HE2 PHE A 60 17.207 11.234 -3.847 1.00 5.41 H new ATOM 0 HZ PHE A 60 18.760 9.639 -2.847 1.00 50.14 H new ATOM 933 N THR A 61 11.232 7.708 -3.114 1.00 53.04 N ATOM 934 CA THR A 61 9.781 7.775 -3.052 1.00 25.33 C ATOM 935 C THR A 61 9.315 9.232 -3.022 1.00 25.31 C ATOM 936 O THR A 61 9.612 9.963 -2.078 1.00 72.21 O ATOM 937 CB THR A 61 9.323 6.965 -1.837 1.00 50.12 C ATOM 938 OG1 THR A 61 10.317 7.227 -0.850 1.00 53.01 O ATOM 939 CG2 THR A 61 9.418 5.456 -2.070 1.00 33.21 C ATOM 0 H THR A 61 11.714 8.520 -2.728 1.00 53.04 H new ATOM 0 HA THR A 61 9.326 7.340 -3.942 1.00 25.33 H new ATOM 0 HB THR A 61 8.295 7.230 -1.591 1.00 50.12 H new ATOM 0 HG1 THR A 61 10.486 8.191 -0.804 1.00 53.01 H new ATOM 0 HG21 THR A 61 9.081 4.928 -1.178 1.00 33.21 H new ATOM 0 HG22 THR A 61 8.788 5.178 -2.915 1.00 33.21 H new ATOM 0 HG23 THR A 61 10.452 5.185 -2.283 1.00 33.21 H new ATOM 947 N ILE A 62 8.594 9.610 -4.066 1.00 53.15 N ATOM 948 CA ILE A 62 8.084 10.967 -4.172 1.00 33.41 C ATOM 949 C ILE A 62 7.038 11.200 -3.080 1.00 75.21 C ATOM 950 O ILE A 62 6.827 12.332 -2.649 1.00 54.53 O ATOM 951 CB ILE A 62 7.567 11.236 -5.587 1.00 1.45 C ATOM 952 CG1 ILE A 62 8.598 10.817 -6.636 1.00 62.32 C ATOM 953 CG2 ILE A 62 7.148 12.699 -5.747 1.00 51.05 C ATOM 954 CD1 ILE A 62 8.144 11.216 -8.042 1.00 35.45 C ATOM 0 H ILE A 62 8.350 9.001 -4.847 1.00 53.15 H new ATOM 0 HA ILE A 62 8.884 11.689 -4.007 1.00 33.41 H new ATOM 0 HB ILE A 62 6.678 10.626 -5.749 1.00 1.45 H new ATOM 0 HG12 ILE A 62 9.558 11.283 -6.414 1.00 62.32 H new ATOM 0 HG13 ILE A 62 8.750 9.739 -6.591 1.00 62.32 H new ATOM 0 HG21 ILE A 62 6.784 12.865 -6.761 1.00 51.05 H new ATOM 0 HG22 ILE A 62 6.356 12.931 -5.035 1.00 51.05 H new ATOM 0 HG23 ILE A 62 8.005 13.346 -5.559 1.00 51.05 H new ATOM 0 HD11 ILE A 62 8.895 10.906 -8.768 1.00 35.45 H new ATOM 0 HD12 ILE A 62 7.196 10.729 -8.270 1.00 35.45 H new ATOM 0 HD13 ILE A 62 8.017 12.297 -8.090 1.00 35.45 H new ATOM 966 N ASP A 63 6.410 10.110 -2.664 1.00 70.30 N ATOM 967 CA ASP A 63 5.391 10.181 -1.631 1.00 12.23 C ATOM 968 C ASP A 63 4.226 11.040 -2.128 1.00 4.44 C ATOM 969 O ASP A 63 3.880 12.043 -1.504 1.00 74.52 O ATOM 970 CB ASP A 63 5.942 10.824 -0.357 1.00 25.24 C ATOM 971 CG ASP A 63 4.921 11.012 0.767 1.00 24.32 C ATOM 972 OD1 ASP A 63 4.143 10.099 1.082 1.00 2.23 O ATOM 973 OD2 ASP A 63 4.945 12.169 1.337 1.00 74.10 O ATOM 0 H ASP A 63 6.587 9.172 -3.024 1.00 70.30 H new ATOM 0 HA ASP A 63 5.064 9.165 -1.410 1.00 12.23 H new ATOM 0 HB2 ASP A 63 6.762 10.210 0.016 1.00 25.24 H new ATOM 0 HB3 ASP A 63 6.363 11.797 -0.612 1.00 25.24 H new ATOM 979 N HIS A 64 3.655 10.617 -3.245 1.00 60.23 N ATOM 980 CA HIS A 64 2.537 11.335 -3.833 1.00 71.10 C ATOM 981 C HIS A 64 1.673 10.366 -4.643 1.00 63.20 C ATOM 982 O HIS A 64 2.195 9.531 -5.380 1.00 23.42 O ATOM 983 CB HIS A 64 3.029 12.524 -4.660 1.00 64.24 C ATOM 984 CG HIS A 64 2.112 13.723 -4.620 1.00 30.44 C ATOM 985 ND1 HIS A 64 0.895 13.713 -3.960 1.00 4.52 N ATOM 986 CD2 HIS A 64 2.246 14.967 -5.162 1.00 65.33 C ATOM 987 CE1 HIS A 64 0.331 14.903 -4.106 1.00 43.22 C ATOM 988 NE2 HIS A 64 1.170 15.678 -4.852 1.00 51.42 N ATOM 0 H HIS A 64 3.945 9.785 -3.759 1.00 60.23 H new ATOM 0 HA HIS A 64 1.912 11.751 -3.043 1.00 71.10 H new ATOM 0 HB2 HIS A 64 4.014 12.821 -4.300 1.00 64.24 H new ATOM 0 HB3 HIS A 64 3.151 12.207 -5.696 1.00 64.24 H new ATOM 0 HD2 HIS A 64 3.086 15.315 -5.745 1.00 65.33 H new ATOM 0 HE1 HIS A 64 -0.625 15.206 -3.705 1.00 43.22 H new ATOM 0 HE2 HIS A 64 0.998 16.645 -5.126 1.00 51.42 H new ATOM 996 N GLN A 65 0.366 10.510 -4.479 1.00 65.41 N ATOM 997 CA GLN A 65 -0.575 9.657 -5.186 1.00 3.52 C ATOM 998 C GLN A 65 -0.612 10.025 -6.670 1.00 51.15 C ATOM 999 O GLN A 65 -0.834 9.165 -7.521 1.00 70.22 O ATOM 1000 CB GLN A 65 -1.969 9.747 -4.563 1.00 74.15 C ATOM 1001 CG GLN A 65 -2.728 10.966 -5.091 1.00 51.40 C ATOM 1002 CD GLN A 65 -4.105 11.082 -4.434 1.00 71.21 C ATOM 1003 OE1 GLN A 65 -4.292 11.764 -3.440 1.00 51.32 O ATOM 1004 NE2 GLN A 65 -5.056 10.378 -5.043 1.00 3.51 N ATOM 0 H GLN A 65 -0.064 11.204 -3.867 1.00 65.41 H new ATOM 0 HA GLN A 65 -0.239 8.624 -5.097 1.00 3.52 H new ATOM 0 HB2 GLN A 65 -2.530 8.840 -4.787 1.00 74.15 H new ATOM 0 HB3 GLN A 65 -1.883 9.810 -3.478 1.00 74.15 H new ATOM 0 HG2 GLN A 65 -2.151 11.870 -4.897 1.00 51.40 H new ATOM 0 HG3 GLN A 65 -2.842 10.887 -6.172 1.00 51.40 H new ATOM 0 HE21 GLN A 65 -4.831 9.828 -5.872 1.00 3.51 H new ATOM 0 HE22 GLN A 65 -6.009 10.389 -4.681 1.00 3.51 H new ATOM 1013 N SER A 66 -0.392 11.304 -6.936 1.00 42.24 N ATOM 1014 CA SER A 66 -0.398 11.796 -8.304 1.00 4.24 C ATOM 1015 C SER A 66 0.697 11.099 -9.115 1.00 55.41 C ATOM 1016 O SER A 66 0.429 10.552 -10.184 1.00 14.14 O ATOM 1017 CB SER A 66 -0.204 13.313 -8.344 1.00 5.22 C ATOM 1018 OG SER A 66 -1.437 14.013 -8.207 1.00 14.01 O ATOM 0 H SER A 66 -0.208 12.015 -6.228 1.00 42.24 H new ATOM 0 HA SER A 66 -1.368 11.569 -8.745 1.00 4.24 H new ATOM 0 HB2 SER A 66 0.474 13.613 -7.545 1.00 5.22 H new ATOM 0 HB3 SER A 66 0.269 13.593 -9.285 1.00 5.22 H new ATOM 0 HG SER A 66 -1.270 14.978 -8.236 1.00 14.01 H new ATOM 1024 N CYS A 67 1.906 11.142 -8.577 1.00 3.54 N ATOM 1025 CA CYS A 67 3.042 10.522 -9.237 1.00 41.12 C ATOM 1026 C CYS A 67 2.704 9.053 -9.496 1.00 34.32 C ATOM 1027 O CYS A 67 1.569 8.627 -9.285 1.00 21.10 O ATOM 1028 CB CYS A 67 4.326 10.677 -8.419 1.00 71.23 C ATOM 1029 SG CYS A 67 4.636 12.446 -8.070 1.00 42.14 S ATOM 0 H CYS A 67 2.124 11.597 -7.691 1.00 3.54 H new ATOM 0 HA CYS A 67 3.232 11.023 -10.186 1.00 41.12 H new ATOM 0 HB2 CYS A 67 4.240 10.123 -7.484 1.00 71.23 H new ATOM 0 HB3 CYS A 67 5.168 10.253 -8.965 1.00 71.23 H new ATOM 0 HG CYS A 67 5.336 12.963 -9.036 1.00 42.14 H new ATOM 1035 N SER A 68 3.709 8.318 -9.949 1.00 33.11 N ATOM 1036 CA SER A 68 3.532 6.905 -10.238 1.00 52.05 C ATOM 1037 C SER A 68 4.717 6.106 -9.692 1.00 13.45 C ATOM 1038 O SER A 68 5.718 6.684 -9.271 1.00 20.10 O ATOM 1039 CB SER A 68 3.379 6.666 -11.742 1.00 23.11 C ATOM 1040 OG SER A 68 3.723 5.332 -12.108 1.00 12.21 O ATOM 0 H SER A 68 4.649 8.674 -10.123 1.00 33.11 H new ATOM 0 HA SER A 68 2.618 6.568 -9.748 1.00 52.05 H new ATOM 0 HB2 SER A 68 2.350 6.870 -12.039 1.00 23.11 H new ATOM 0 HB3 SER A 68 4.012 7.366 -12.287 1.00 23.11 H new ATOM 0 HG SER A 68 3.611 5.219 -13.075 1.00 12.21 H new ATOM 1046 N ARG A 69 4.564 4.791 -9.715 1.00 73.40 N ATOM 1047 CA ARG A 69 5.609 3.907 -9.227 1.00 35.33 C ATOM 1048 C ARG A 69 6.980 4.399 -9.692 1.00 65.10 C ATOM 1049 O ARG A 69 7.903 4.526 -8.889 1.00 25.30 O ATOM 1050 CB ARG A 69 5.394 2.475 -9.720 1.00 73.44 C ATOM 1051 CG ARG A 69 4.262 1.793 -8.949 1.00 74.13 C ATOM 1052 CD ARG A 69 2.930 1.938 -9.689 1.00 31.43 C ATOM 1053 NE ARG A 69 2.060 0.776 -9.397 1.00 1.34 N ATOM 1054 CZ ARG A 69 1.425 0.583 -8.221 1.00 52.22 C ATOM 1055 NH1 ARG A 69 1.557 1.475 -7.216 1.00 63.32 N ATOM 1056 NH2 ARG A 69 0.672 -0.491 -8.069 1.00 41.54 N ATOM 0 H ARG A 69 3.732 4.316 -10.064 1.00 73.40 H new ATOM 0 HA ARG A 69 5.567 3.914 -8.138 1.00 35.33 H new ATOM 0 HB2 ARG A 69 5.159 2.485 -10.784 1.00 73.44 H new ATOM 0 HB3 ARG A 69 6.315 1.904 -9.602 1.00 73.44 H new ATOM 0 HG2 ARG A 69 4.494 0.737 -8.814 1.00 74.13 H new ATOM 0 HG3 ARG A 69 4.179 2.231 -7.954 1.00 74.13 H new ATOM 0 HD2 ARG A 69 2.434 2.860 -9.385 1.00 31.43 H new ATOM 0 HD3 ARG A 69 3.107 2.010 -10.762 1.00 31.43 H new ATOM 0 HE ARG A 69 1.932 0.078 -10.130 1.00 1.34 H new ATOM 0 HH11 ARG A 69 2.140 2.302 -7.342 1.00 63.32 H new ATOM 0 HH12 ARG A 69 1.074 1.321 -6.331 1.00 63.32 H new ATOM 0 HH21 ARG A 69 0.577 -1.160 -8.833 1.00 41.54 H new ATOM 0 HH22 ARG A 69 0.185 -0.652 -7.187 1.00 41.54 H new ATOM 1069 N VAL A 70 7.071 4.663 -10.987 1.00 70.22 N ATOM 1070 CA VAL A 70 8.315 5.138 -11.569 1.00 13.30 C ATOM 1071 C VAL A 70 8.060 6.460 -12.296 1.00 60.04 C ATOM 1072 O VAL A 70 8.180 6.533 -13.518 1.00 42.33 O ATOM 1073 CB VAL A 70 8.913 4.062 -12.477 1.00 31.21 C ATOM 1074 CG1 VAL A 70 10.431 4.220 -12.588 1.00 33.40 C ATOM 1075 CG2 VAL A 70 8.542 2.661 -11.985 1.00 53.41 C ATOM 0 H VAL A 70 6.303 4.557 -11.650 1.00 70.22 H new ATOM 0 HA VAL A 70 9.052 5.332 -10.790 1.00 13.30 H new ATOM 0 HB VAL A 70 8.489 4.190 -13.473 1.00 31.21 H new ATOM 0 HG11 VAL A 70 10.831 3.443 -13.239 1.00 33.40 H new ATOM 0 HG12 VAL A 70 10.665 5.199 -13.006 1.00 33.40 H new ATOM 0 HG13 VAL A 70 10.879 4.131 -11.599 1.00 33.40 H new ATOM 0 HG21 VAL A 70 8.980 1.915 -12.648 1.00 53.41 H new ATOM 0 HG22 VAL A 70 8.924 2.517 -10.974 1.00 53.41 H new ATOM 0 HG23 VAL A 70 7.457 2.552 -11.982 1.00 53.41 H new ATOM 1085 N HIS A 71 7.713 7.472 -11.514 1.00 70.44 N ATOM 1086 CA HIS A 71 7.440 8.787 -12.069 1.00 23.22 C ATOM 1087 C HIS A 71 8.577 9.193 -13.009 1.00 74.25 C ATOM 1088 O HIS A 71 8.331 9.680 -14.112 1.00 33.31 O ATOM 1089 CB HIS A 71 7.200 9.807 -10.954 1.00 61.02 C ATOM 1090 CG HIS A 71 6.912 11.203 -11.452 1.00 11.45 C ATOM 1091 ND1 HIS A 71 5.797 11.924 -11.060 1.00 32.52 N ATOM 1092 CD2 HIS A 71 7.605 12.004 -12.311 1.00 50.11 C ATOM 1093 CE1 HIS A 71 5.827 13.103 -11.663 1.00 61.43 C ATOM 1094 NE2 HIS A 71 6.948 13.150 -12.439 1.00 2.42 N ATOM 0 H HIS A 71 7.615 7.408 -10.501 1.00 70.44 H new ATOM 0 HA HIS A 71 6.523 8.755 -12.657 1.00 23.22 H new ATOM 0 HB2 HIS A 71 6.363 9.471 -10.342 1.00 61.02 H new ATOM 0 HB3 HIS A 71 8.077 9.836 -10.307 1.00 61.02 H new ATOM 0 HD2 HIS A 71 8.532 11.749 -12.804 1.00 50.11 H new ATOM 0 HE1 HIS A 71 5.093 13.889 -11.559 1.00 61.43 H new ATOM 0 HE2 HIS A 71 7.234 13.937 -13.022 1.00 2.42 H new ATOM 1103 N ALA A 72 9.796 8.977 -12.539 1.00 44.43 N ATOM 1104 CA ALA A 72 10.971 9.315 -13.325 1.00 25.24 C ATOM 1105 C ALA A 72 12.198 8.627 -12.721 1.00 13.21 C ATOM 1106 O ALA A 72 12.085 7.910 -11.728 1.00 65.42 O ATOM 1107 CB ALA A 72 11.126 10.836 -13.384 1.00 63.24 C ATOM 0 H ALA A 72 9.996 8.572 -11.624 1.00 44.43 H new ATOM 0 HA ALA A 72 10.863 8.958 -14.349 1.00 25.24 H new ATOM 0 HB1 ALA A 72 12.007 11.089 -13.973 1.00 63.24 H new ATOM 0 HB2 ALA A 72 10.242 11.274 -13.847 1.00 63.24 H new ATOM 0 HB3 ALA A 72 11.240 11.230 -12.374 1.00 63.24 H new ATOM 1113 N ALA A 73 13.340 8.871 -13.346 1.00 24.53 N ATOM 1114 CA ALA A 73 14.586 8.284 -12.882 1.00 64.35 C ATOM 1115 C ALA A 73 15.736 9.256 -13.156 1.00 33.12 C ATOM 1116 O ALA A 73 15.734 9.956 -14.167 1.00 50.02 O ATOM 1117 CB ALA A 73 14.796 6.928 -13.561 1.00 14.24 C ATOM 0 H ALA A 73 13.429 9.467 -14.169 1.00 24.53 H new ATOM 0 HA ALA A 73 14.550 8.109 -11.807 1.00 64.35 H new ATOM 0 HB1 ALA A 73 15.730 6.488 -13.213 1.00 14.24 H new ATOM 0 HB2 ALA A 73 13.968 6.265 -13.313 1.00 14.24 H new ATOM 0 HB3 ALA A 73 14.840 7.065 -14.641 1.00 14.24 H new ATOM 1123 N LEU A 74 16.689 9.268 -12.236 1.00 45.03 N ATOM 1124 CA LEU A 74 17.842 10.143 -12.366 1.00 25.25 C ATOM 1125 C LEU A 74 18.999 9.365 -12.996 1.00 43.02 C ATOM 1126 O LEU A 74 19.032 8.137 -12.936 1.00 23.14 O ATOM 1127 CB LEU A 74 18.190 10.775 -11.016 1.00 34.51 C ATOM 1128 CG LEU A 74 19.527 11.515 -10.946 1.00 54.32 C ATOM 1129 CD1 LEU A 74 19.543 12.508 -9.782 1.00 41.13 C ATOM 1130 CD2 LEU A 74 20.696 10.531 -10.877 1.00 12.04 C ATOM 0 H LEU A 74 16.687 8.686 -11.398 1.00 45.03 H new ATOM 0 HA LEU A 74 17.615 10.975 -13.033 1.00 25.25 H new ATOM 0 HB2 LEU A 74 17.397 11.473 -10.749 1.00 34.51 H new ATOM 0 HB3 LEU A 74 18.192 9.990 -10.260 1.00 34.51 H new ATOM 0 HG LEU A 74 19.647 12.092 -11.863 1.00 54.32 H new ATOM 0 HD11 LEU A 74 20.504 13.021 -9.754 1.00 41.13 H new ATOM 0 HD12 LEU A 74 18.746 13.239 -9.916 1.00 41.13 H new ATOM 0 HD13 LEU A 74 19.390 11.973 -8.845 1.00 41.13 H new ATOM 0 HD21 LEU A 74 21.634 11.084 -10.828 1.00 12.04 H new ATOM 0 HD22 LEU A 74 20.595 9.908 -9.988 1.00 12.04 H new ATOM 0 HD23 LEU A 74 20.693 9.899 -11.765 1.00 12.04 H new ATOM 1142 N VAL A 75 19.920 10.112 -13.587 1.00 50.23 N ATOM 1143 CA VAL A 75 21.075 9.508 -14.229 1.00 5.15 C ATOM 1144 C VAL A 75 22.252 10.485 -14.175 1.00 53.23 C ATOM 1145 O VAL A 75 22.140 11.622 -14.631 1.00 50.12 O ATOM 1146 CB VAL A 75 20.719 9.079 -15.653 1.00 54.12 C ATOM 1147 CG1 VAL A 75 21.937 8.496 -16.372 1.00 2.53 C ATOM 1148 CG2 VAL A 75 19.556 8.085 -15.651 1.00 72.23 C ATOM 0 H VAL A 75 19.890 11.130 -13.635 1.00 50.23 H new ATOM 0 HA VAL A 75 21.377 8.605 -13.699 1.00 5.15 H new ATOM 0 HB VAL A 75 20.401 9.967 -16.200 1.00 54.12 H new ATOM 0 HG11 VAL A 75 21.656 8.199 -17.382 1.00 2.53 H new ATOM 0 HG12 VAL A 75 22.725 9.248 -16.421 1.00 2.53 H new ATOM 0 HG13 VAL A 75 22.300 7.625 -15.826 1.00 2.53 H new ATOM 0 HG21 VAL A 75 19.323 7.796 -16.676 1.00 72.23 H new ATOM 0 HG22 VAL A 75 19.835 7.200 -15.079 1.00 72.23 H new ATOM 0 HG23 VAL A 75 18.681 8.550 -15.197 1.00 72.23 H new ATOM 1158 N TYR A 76 23.352 10.006 -13.615 1.00 5.23 N ATOM 1159 CA TYR A 76 24.548 10.823 -13.496 1.00 2.20 C ATOM 1160 C TYR A 76 25.442 10.670 -14.729 1.00 34.04 C ATOM 1161 O TYR A 76 26.086 9.638 -14.908 1.00 74.44 O ATOM 1162 CB TYR A 76 25.297 10.298 -12.269 1.00 43.55 C ATOM 1163 CG TYR A 76 26.469 11.180 -11.832 1.00 20.40 C ATOM 1164 CD1 TYR A 76 26.255 12.233 -10.967 1.00 13.31 C ATOM 1165 CD2 TYR A 76 27.741 10.921 -12.302 1.00 75.34 C ATOM 1166 CE1 TYR A 76 27.358 13.063 -10.555 1.00 75.32 C ATOM 1167 CE2 TYR A 76 28.843 11.750 -11.891 1.00 4.04 C ATOM 1168 CZ TYR A 76 28.597 12.780 -11.037 1.00 44.14 C ATOM 1169 OH TYR A 76 29.639 13.563 -10.648 1.00 50.45 O ATOM 0 H TYR A 76 23.441 9.062 -13.238 1.00 5.23 H new ATOM 0 HA TYR A 76 24.285 11.877 -13.406 1.00 2.20 H new ATOM 0 HB2 TYR A 76 24.596 10.206 -11.440 1.00 43.55 H new ATOM 0 HB3 TYR A 76 25.670 9.296 -12.484 1.00 43.55 H new ATOM 0 HD1 TYR A 76 25.260 12.435 -10.599 1.00 13.31 H new ATOM 0 HD2 TYR A 76 27.909 10.096 -12.978 1.00 75.34 H new ATOM 0 HE1 TYR A 76 27.204 13.891 -9.879 1.00 75.32 H new ATOM 0 HE2 TYR A 76 29.843 11.559 -12.252 1.00 4.04 H new ATOM 0 HH TYR A 76 29.317 14.471 -10.468 1.00 50.45 H new ATOM 1179 N HIS A 77 25.452 11.713 -15.546 1.00 31.22 N ATOM 1180 CA HIS A 77 26.256 11.707 -16.756 1.00 53.23 C ATOM 1181 C HIS A 77 27.719 11.437 -16.400 1.00 12.15 C ATOM 1182 O HIS A 77 28.157 11.738 -15.290 1.00 40.54 O ATOM 1183 CB HIS A 77 26.067 13.008 -17.540 1.00 33.51 C ATOM 1184 CG HIS A 77 25.997 12.818 -19.037 1.00 5.15 C ATOM 1185 ND1 HIS A 77 24.945 12.913 -19.899 1.00 63.55 N flip ATOM 1186 CD2 HIS A 77 27.102 12.490 -19.802 1.00 43.52 C flip ATOM 1187 CE1 HIS A 77 25.384 12.659 -21.126 1.00 11.03 C flip ATOM 1188 NE2 HIS A 77 26.721 12.395 -21.068 1.00 31.43 N flip ATOM 0 H HIS A 77 24.916 12.568 -15.394 1.00 31.22 H new ATOM 0 HA HIS A 77 25.924 10.903 -17.413 1.00 53.23 H new ATOM 0 HB2 HIS A 77 25.152 13.494 -17.202 1.00 33.51 H new ATOM 0 HB3 HIS A 77 26.891 13.683 -17.308 1.00 33.51 H new ATOM 0 HD1 HIS A 77 23.984 13.141 -19.644 1.00 63.55 H new ATOM 0 HD2 HIS A 77 28.105 12.337 -19.431 1.00 43.52 H new ATOM 0 HE1 HIS A 77 24.782 12.661 -22.022 1.00 11.03 H new ATOM 1196 N LYS A 78 28.434 10.872 -17.361 1.00 22.01 N ATOM 1197 CA LYS A 78 29.839 10.558 -17.162 1.00 71.13 C ATOM 1198 C LYS A 78 30.690 11.450 -18.069 1.00 14.04 C ATOM 1199 O LYS A 78 31.709 11.986 -17.638 1.00 3.24 O ATOM 1200 CB LYS A 78 30.087 9.062 -17.364 1.00 61.41 C ATOM 1201 CG LYS A 78 30.135 8.710 -18.852 1.00 64.33 C ATOM 1202 CD LYS A 78 29.978 7.203 -19.065 1.00 25.44 C ATOM 1203 CE LYS A 78 31.315 6.481 -18.883 1.00 44.21 C ATOM 1204 NZ LYS A 78 31.288 5.163 -19.554 1.00 62.55 N ATOM 0 H LYS A 78 28.067 10.623 -18.280 1.00 22.01 H new ATOM 0 HA LYS A 78 30.135 10.771 -16.135 1.00 71.13 H new ATOM 0 HB2 LYS A 78 31.026 8.778 -16.889 1.00 61.41 H new ATOM 0 HB3 LYS A 78 29.298 8.490 -16.877 1.00 61.41 H new ATOM 0 HG2 LYS A 78 29.342 9.240 -19.380 1.00 64.33 H new ATOM 0 HG3 LYS A 78 31.081 9.044 -19.278 1.00 64.33 H new ATOM 0 HD2 LYS A 78 29.248 6.807 -18.360 1.00 25.44 H new ATOM 0 HD3 LYS A 78 29.591 7.012 -20.066 1.00 25.44 H new ATOM 0 HE2 LYS A 78 32.122 7.088 -19.294 1.00 44.21 H new ATOM 0 HE3 LYS A 78 31.523 6.351 -17.821 1.00 44.21 H new ATOM 0 HZ1 LYS A 78 32.203 4.687 -19.421 1.00 62.55 H new ATOM 0 HZ2 LYS A 78 30.531 4.580 -19.144 1.00 62.55 H new ATOM 0 HZ3 LYS A 78 31.111 5.294 -20.570 1.00 62.55 H new ATOM 1217 N HIS A 79 30.239 11.582 -19.307 1.00 71.55 N ATOM 1218 CA HIS A 79 30.946 12.399 -20.278 1.00 51.52 C ATOM 1219 C HIS A 79 30.755 13.879 -19.939 1.00 54.10 C ATOM 1220 O HIS A 79 31.455 14.738 -20.473 1.00 72.21 O ATOM 1221 CB HIS A 79 30.505 12.056 -21.702 1.00 73.23 C ATOM 1222 CG HIS A 79 30.289 10.580 -21.939 1.00 63.01 C ATOM 1223 ND1 HIS A 79 31.312 9.722 -22.304 1.00 41.11 N ATOM 1224 CD2 HIS A 79 29.160 9.820 -21.858 1.00 75.02 C ATOM 1225 CE1 HIS A 79 30.809 8.503 -22.435 1.00 40.53 C ATOM 1226 NE2 HIS A 79 29.475 8.566 -22.159 1.00 52.31 N ATOM 0 H HIS A 79 29.392 11.137 -19.660 1.00 71.55 H new ATOM 0 HA HIS A 79 32.014 12.185 -20.229 1.00 51.52 H new ATOM 0 HB2 HIS A 79 29.580 12.588 -21.923 1.00 73.23 H new ATOM 0 HB3 HIS A 79 31.257 12.420 -22.402 1.00 73.23 H new ATOM 0 HD1 HIS A 79 32.287 9.984 -22.448 1.00 41.11 H new ATOM 0 HD2 HIS A 79 28.176 10.178 -21.594 1.00 75.02 H new ATOM 0 HE1 HIS A 79 31.359 7.616 -22.712 1.00 40.53 H new ATOM 1234 N LEU A 80 29.803 14.132 -19.053 1.00 34.42 N ATOM 1235 CA LEU A 80 29.510 15.492 -18.636 1.00 2.52 C ATOM 1236 C LEU A 80 29.843 15.649 -17.151 1.00 5.02 C ATOM 1237 O LEU A 80 30.154 16.748 -16.693 1.00 64.42 O ATOM 1238 CB LEU A 80 28.067 15.861 -18.984 1.00 53.13 C ATOM 1239 CG LEU A 80 27.666 15.688 -20.451 1.00 14.13 C ATOM 1240 CD1 LEU A 80 26.263 16.244 -20.705 1.00 2.43 C ATOM 1241 CD2 LEU A 80 28.707 16.313 -21.381 1.00 62.43 C ATOM 0 H LEU A 80 29.224 13.417 -18.612 1.00 34.42 H new ATOM 0 HA LEU A 80 30.136 16.199 -19.180 1.00 2.52 H new ATOM 0 HB2 LEU A 80 27.400 15.254 -18.372 1.00 53.13 H new ATOM 0 HB3 LEU A 80 27.901 16.901 -18.703 1.00 53.13 H new ATOM 0 HG LEU A 80 27.635 14.621 -20.673 1.00 14.13 H new ATOM 0 HD11 LEU A 80 26.003 16.109 -21.755 1.00 2.43 H new ATOM 0 HD12 LEU A 80 25.543 15.714 -20.081 1.00 2.43 H new ATOM 0 HD13 LEU A 80 26.243 17.306 -20.460 1.00 2.43 H new ATOM 0 HD21 LEU A 80 28.398 16.176 -22.417 1.00 62.43 H new ATOM 0 HD22 LEU A 80 28.794 17.378 -21.166 1.00 62.43 H new ATOM 0 HD23 LEU A 80 29.672 15.831 -21.223 1.00 62.43 H new ATOM 1253 N LYS A 81 29.767 14.534 -16.439 1.00 64.03 N ATOM 1254 CA LYS A 81 30.057 14.534 -15.015 1.00 62.44 C ATOM 1255 C LYS A 81 28.970 15.317 -14.278 1.00 12.52 C ATOM 1256 O LYS A 81 29.255 16.018 -13.308 1.00 14.40 O ATOM 1257 CB LYS A 81 31.473 15.053 -14.757 1.00 12.24 C ATOM 1258 CG LYS A 81 32.522 14.082 -15.302 1.00 33.10 C ATOM 1259 CD LYS A 81 32.890 14.427 -16.746 1.00 41.23 C ATOM 1260 CE LYS A 81 33.747 15.693 -16.806 1.00 12.42 C ATOM 1261 NZ LYS A 81 33.686 16.297 -18.156 1.00 3.12 N ATOM 0 H LYS A 81 29.509 13.624 -16.822 1.00 64.03 H new ATOM 0 HA LYS A 81 30.039 13.518 -14.622 1.00 62.44 H new ATOM 0 HB2 LYS A 81 31.597 16.029 -15.226 1.00 12.24 H new ATOM 0 HB3 LYS A 81 31.623 15.193 -13.686 1.00 12.24 H new ATOM 0 HG2 LYS A 81 33.414 14.117 -14.677 1.00 33.10 H new ATOM 0 HG3 LYS A 81 32.139 13.063 -15.254 1.00 33.10 H new ATOM 0 HD2 LYS A 81 33.432 13.595 -17.196 1.00 41.23 H new ATOM 0 HD3 LYS A 81 31.982 14.570 -17.332 1.00 41.23 H new ATOM 0 HE2 LYS A 81 33.398 16.411 -16.064 1.00 12.42 H new ATOM 0 HE3 LYS A 81 34.780 15.452 -16.555 1.00 12.42 H new ATOM 0 HZ1 LYS A 81 34.273 17.155 -18.179 1.00 3.12 H new ATOM 0 HZ2 LYS A 81 34.041 15.616 -18.857 1.00 3.12 H new ATOM 0 HZ3 LYS A 81 32.701 16.545 -18.381 1.00 3.12 H new ATOM 1274 N ARG A 82 27.747 15.173 -14.766 1.00 34.32 N ATOM 1275 CA ARG A 82 26.615 15.858 -14.165 1.00 42.50 C ATOM 1276 C ARG A 82 25.477 14.871 -13.898 1.00 1.43 C ATOM 1277 O ARG A 82 25.669 13.659 -13.983 1.00 51.43 O ATOM 1278 CB ARG A 82 26.106 16.980 -15.073 1.00 32.14 C ATOM 1279 CG ARG A 82 27.090 17.253 -16.212 1.00 74.41 C ATOM 1280 CD ARG A 82 26.473 18.184 -17.258 1.00 2.34 C ATOM 1281 NE ARG A 82 27.471 19.186 -17.694 1.00 2.20 N ATOM 1282 CZ ARG A 82 27.856 20.245 -16.950 1.00 25.42 C ATOM 1283 NH1 ARG A 82 27.329 20.448 -15.724 1.00 4.33 N ATOM 1284 NH2 ARG A 82 28.756 21.077 -17.439 1.00 2.40 N ATOM 0 H ARG A 82 27.515 14.592 -15.571 1.00 34.32 H new ATOM 0 HA ARG A 82 26.952 16.292 -13.223 1.00 42.50 H new ATOM 0 HB2 ARG A 82 25.134 16.707 -15.485 1.00 32.14 H new ATOM 0 HB3 ARG A 82 25.960 17.888 -14.488 1.00 32.14 H new ATOM 0 HG2 ARG A 82 27.999 17.701 -15.812 1.00 74.41 H new ATOM 0 HG3 ARG A 82 27.378 16.313 -16.682 1.00 74.41 H new ATOM 0 HD2 ARG A 82 26.129 17.605 -18.115 1.00 2.34 H new ATOM 0 HD3 ARG A 82 25.600 18.686 -16.841 1.00 2.34 H new ATOM 0 HE ARG A 82 27.895 19.069 -18.614 1.00 2.20 H new ATOM 0 HH11 ARG A 82 26.635 19.799 -15.353 1.00 4.33 H new ATOM 0 HH12 ARG A 82 27.625 21.250 -15.168 1.00 4.33 H new ATOM 0 HH21 ARG A 82 29.150 20.915 -18.366 1.00 2.40 H new ATOM 0 HH22 ARG A 82 29.058 21.882 -16.890 1.00 2.40 H new ATOM 1297 N VAL A 83 24.317 15.427 -13.579 1.00 62.04 N ATOM 1298 CA VAL A 83 23.148 14.611 -13.299 1.00 63.41 C ATOM 1299 C VAL A 83 22.077 14.881 -14.357 1.00 50.14 C ATOM 1300 O VAL A 83 22.124 15.898 -15.047 1.00 53.43 O ATOM 1301 CB VAL A 83 22.659 14.870 -11.873 1.00 14.01 C ATOM 1302 CG1 VAL A 83 21.408 14.045 -11.564 1.00 71.20 C ATOM 1303 CG2 VAL A 83 23.765 14.591 -10.854 1.00 64.20 C ATOM 0 H VAL A 83 24.162 16.433 -13.508 1.00 62.04 H new ATOM 0 HA VAL A 83 23.399 13.552 -13.355 1.00 63.41 H new ATOM 0 HB VAL A 83 22.393 15.924 -11.797 1.00 14.01 H new ATOM 0 HG11 VAL A 83 21.081 14.248 -10.544 1.00 71.20 H new ATOM 0 HG12 VAL A 83 20.614 14.314 -12.260 1.00 71.20 H new ATOM 0 HG13 VAL A 83 21.637 12.984 -11.667 1.00 71.20 H new ATOM 0 HG21 VAL A 83 23.390 14.783 -9.849 1.00 64.20 H new ATOM 0 HG22 VAL A 83 24.077 13.550 -10.932 1.00 64.20 H new ATOM 0 HG23 VAL A 83 24.617 15.241 -11.054 1.00 64.20 H new ATOM 1313 N PHE A 84 21.137 13.953 -14.452 1.00 73.43 N ATOM 1314 CA PHE A 84 20.055 14.078 -15.415 1.00 4.01 C ATOM 1315 C PHE A 84 18.760 13.477 -14.866 1.00 11.12 C ATOM 1316 O PHE A 84 18.795 12.562 -14.045 1.00 1.04 O ATOM 1317 CB PHE A 84 20.476 13.300 -16.663 1.00 74.23 C ATOM 1318 CG PHE A 84 21.281 14.125 -17.669 1.00 61.21 C ATOM 1319 CD1 PHE A 84 22.617 14.305 -17.486 1.00 73.33 C ATOM 1320 CD2 PHE A 84 20.662 14.678 -18.746 1.00 15.21 C ATOM 1321 CE1 PHE A 84 23.364 15.070 -18.420 1.00 3.33 C ATOM 1322 CE2 PHE A 84 21.409 15.444 -19.679 1.00 61.23 C ATOM 1323 CZ PHE A 84 22.745 15.624 -19.497 1.00 33.34 C ATOM 0 H PHE A 84 21.102 13.111 -13.878 1.00 73.43 H new ATOM 0 HA PHE A 84 19.871 15.130 -15.634 1.00 4.01 H new ATOM 0 HB2 PHE A 84 21.069 12.438 -16.358 1.00 74.23 H new ATOM 0 HB3 PHE A 84 19.584 12.914 -17.156 1.00 74.23 H new ATOM 0 HD1 PHE A 84 23.109 13.866 -16.631 1.00 73.33 H new ATOM 0 HD2 PHE A 84 19.602 14.534 -18.892 1.00 15.21 H new ATOM 0 HE1 PHE A 84 24.425 15.212 -18.275 1.00 3.33 H new ATOM 0 HE2 PHE A 84 20.916 15.884 -20.534 1.00 61.23 H new ATOM 0 HZ PHE A 84 23.314 16.206 -20.207 1.00 33.34 H new ATOM 1333 N LEU A 85 17.647 14.016 -15.341 1.00 40.23 N ATOM 1334 CA LEU A 85 16.343 13.545 -14.908 1.00 74.33 C ATOM 1335 C LEU A 85 15.543 13.080 -16.127 1.00 14.30 C ATOM 1336 O LEU A 85 15.112 13.897 -16.940 1.00 3.34 O ATOM 1337 CB LEU A 85 15.633 14.617 -14.079 1.00 42.33 C ATOM 1338 CG LEU A 85 14.192 14.306 -13.672 1.00 74.10 C ATOM 1339 CD1 LEU A 85 13.939 12.797 -13.661 1.00 11.15 C ATOM 1340 CD2 LEU A 85 13.849 14.955 -12.330 1.00 32.25 C ATOM 0 H LEU A 85 17.622 14.775 -16.022 1.00 40.23 H new ATOM 0 HA LEU A 85 16.449 12.684 -14.248 1.00 74.33 H new ATOM 0 HB2 LEU A 85 16.215 14.793 -13.174 1.00 42.33 H new ATOM 0 HB3 LEU A 85 15.636 15.548 -14.646 1.00 42.33 H new ATOM 0 HG LEU A 85 13.525 14.739 -14.418 1.00 74.10 H new ATOM 0 HD11 LEU A 85 12.907 12.603 -13.368 1.00 11.15 H new ATOM 0 HD12 LEU A 85 14.116 12.391 -14.657 1.00 11.15 H new ATOM 0 HD13 LEU A 85 14.613 12.320 -12.950 1.00 11.15 H new ATOM 0 HD21 LEU A 85 12.819 14.718 -12.064 1.00 32.25 H new ATOM 0 HD22 LEU A 85 14.519 14.574 -11.560 1.00 32.25 H new ATOM 0 HD23 LEU A 85 13.964 16.036 -12.409 1.00 32.25 H new ATOM 1352 N ILE A 86 15.367 11.770 -16.216 1.00 4.04 N ATOM 1353 CA ILE A 86 14.627 11.187 -17.321 1.00 53.15 C ATOM 1354 C ILE A 86 13.162 11.016 -16.914 1.00 72.24 C ATOM 1355 O ILE A 86 12.836 10.150 -16.103 1.00 44.42 O ATOM 1356 CB ILE A 86 15.291 9.890 -17.787 1.00 43.00 C ATOM 1357 CG1 ILE A 86 16.792 9.905 -17.489 1.00 10.22 C ATOM 1358 CG2 ILE A 86 15.004 9.627 -19.266 1.00 75.25 C ATOM 1359 CD1 ILE A 86 17.543 8.940 -18.408 1.00 4.11 C ATOM 0 H ILE A 86 15.725 11.095 -15.540 1.00 4.04 H new ATOM 0 HA ILE A 86 14.643 11.853 -18.183 1.00 53.15 H new ATOM 0 HB ILE A 86 14.858 9.064 -17.223 1.00 43.00 H new ATOM 0 HG12 ILE A 86 17.182 10.914 -17.619 1.00 10.22 H new ATOM 0 HG13 ILE A 86 16.963 9.629 -16.448 1.00 10.22 H new ATOM 0 HG21 ILE A 86 15.488 8.699 -19.571 1.00 75.25 H new ATOM 0 HG22 ILE A 86 13.928 9.542 -19.418 1.00 75.25 H new ATOM 0 HG23 ILE A 86 15.391 10.452 -19.864 1.00 75.25 H new ATOM 0 HD11 ILE A 86 18.607 8.970 -18.175 1.00 4.11 H new ATOM 0 HD12 ILE A 86 17.167 7.928 -18.258 1.00 4.11 H new ATOM 0 HD13 ILE A 86 17.390 9.233 -19.447 1.00 4.11 H new ATOM 1371 N ASP A 87 12.317 11.854 -17.496 1.00 42.53 N ATOM 1372 CA ASP A 87 10.895 11.807 -17.204 1.00 74.33 C ATOM 1373 C ASP A 87 10.288 10.559 -17.848 1.00 72.54 C ATOM 1374 O ASP A 87 9.980 10.557 -19.039 1.00 41.43 O ATOM 1375 CB ASP A 87 10.174 13.030 -17.774 1.00 1.32 C ATOM 1376 CG ASP A 87 8.671 13.084 -17.493 1.00 40.41 C ATOM 1377 OD1 ASP A 87 8.203 13.887 -16.672 1.00 2.03 O ATOM 1378 OD2 ASP A 87 7.960 12.246 -18.168 1.00 31.34 O ATOM 0 H ASP A 87 12.590 12.570 -18.169 1.00 42.53 H new ATOM 0 HA ASP A 87 10.774 11.790 -16.121 1.00 74.33 H new ATOM 0 HB2 ASP A 87 10.637 13.929 -17.366 1.00 1.32 H new ATOM 0 HB3 ASP A 87 10.328 13.054 -18.853 1.00 1.32 H new ATOM 1384 N LEU A 88 10.134 9.526 -17.033 1.00 12.15 N ATOM 1385 CA LEU A 88 9.569 8.274 -17.508 1.00 2.42 C ATOM 1386 C LEU A 88 8.068 8.453 -17.740 1.00 35.31 C ATOM 1387 O LEU A 88 7.257 8.087 -16.890 1.00 73.44 O ATOM 1388 CB LEU A 88 9.912 7.133 -16.548 1.00 11.43 C ATOM 1389 CG LEU A 88 11.399 6.933 -16.247 1.00 52.41 C ATOM 1390 CD1 LEU A 88 11.636 5.616 -15.507 1.00 61.40 C ATOM 1391 CD2 LEU A 88 12.235 7.032 -17.525 1.00 35.31 C ATOM 0 H LEU A 88 10.391 9.530 -16.046 1.00 12.15 H new ATOM 0 HA LEU A 88 10.009 7.996 -18.466 1.00 2.42 H new ATOM 0 HB2 LEU A 88 9.392 7.308 -15.606 1.00 11.43 H new ATOM 0 HB3 LEU A 88 9.518 6.205 -16.962 1.00 11.43 H new ATOM 0 HG LEU A 88 11.725 7.736 -15.586 1.00 52.41 H new ATOM 0 HD11 LEU A 88 12.701 5.498 -15.305 1.00 61.40 H new ATOM 0 HD12 LEU A 88 11.087 5.624 -14.565 1.00 61.40 H new ATOM 0 HD13 LEU A 88 11.289 4.786 -16.122 1.00 61.40 H new ATOM 0 HD21 LEU A 88 13.288 6.886 -17.283 1.00 35.31 H new ATOM 0 HD22 LEU A 88 11.915 6.264 -18.230 1.00 35.31 H new ATOM 0 HD23 LEU A 88 12.099 8.016 -17.974 1.00 35.31 H new ATOM 1403 N ASN A 89 7.742 9.015 -18.894 1.00 43.35 N ATOM 1404 CA ASN A 89 6.352 9.247 -19.249 1.00 63.31 C ATOM 1405 C ASN A 89 5.553 9.563 -17.983 1.00 45.21 C ATOM 1406 O ASN A 89 4.528 8.937 -17.719 1.00 42.00 O ATOM 1407 CB ASN A 89 5.736 8.007 -19.899 1.00 60.53 C ATOM 1408 CG ASN A 89 6.413 6.730 -19.396 1.00 61.05 C ATOM 1409 OD1 ASN A 89 7.659 6.571 -19.833 1.00 20.12 O flip ATOM 1410 ND2 ASN A 89 5.842 5.942 -18.661 1.00 62.41 N flip ATOM 0 H ASN A 89 8.417 9.317 -19.596 1.00 43.35 H new ATOM 0 HA ASN A 89 6.318 10.078 -19.953 1.00 63.31 H new ATOM 0 HB2 ASN A 89 4.669 7.968 -19.678 1.00 60.53 H new ATOM 0 HB3 ASN A 89 5.835 8.073 -20.982 1.00 60.53 H new ATOM 0 HD21 ASN A 89 4.884 6.125 -18.363 1.00 62.41 H new ATOM 0 HD22 ASN A 89 6.323 5.100 -18.344 1.00 62.41 H new ATOM 1417 N SER A 90 6.053 10.535 -17.234 1.00 25.22 N ATOM 1418 CA SER A 90 5.399 10.942 -16.002 1.00 22.00 C ATOM 1419 C SER A 90 3.945 11.324 -16.284 1.00 12.53 C ATOM 1420 O SER A 90 3.659 12.013 -17.262 1.00 35.01 O ATOM 1421 CB SER A 90 6.138 12.110 -15.346 1.00 51.43 C ATOM 1422 OG SER A 90 5.372 12.708 -14.303 1.00 45.03 O ATOM 0 H SER A 90 6.903 11.052 -17.457 1.00 25.22 H new ATOM 0 HA SER A 90 5.419 10.101 -15.309 1.00 22.00 H new ATOM 0 HB2 SER A 90 7.087 11.758 -14.942 1.00 51.43 H new ATOM 0 HB3 SER A 90 6.372 12.861 -16.101 1.00 51.43 H new ATOM 0 HG SER A 90 5.970 13.184 -13.689 1.00 45.03 H new ATOM 1428 N THR A 91 3.065 10.861 -15.409 1.00 15.25 N ATOM 1429 CA THR A 91 1.647 11.146 -15.551 1.00 12.23 C ATOM 1430 C THR A 91 1.439 12.567 -16.079 1.00 32.13 C ATOM 1431 O THR A 91 0.683 12.776 -17.027 1.00 5.43 O ATOM 1432 CB THR A 91 0.976 10.896 -14.198 1.00 44.24 C ATOM 1433 OG1 THR A 91 -0.091 11.839 -14.161 1.00 13.13 O ATOM 1434 CG2 THR A 91 1.868 11.295 -13.020 1.00 55.14 C ATOM 0 H THR A 91 3.306 10.290 -14.599 1.00 15.25 H new ATOM 0 HA THR A 91 1.183 10.488 -16.286 1.00 12.23 H new ATOM 0 HB THR A 91 0.712 9.842 -14.112 1.00 44.24 H new ATOM 0 HG1 THR A 91 -0.581 11.746 -13.317 1.00 13.13 H new ATOM 0 HG21 THR A 91 1.345 11.097 -12.084 1.00 55.14 H new ATOM 0 HG22 THR A 91 2.791 10.715 -13.049 1.00 55.14 H new ATOM 0 HG23 THR A 91 2.105 12.357 -13.086 1.00 55.14 H new ATOM 1442 N HIS A 92 2.122 13.506 -15.442 1.00 2.51 N ATOM 1443 CA HIS A 92 2.022 14.902 -15.836 1.00 31.44 C ATOM 1444 C HIS A 92 3.255 15.295 -16.651 1.00 63.30 C ATOM 1445 O HIS A 92 3.177 15.443 -17.870 1.00 1.04 O ATOM 1446 CB HIS A 92 1.809 15.797 -14.613 1.00 61.14 C ATOM 1447 CG HIS A 92 1.083 15.120 -13.475 1.00 65.11 C ATOM 1448 ND1 HIS A 92 -0.282 15.234 -13.283 1.00 13.40 N ATOM 1449 CD2 HIS A 92 1.548 14.320 -12.473 1.00 34.42 C ATOM 1450 CE1 HIS A 92 -0.614 14.532 -12.210 1.00 71.40 C ATOM 1451 NE2 HIS A 92 0.521 13.966 -11.709 1.00 64.21 N ATOM 0 H HIS A 92 2.747 13.328 -14.656 1.00 2.51 H new ATOM 0 HA HIS A 92 1.149 15.042 -16.473 1.00 31.44 H new ATOM 0 HB2 HIS A 92 2.779 16.144 -14.256 1.00 61.14 H new ATOM 0 HB3 HIS A 92 1.246 16.680 -14.915 1.00 61.14 H new ATOM 0 HD1 HIS A 92 -0.924 15.768 -13.868 1.00 13.40 H new ATOM 0 HD2 HIS A 92 2.576 14.025 -12.326 1.00 34.42 H new ATOM 0 HE1 HIS A 92 -1.609 14.426 -11.803 1.00 71.40 H new ATOM 1459 N GLY A 93 4.366 15.452 -15.946 1.00 13.33 N ATOM 1460 CA GLY A 93 5.614 15.825 -16.589 1.00 2.43 C ATOM 1461 C GLY A 93 6.644 16.292 -15.558 1.00 20.13 C ATOM 1462 O GLY A 93 6.294 16.592 -14.417 1.00 70.33 O ATOM 0 H GLY A 93 4.428 15.328 -14.935 1.00 13.33 H new ATOM 0 HA2 GLY A 93 6.010 14.974 -17.144 1.00 2.43 H new ATOM 0 HA3 GLY A 93 5.431 16.620 -17.312 1.00 2.43 H new ATOM 1466 N THR A 94 7.893 16.339 -15.996 1.00 25.42 N ATOM 1467 CA THR A 94 8.976 16.764 -15.125 1.00 65.52 C ATOM 1468 C THR A 94 9.591 18.068 -15.636 1.00 53.22 C ATOM 1469 O THR A 94 9.610 18.320 -16.840 1.00 65.41 O ATOM 1470 CB THR A 94 9.983 15.615 -15.028 1.00 11.32 C ATOM 1471 OG1 THR A 94 9.206 14.510 -14.574 1.00 50.24 O ATOM 1472 CG2 THR A 94 11.010 15.830 -13.914 1.00 43.15 C ATOM 0 H THR A 94 8.180 16.090 -16.943 1.00 25.42 H new ATOM 0 HA THR A 94 8.613 16.984 -14.121 1.00 65.52 H new ATOM 0 HB THR A 94 10.499 15.503 -15.982 1.00 11.32 H new ATOM 0 HG1 THR A 94 8.921 13.973 -15.342 1.00 50.24 H new ATOM 0 HG21 THR A 94 11.700 14.987 -13.888 1.00 43.15 H new ATOM 0 HG22 THR A 94 11.566 16.748 -14.104 1.00 43.15 H new ATOM 0 HG23 THR A 94 10.496 15.908 -12.956 1.00 43.15 H new ATOM 1480 N PHE A 95 10.077 18.864 -14.695 1.00 41.13 N ATOM 1481 CA PHE A 95 10.690 20.137 -15.035 1.00 64.21 C ATOM 1482 C PHE A 95 11.998 20.338 -14.266 1.00 53.30 C ATOM 1483 O PHE A 95 12.286 19.604 -13.322 1.00 1.40 O ATOM 1484 CB PHE A 95 9.701 21.232 -14.631 1.00 62.15 C ATOM 1485 CG PHE A 95 8.711 21.613 -15.734 1.00 44.51 C ATOM 1486 CD1 PHE A 95 7.826 20.693 -16.202 1.00 24.31 C ATOM 1487 CD2 PHE A 95 8.716 22.873 -16.246 1.00 45.34 C ATOM 1488 CE1 PHE A 95 6.908 21.047 -17.225 1.00 71.22 C ATOM 1489 CE2 PHE A 95 7.798 23.227 -17.270 1.00 11.32 C ATOM 1490 CZ PHE A 95 6.913 22.307 -17.738 1.00 30.44 C ATOM 0 H PHE A 95 10.059 18.652 -13.697 1.00 41.13 H new ATOM 0 HA PHE A 95 10.918 20.168 -16.101 1.00 64.21 H new ATOM 0 HB2 PHE A 95 9.144 20.899 -13.756 1.00 62.15 H new ATOM 0 HB3 PHE A 95 10.259 22.120 -14.335 1.00 62.15 H new ATOM 0 HD1 PHE A 95 7.822 19.693 -15.795 1.00 24.31 H new ATOM 0 HD2 PHE A 95 9.418 23.604 -15.874 1.00 45.34 H new ATOM 0 HE1 PHE A 95 6.205 20.316 -17.596 1.00 71.22 H new ATOM 0 HE2 PHE A 95 7.803 24.227 -17.677 1.00 11.32 H new ATOM 0 HZ PHE A 95 6.214 22.576 -18.516 1.00 30.44 H new ATOM 1500 N LEU A 96 12.754 21.337 -14.699 1.00 32.43 N ATOM 1501 CA LEU A 96 14.024 21.644 -14.063 1.00 34.24 C ATOM 1502 C LEU A 96 13.982 23.072 -13.515 1.00 23.22 C ATOM 1503 O LEU A 96 14.834 23.894 -13.849 1.00 63.41 O ATOM 1504 CB LEU A 96 15.182 21.389 -15.029 1.00 23.02 C ATOM 1505 CG LEU A 96 16.581 21.712 -14.499 1.00 32.43 C ATOM 1506 CD1 LEU A 96 16.759 21.193 -13.070 1.00 51.24 C ATOM 1507 CD2 LEU A 96 17.661 21.177 -15.441 1.00 41.33 C ATOM 0 H LEU A 96 12.511 21.944 -15.482 1.00 32.43 H new ATOM 0 HA LEU A 96 14.196 20.982 -13.215 1.00 34.24 H new ATOM 0 HB2 LEU A 96 15.160 20.340 -15.323 1.00 23.02 H new ATOM 0 HB3 LEU A 96 15.012 21.976 -15.931 1.00 23.02 H new ATOM 0 HG LEU A 96 16.692 22.796 -14.465 1.00 32.43 H new ATOM 0 HD11 LEU A 96 17.761 21.435 -12.717 1.00 51.24 H new ATOM 0 HD12 LEU A 96 16.022 21.662 -12.418 1.00 51.24 H new ATOM 0 HD13 LEU A 96 16.621 20.112 -13.056 1.00 51.24 H new ATOM 0 HD21 LEU A 96 18.645 21.420 -15.041 1.00 41.33 H new ATOM 0 HD22 LEU A 96 17.562 20.095 -15.530 1.00 41.33 H new ATOM 0 HD23 LEU A 96 17.546 21.634 -16.424 1.00 41.33 H new ATOM 1519 N GLY A 97 12.983 23.323 -12.682 1.00 51.42 N ATOM 1520 CA GLY A 97 12.819 24.638 -12.085 1.00 24.22 C ATOM 1521 C GLY A 97 11.841 25.490 -12.895 1.00 14.41 C ATOM 1522 O GLY A 97 10.762 25.831 -12.412 1.00 72.01 O ATOM 0 H GLY A 97 12.279 22.638 -12.406 1.00 51.42 H new ATOM 0 HA2 GLY A 97 12.456 24.534 -11.063 1.00 24.22 H new ATOM 0 HA3 GLY A 97 13.785 25.140 -12.031 1.00 24.22 H new ATOM 1526 N HIS A 98 12.252 25.811 -14.113 1.00 23.32 N ATOM 1527 CA HIS A 98 11.425 26.617 -14.994 1.00 63.05 C ATOM 1528 C HIS A 98 11.495 26.058 -16.417 1.00 2.00 C ATOM 1529 O HIS A 98 11.083 26.719 -17.369 1.00 13.13 O ATOM 1530 CB HIS A 98 11.825 28.092 -14.916 1.00 65.45 C ATOM 1531 CG HIS A 98 12.837 28.509 -15.957 1.00 51.32 C ATOM 1532 ND1 HIS A 98 12.679 28.845 -17.270 1.00 61.52 N flip ATOM 1533 CD2 HIS A 98 14.190 28.616 -15.687 1.00 34.42 C flip ATOM 1534 CE1 HIS A 98 13.870 29.141 -17.774 1.00 54.22 C flip ATOM 1535 NE2 HIS A 98 14.809 28.999 -16.794 1.00 1.12 N flip ATOM 0 H HIS A 98 13.147 25.527 -14.510 1.00 23.32 H new ATOM 0 HA HIS A 98 10.385 26.565 -14.671 1.00 63.05 H new ATOM 0 HB2 HIS A 98 10.932 28.707 -15.026 1.00 65.45 H new ATOM 0 HB3 HIS A 98 12.232 28.296 -13.926 1.00 65.45 H new ATOM 0 HD1 HIS A 98 11.795 28.865 -17.778 1.00 61.52 H new ATOM 0 HD2 HIS A 98 14.661 28.420 -14.735 1.00 34.42 H new ATOM 0 HE1 HIS A 98 14.064 29.444 -18.792 1.00 54.22 H new ATOM 1543 N ILE A 99 12.021 24.846 -16.517 1.00 34.21 N ATOM 1544 CA ILE A 99 12.150 24.190 -17.807 1.00 51.21 C ATOM 1545 C ILE A 99 11.367 22.876 -17.787 1.00 62.31 C ATOM 1546 O ILE A 99 11.250 22.235 -16.744 1.00 20.31 O ATOM 1547 CB ILE A 99 13.625 24.022 -18.177 1.00 50.12 C ATOM 1548 CG1 ILE A 99 14.396 25.327 -17.965 1.00 75.14 C ATOM 1549 CG2 ILE A 99 13.775 23.493 -19.605 1.00 21.00 C ATOM 1550 CD1 ILE A 99 15.894 25.122 -18.194 1.00 64.31 C ATOM 0 H ILE A 99 12.363 24.301 -15.725 1.00 34.21 H new ATOM 0 HA ILE A 99 11.716 24.807 -18.594 1.00 51.21 H new ATOM 0 HB ILE A 99 14.062 23.278 -17.510 1.00 50.12 H new ATOM 0 HG12 ILE A 99 14.021 26.090 -18.647 1.00 75.14 H new ATOM 0 HG13 ILE A 99 14.226 25.694 -16.953 1.00 75.14 H new ATOM 0 HG21 ILE A 99 14.833 23.383 -19.843 1.00 21.00 H new ATOM 0 HG22 ILE A 99 13.281 22.525 -19.688 1.00 21.00 H new ATOM 0 HG23 ILE A 99 13.317 24.194 -20.303 1.00 21.00 H new ATOM 0 HD11 ILE A 99 16.418 26.065 -18.037 1.00 64.31 H new ATOM 0 HD12 ILE A 99 16.270 24.376 -17.494 1.00 64.31 H new ATOM 0 HD13 ILE A 99 16.062 24.779 -19.215 1.00 64.31 H new ATOM 1562 N ARG A 100 10.852 22.513 -18.953 1.00 13.34 N ATOM 1563 CA ARG A 100 10.083 21.287 -19.082 1.00 64.21 C ATOM 1564 C ARG A 100 10.936 20.192 -19.728 1.00 13.24 C ATOM 1565 O ARG A 100 11.722 20.466 -20.633 1.00 72.22 O ATOM 1566 CB ARG A 100 8.827 21.510 -19.927 1.00 5.23 C ATOM 1567 CG ARG A 100 9.163 21.510 -21.419 1.00 63.55 C ATOM 1568 CD ARG A 100 8.937 20.126 -22.032 1.00 31.33 C ATOM 1569 NE ARG A 100 7.578 19.642 -21.701 1.00 52.23 N ATOM 1570 CZ ARG A 100 6.482 19.895 -22.448 1.00 61.24 C ATOM 1571 NH1 ARG A 100 6.577 20.629 -23.577 1.00 50.31 N ATOM 1572 NH2 ARG A 100 5.317 19.413 -22.059 1.00 14.03 N ATOM 0 H ARG A 100 10.952 23.046 -19.817 1.00 13.34 H new ATOM 0 HA ARG A 100 9.783 20.977 -18.081 1.00 64.21 H new ATOM 0 HB2 ARG A 100 8.098 20.728 -19.715 1.00 5.23 H new ATOM 0 HB3 ARG A 100 8.365 22.459 -19.655 1.00 5.23 H new ATOM 0 HG2 ARG A 100 8.545 22.245 -21.935 1.00 63.55 H new ATOM 0 HG3 ARG A 100 10.201 21.810 -21.562 1.00 63.55 H new ATOM 0 HD2 ARG A 100 9.062 20.174 -23.114 1.00 31.33 H new ATOM 0 HD3 ARG A 100 9.683 19.426 -21.656 1.00 31.33 H new ATOM 0 HE ARG A 100 7.462 19.083 -20.856 1.00 52.23 H new ATOM 0 HH11 ARG A 100 7.482 20.997 -23.871 1.00 50.31 H new ATOM 0 HH12 ARG A 100 5.744 20.816 -24.136 1.00 50.31 H new ATOM 0 HH21 ARG A 100 5.254 18.858 -21.205 1.00 14.03 H new ATOM 0 HH22 ARG A 100 4.479 19.595 -22.612 1.00 14.03 H new ATOM 1585 N LEU A 101 10.751 18.976 -19.236 1.00 71.22 N ATOM 1586 CA LEU A 101 11.493 17.839 -19.754 1.00 20.22 C ATOM 1587 C LEU A 101 10.536 16.909 -20.502 1.00 61.31 C ATOM 1588 O LEU A 101 9.356 16.824 -20.165 1.00 3.03 O ATOM 1589 CB LEU A 101 12.268 17.149 -18.630 1.00 24.51 C ATOM 1590 CG LEU A 101 12.705 18.044 -17.468 1.00 62.44 C ATOM 1591 CD1 LEU A 101 13.450 17.236 -16.404 1.00 33.24 C ATOM 1592 CD2 LEU A 101 13.532 19.229 -17.971 1.00 10.14 C ATOM 0 H LEU A 101 10.098 18.753 -18.484 1.00 71.22 H new ATOM 0 HA LEU A 101 12.244 18.169 -20.472 1.00 20.22 H new ATOM 0 HB2 LEU A 101 11.650 16.345 -18.230 1.00 24.51 H new ATOM 0 HB3 LEU A 101 13.156 16.686 -19.059 1.00 24.51 H new ATOM 0 HG LEU A 101 11.811 18.452 -16.995 1.00 62.44 H new ATOM 0 HD11 LEU A 101 13.749 17.896 -15.590 1.00 33.24 H new ATOM 0 HD12 LEU A 101 12.796 16.455 -16.016 1.00 33.24 H new ATOM 0 HD13 LEU A 101 14.336 16.781 -16.847 1.00 33.24 H new ATOM 0 HD21 LEU A 101 13.830 19.849 -17.126 1.00 10.14 H new ATOM 0 HD22 LEU A 101 14.421 18.861 -18.483 1.00 10.14 H new ATOM 0 HD23 LEU A 101 12.934 19.822 -18.663 1.00 10.14 H new ATOM 1604 N GLU A 102 11.080 16.234 -21.504 1.00 43.12 N ATOM 1605 CA GLU A 102 10.290 15.313 -22.303 1.00 54.32 C ATOM 1606 C GLU A 102 10.134 13.977 -21.575 1.00 24.24 C ATOM 1607 O GLU A 102 11.006 13.582 -20.802 1.00 64.24 O ATOM 1608 CB GLU A 102 10.912 15.114 -23.687 1.00 13.42 C ATOM 1609 CG GLU A 102 11.341 16.452 -24.292 1.00 42.33 C ATOM 1610 CD GLU A 102 10.560 16.750 -25.574 1.00 23.10 C ATOM 1611 OE1 GLU A 102 10.372 15.852 -26.408 1.00 64.30 O ATOM 1612 OE2 GLU A 102 10.141 17.965 -25.688 1.00 23.44 O ATOM 0 H GLU A 102 12.059 16.307 -21.781 1.00 43.12 H new ATOM 0 HA GLU A 102 9.299 15.745 -22.445 1.00 54.32 H new ATOM 0 HB2 GLU A 102 11.775 14.452 -23.610 1.00 13.42 H new ATOM 0 HB3 GLU A 102 10.194 14.626 -24.346 1.00 13.42 H new ATOM 0 HG2 GLU A 102 11.178 17.251 -23.569 1.00 42.33 H new ATOM 0 HG3 GLU A 102 12.409 16.431 -24.509 1.00 42.33 H new ATOM 1620 N PRO A 103 8.988 13.300 -21.853 1.00 62.04 N ATOM 1621 CA PRO A 103 8.708 12.016 -21.233 1.00 55.24 C ATOM 1622 C PRO A 103 9.556 10.908 -21.860 1.00 34.50 C ATOM 1623 O PRO A 103 9.019 9.941 -22.400 1.00 45.45 O ATOM 1624 CB PRO A 103 7.215 11.804 -21.427 1.00 20.21 C ATOM 1625 CG PRO A 103 6.802 12.745 -22.546 1.00 53.43 C ATOM 1626 CD PRO A 103 7.933 13.737 -22.763 1.00 10.23 C ATOM 0 HA PRO A 103 8.966 11.994 -20.174 1.00 55.24 H new ATOM 0 HB2 PRO A 103 6.998 10.768 -21.688 1.00 20.21 H new ATOM 0 HB3 PRO A 103 6.667 12.023 -20.510 1.00 20.21 H new ATOM 0 HG2 PRO A 103 6.604 12.186 -23.461 1.00 53.43 H new ATOM 0 HG3 PRO A 103 5.881 13.267 -22.285 1.00 53.43 H new ATOM 0 HD2 PRO A 103 8.274 13.729 -23.798 1.00 10.23 H new ATOM 0 HD3 PRO A 103 7.615 14.755 -22.541 1.00 10.23 H new ATOM 1634 N HIS A 104 10.865 11.084 -21.766 1.00 64.14 N ATOM 1635 CA HIS A 104 11.793 10.110 -22.317 1.00 52.33 C ATOM 1636 C HIS A 104 13.180 10.742 -22.453 1.00 54.21 C ATOM 1637 O HIS A 104 14.183 10.132 -22.086 1.00 15.22 O ATOM 1638 CB HIS A 104 11.267 9.546 -23.638 1.00 74.42 C ATOM 1639 CG HIS A 104 10.600 8.197 -23.508 1.00 24.35 C ATOM 1640 ND1 HIS A 104 9.344 7.787 -23.844 1.00 25.11 N flip ATOM 1641 CD2 HIS A 104 11.242 7.092 -22.976 1.00 34.04 C flip ATOM 1642 CE1 HIS A 104 9.225 6.501 -23.536 1.00 20.20 C flip ATOM 1643 NE2 HIS A 104 10.401 6.069 -22.997 1.00 11.44 N flip ATOM 0 H HIS A 104 11.306 11.886 -21.317 1.00 64.14 H new ATOM 0 HA HIS A 104 11.883 9.263 -21.637 1.00 52.33 H new ATOM 0 HB2 HIS A 104 10.555 10.252 -24.065 1.00 74.42 H new ATOM 0 HB3 HIS A 104 12.095 9.464 -24.342 1.00 74.42 H new ATOM 0 HD2 HIS A 104 12.257 7.068 -22.606 1.00 34.04 H new ATOM 0 HE1 HIS A 104 8.343 5.897 -23.687 1.00 20.20 H new ATOM 0 HE2 HIS A 104 10.598 5.124 -22.668 1.00 11.44 H new ATOM 1651 N LYS A 105 13.192 11.957 -22.982 1.00 13.02 N ATOM 1652 CA LYS A 105 14.439 12.678 -23.171 1.00 12.53 C ATOM 1653 C LYS A 105 14.949 13.170 -21.815 1.00 10.23 C ATOM 1654 O LYS A 105 14.220 13.830 -21.075 1.00 62.32 O ATOM 1655 CB LYS A 105 14.261 13.794 -24.202 1.00 42.34 C ATOM 1656 CG LYS A 105 13.458 13.303 -25.408 1.00 52.24 C ATOM 1657 CD LYS A 105 14.102 13.759 -26.719 1.00 3.10 C ATOM 1658 CE LYS A 105 14.308 15.275 -26.730 1.00 41.24 C ATOM 1659 NZ LYS A 105 13.081 15.961 -27.194 1.00 43.21 N ATOM 0 H LYS A 105 12.358 12.460 -23.285 1.00 13.02 H new ATOM 0 HA LYS A 105 15.203 12.017 -23.579 1.00 12.53 H new ATOM 0 HB2 LYS A 105 13.752 14.641 -23.742 1.00 42.34 H new ATOM 0 HB3 LYS A 105 15.238 14.149 -24.531 1.00 42.34 H new ATOM 0 HG2 LYS A 105 13.395 12.215 -25.389 1.00 52.24 H new ATOM 0 HG3 LYS A 105 12.438 13.682 -25.349 1.00 52.24 H new ATOM 0 HD2 LYS A 105 15.060 13.257 -26.851 1.00 3.10 H new ATOM 0 HD3 LYS A 105 13.471 13.468 -27.559 1.00 3.10 H new ATOM 0 HE2 LYS A 105 14.568 15.620 -25.729 1.00 41.24 H new ATOM 0 HE3 LYS A 105 15.143 15.530 -27.382 1.00 41.24 H new ATOM 0 HZ1 LYS A 105 13.026 16.905 -26.761 1.00 43.21 H new ATOM 0 HZ2 LYS A 105 13.107 16.056 -28.229 1.00 43.21 H new ATOM 0 HZ3 LYS A 105 12.247 15.404 -26.918 1.00 43.21 H new ATOM 1672 N PRO A 106 16.230 12.821 -21.522 1.00 4.32 N ATOM 1673 CA PRO A 106 16.847 13.220 -20.268 1.00 34.12 C ATOM 1674 C PRO A 106 17.219 14.704 -20.287 1.00 35.11 C ATOM 1675 O PRO A 106 17.346 15.302 -21.354 1.00 54.02 O ATOM 1676 CB PRO A 106 18.052 12.307 -20.114 1.00 44.34 C ATOM 1677 CG PRO A 106 18.334 11.752 -21.501 1.00 71.11 C ATOM 1678 CD PRO A 106 17.123 12.041 -22.374 1.00 23.15 C ATOM 0 HA PRO A 106 16.174 13.116 -19.417 1.00 34.12 H new ATOM 0 HB2 PRO A 106 18.912 12.856 -19.731 1.00 44.34 H new ATOM 0 HB3 PRO A 106 17.846 11.504 -19.406 1.00 44.34 H new ATOM 0 HG2 PRO A 106 19.227 12.213 -21.922 1.00 71.11 H new ATOM 0 HG3 PRO A 106 18.522 10.679 -21.452 1.00 71.11 H new ATOM 0 HD2 PRO A 106 17.403 12.597 -23.268 1.00 23.15 H new ATOM 0 HD3 PRO A 106 16.647 11.119 -22.708 1.00 23.15 H new ATOM 1686 N GLN A 107 17.383 15.255 -19.093 1.00 54.44 N ATOM 1687 CA GLN A 107 17.738 16.658 -18.960 1.00 15.05 C ATOM 1688 C GLN A 107 18.747 16.844 -17.825 1.00 44.13 C ATOM 1689 O GLN A 107 18.418 16.645 -16.657 1.00 71.41 O ATOM 1690 CB GLN A 107 16.493 17.519 -18.733 1.00 5.23 C ATOM 1691 CG GLN A 107 16.862 18.856 -18.086 1.00 63.11 C ATOM 1692 CD GLN A 107 17.978 19.554 -18.867 1.00 73.53 C ATOM 1693 OE1 GLN A 107 17.986 19.593 -20.087 1.00 20.43 O ATOM 1694 NE2 GLN A 107 18.916 20.101 -18.099 1.00 74.52 N ATOM 0 H GLN A 107 17.277 14.756 -18.210 1.00 54.44 H new ATOM 0 HA GLN A 107 18.202 16.986 -19.890 1.00 15.05 H new ATOM 0 HB2 GLN A 107 15.991 17.697 -19.684 1.00 5.23 H new ATOM 0 HB3 GLN A 107 15.788 16.985 -18.096 1.00 5.23 H new ATOM 0 HG2 GLN A 107 15.983 19.500 -18.047 1.00 63.11 H new ATOM 0 HG3 GLN A 107 17.182 18.690 -17.057 1.00 63.11 H new ATOM 0 HE21 GLN A 107 18.848 20.032 -17.084 1.00 74.52 H new ATOM 0 HE22 GLN A 107 19.703 20.590 -18.525 1.00 74.52 H new ATOM 1703 N GLN A 108 19.957 17.224 -18.209 1.00 41.24 N ATOM 1704 CA GLN A 108 21.017 17.439 -17.239 1.00 42.42 C ATOM 1705 C GLN A 108 20.478 18.193 -16.022 1.00 14.11 C ATOM 1706 O GLN A 108 19.383 18.752 -16.069 1.00 2.43 O ATOM 1707 CB GLN A 108 22.194 18.187 -17.870 1.00 31.15 C ATOM 1708 CG GLN A 108 22.331 19.592 -17.279 1.00 31.32 C ATOM 1709 CD GLN A 108 23.436 20.379 -17.987 1.00 34.33 C ATOM 1710 OE1 GLN A 108 23.508 20.440 -19.203 1.00 52.20 O ATOM 1711 NE2 GLN A 108 24.290 20.975 -17.160 1.00 15.52 N ATOM 0 H GLN A 108 20.227 17.388 -19.179 1.00 41.24 H new ATOM 0 HA GLN A 108 21.382 16.467 -16.907 1.00 42.42 H new ATOM 0 HB2 GLN A 108 23.115 17.628 -17.705 1.00 31.15 H new ATOM 0 HB3 GLN A 108 22.051 18.255 -18.948 1.00 31.15 H new ATOM 0 HG2 GLN A 108 21.384 20.124 -17.372 1.00 31.32 H new ATOM 0 HG3 GLN A 108 22.554 19.522 -16.214 1.00 31.32 H new ATOM 0 HE21 GLN A 108 24.171 20.883 -16.151 1.00 15.52 H new ATOM 0 HE22 GLN A 108 25.064 21.524 -17.535 1.00 15.52 H new ATOM 1720 N ILE A 109 21.271 18.184 -14.961 1.00 32.44 N ATOM 1721 CA ILE A 109 20.886 18.859 -13.733 1.00 45.30 C ATOM 1722 C ILE A 109 22.109 19.562 -13.139 1.00 33.14 C ATOM 1723 O ILE A 109 23.041 18.907 -12.675 1.00 44.35 O ATOM 1724 CB ILE A 109 20.212 17.880 -12.771 1.00 31.43 C ATOM 1725 CG1 ILE A 109 19.181 17.016 -13.501 1.00 23.12 C ATOM 1726 CG2 ILE A 109 19.600 18.617 -11.578 1.00 20.54 C ATOM 1727 CD1 ILE A 109 17.932 17.829 -13.848 1.00 64.54 C ATOM 0 H ILE A 109 22.179 17.720 -14.926 1.00 32.44 H new ATOM 0 HA ILE A 109 20.142 19.629 -13.938 1.00 45.30 H new ATOM 0 HB ILE A 109 20.975 17.208 -12.378 1.00 31.43 H new ATOM 0 HG12 ILE A 109 19.621 16.611 -14.413 1.00 23.12 H new ATOM 0 HG13 ILE A 109 18.905 16.167 -12.876 1.00 23.12 H new ATOM 0 HG21 ILE A 109 19.127 17.898 -10.910 1.00 20.54 H new ATOM 0 HG22 ILE A 109 20.383 19.152 -11.040 1.00 20.54 H new ATOM 0 HG23 ILE A 109 18.853 19.327 -11.933 1.00 20.54 H new ATOM 0 HD11 ILE A 109 17.215 17.192 -14.366 1.00 64.54 H new ATOM 0 HD12 ILE A 109 17.481 18.212 -12.932 1.00 64.54 H new ATOM 0 HD13 ILE A 109 18.208 18.663 -14.493 1.00 64.54 H new ATOM 1739 N PRO A 110 22.063 20.921 -13.172 1.00 22.21 N ATOM 1740 CA PRO A 110 23.155 21.719 -12.642 1.00 44.31 C ATOM 1741 C PRO A 110 23.141 21.722 -11.112 1.00 70.22 C ATOM 1742 O PRO A 110 22.122 21.413 -10.497 1.00 14.01 O ATOM 1743 CB PRO A 110 22.957 23.103 -13.240 1.00 64.43 C ATOM 1744 CG PRO A 110 21.512 23.152 -13.707 1.00 34.11 C ATOM 1745 CD PRO A 110 20.975 21.730 -13.713 1.00 31.13 C ATOM 0 HA PRO A 110 24.134 21.320 -12.908 1.00 44.31 H new ATOM 0 HB2 PRO A 110 23.155 23.880 -12.501 1.00 64.43 H new ATOM 0 HB3 PRO A 110 23.642 23.271 -14.071 1.00 64.43 H new ATOM 0 HG2 PRO A 110 20.918 23.781 -13.044 1.00 34.11 H new ATOM 0 HG3 PRO A 110 21.448 23.588 -14.704 1.00 34.11 H new ATOM 0 HD2 PRO A 110 20.076 21.644 -13.103 1.00 31.13 H new ATOM 0 HD3 PRO A 110 20.708 21.412 -14.721 1.00 31.13 H new ATOM 1753 N ILE A 111 24.284 22.074 -10.542 1.00 70.21 N ATOM 1754 CA ILE A 111 24.416 22.121 -9.096 1.00 33.32 C ATOM 1755 C ILE A 111 23.553 23.258 -8.546 1.00 50.51 C ATOM 1756 O ILE A 111 23.320 24.252 -9.232 1.00 54.50 O ATOM 1757 CB ILE A 111 25.889 22.217 -8.695 1.00 1.12 C ATOM 1758 CG1 ILE A 111 26.733 21.194 -9.457 1.00 71.43 C ATOM 1759 CG2 ILE A 111 26.055 22.082 -7.180 1.00 11.12 C ATOM 1760 CD1 ILE A 111 26.165 19.783 -9.292 1.00 30.41 C ATOM 0 H ILE A 111 25.127 22.329 -11.056 1.00 70.21 H new ATOM 0 HA ILE A 111 24.048 21.197 -8.650 1.00 33.32 H new ATOM 0 HB ILE A 111 26.254 23.206 -8.972 1.00 1.12 H new ATOM 0 HG12 ILE A 111 26.762 21.457 -10.514 1.00 71.43 H new ATOM 0 HG13 ILE A 111 27.760 21.221 -9.093 1.00 71.43 H new ATOM 0 HG21 ILE A 111 27.112 22.154 -6.922 1.00 11.12 H new ATOM 0 HG22 ILE A 111 25.505 22.880 -6.681 1.00 11.12 H new ATOM 0 HG23 ILE A 111 25.667 21.116 -6.856 1.00 11.12 H new ATOM 0 HD11 ILE A 111 26.784 19.075 -9.844 1.00 30.41 H new ATOM 0 HD12 ILE A 111 26.160 19.514 -8.236 1.00 30.41 H new ATOM 0 HD13 ILE A 111 25.146 19.753 -9.679 1.00 30.41 H new ATOM 1772 N ASP A 112 23.103 23.075 -7.314 1.00 31.34 N ATOM 1773 CA ASP A 112 22.271 24.073 -6.664 1.00 1.40 C ATOM 1774 C ASP A 112 21.084 24.410 -7.569 1.00 63.42 C ATOM 1775 O ASP A 112 20.474 25.468 -7.431 1.00 14.34 O ATOM 1776 CB ASP A 112 23.054 25.363 -6.412 1.00 42.45 C ATOM 1777 CG ASP A 112 22.422 26.316 -5.395 1.00 61.25 C ATOM 1778 OD1 ASP A 112 21.643 25.897 -4.526 1.00 65.32 O ATOM 1779 OD2 ASP A 112 22.763 27.553 -5.522 1.00 41.44 O ATOM 0 H ASP A 112 23.299 22.249 -6.748 1.00 31.34 H new ATOM 0 HA ASP A 112 21.935 23.663 -5.712 1.00 1.40 H new ATOM 0 HB2 ASP A 112 24.055 25.101 -6.069 1.00 42.45 H new ATOM 0 HB3 ASP A 112 23.170 25.891 -7.359 1.00 42.45 H new ATOM 1785 N SER A 113 20.793 23.489 -8.476 1.00 64.42 N ATOM 1786 CA SER A 113 19.691 23.674 -9.404 1.00 53.11 C ATOM 1787 C SER A 113 18.360 23.428 -8.691 1.00 14.12 C ATOM 1788 O SER A 113 18.320 23.304 -7.468 1.00 2.44 O ATOM 1789 CB SER A 113 19.825 22.745 -10.612 1.00 62.10 C ATOM 1790 OG SER A 113 18.697 22.829 -11.479 1.00 10.14 O ATOM 0 H SER A 113 21.302 22.612 -8.588 1.00 64.42 H new ATOM 0 HA SER A 113 19.718 24.702 -9.766 1.00 53.11 H new ATOM 0 HB2 SER A 113 20.728 23.000 -11.167 1.00 62.10 H new ATOM 0 HB3 SER A 113 19.942 21.717 -10.268 1.00 62.10 H new ATOM 0 HG SER A 113 18.912 23.406 -12.241 1.00 10.14 H new ATOM 1796 N THR A 114 17.302 23.365 -9.486 1.00 33.51 N ATOM 1797 CA THR A 114 15.972 23.136 -8.946 1.00 23.41 C ATOM 1798 C THR A 114 15.082 22.459 -9.990 1.00 52.42 C ATOM 1799 O THR A 114 14.959 22.944 -11.114 1.00 65.42 O ATOM 1800 CB THR A 114 15.423 24.477 -8.456 1.00 44.13 C ATOM 1801 OG1 THR A 114 16.343 24.880 -7.445 1.00 40.32 O ATOM 1802 CG2 THR A 114 14.094 24.330 -7.713 1.00 71.24 C ATOM 0 H THR A 114 17.338 23.469 -10.500 1.00 33.51 H new ATOM 0 HA THR A 114 16.002 22.452 -8.098 1.00 23.41 H new ATOM 0 HB THR A 114 15.291 25.147 -9.306 1.00 44.13 H new ATOM 0 HG1 THR A 114 16.922 24.125 -7.210 1.00 40.32 H new ATOM 0 HG21 THR A 114 13.749 25.311 -7.387 1.00 71.24 H new ATOM 0 HG22 THR A 114 13.352 23.887 -8.378 1.00 71.24 H new ATOM 0 HG23 THR A 114 14.232 23.687 -6.844 1.00 71.24 H new ATOM 1810 N VAL A 115 14.483 21.351 -9.582 1.00 32.55 N ATOM 1811 CA VAL A 115 13.607 20.603 -10.468 1.00 21.23 C ATOM 1812 C VAL A 115 12.253 20.399 -9.786 1.00 74.42 C ATOM 1813 O VAL A 115 12.181 20.269 -8.565 1.00 64.31 O ATOM 1814 CB VAL A 115 14.275 19.288 -10.876 1.00 52.24 C ATOM 1815 CG1 VAL A 115 15.677 19.175 -10.274 1.00 35.22 C ATOM 1816 CG2 VAL A 115 13.410 18.089 -10.483 1.00 62.34 C ATOM 0 H VAL A 115 14.587 20.952 -8.649 1.00 32.55 H new ATOM 0 HA VAL A 115 13.427 21.160 -11.388 1.00 21.23 H new ATOM 0 HB VAL A 115 14.376 19.286 -11.961 1.00 52.24 H new ATOM 0 HG11 VAL A 115 16.129 18.231 -10.580 1.00 35.22 H new ATOM 0 HG12 VAL A 115 16.292 20.003 -10.626 1.00 35.22 H new ATOM 0 HG13 VAL A 115 15.610 19.210 -9.187 1.00 35.22 H new ATOM 0 HG21 VAL A 115 13.908 17.167 -10.784 1.00 62.34 H new ATOM 0 HG22 VAL A 115 13.262 18.085 -9.403 1.00 62.34 H new ATOM 0 HG23 VAL A 115 12.443 18.159 -10.981 1.00 62.34 H new ATOM 1826 N SER A 116 11.211 20.377 -10.605 1.00 63.21 N ATOM 1827 CA SER A 116 9.863 20.191 -10.097 1.00 31.34 C ATOM 1828 C SER A 116 9.105 19.193 -10.975 1.00 43.32 C ATOM 1829 O SER A 116 8.783 19.492 -12.124 1.00 13.51 O ATOM 1830 CB SER A 116 9.110 21.521 -10.033 1.00 72.10 C ATOM 1831 OG SER A 116 8.497 21.847 -11.277 1.00 41.55 O ATOM 0 H SER A 116 11.274 20.485 -11.617 1.00 63.21 H new ATOM 0 HA SER A 116 9.931 19.794 -9.084 1.00 31.34 H new ATOM 0 HB2 SER A 116 8.348 21.469 -9.256 1.00 72.10 H new ATOM 0 HB3 SER A 116 9.800 22.315 -9.750 1.00 72.10 H new ATOM 0 HG SER A 116 8.417 21.038 -11.824 1.00 41.55 H new ATOM 1837 N PHE A 117 8.843 18.028 -10.402 1.00 4.15 N ATOM 1838 CA PHE A 117 8.130 16.985 -11.118 1.00 73.31 C ATOM 1839 C PHE A 117 6.687 17.406 -11.407 1.00 24.23 C ATOM 1840 O PHE A 117 6.301 18.541 -11.131 1.00 23.30 O ATOM 1841 CB PHE A 117 8.117 15.750 -10.215 1.00 11.14 C ATOM 1842 CG PHE A 117 9.410 14.933 -10.259 1.00 74.25 C ATOM 1843 CD1 PHE A 117 10.614 15.562 -10.205 1.00 21.25 C ATOM 1844 CD2 PHE A 117 9.354 13.577 -10.354 1.00 41.22 C ATOM 1845 CE1 PHE A 117 11.814 14.803 -10.246 1.00 52.31 C ATOM 1846 CE2 PHE A 117 10.554 12.819 -10.396 1.00 33.32 C ATOM 1847 CZ PHE A 117 11.758 13.448 -10.341 1.00 23.42 C ATOM 0 H PHE A 117 9.112 17.783 -9.449 1.00 4.15 H new ATOM 0 HA PHE A 117 8.620 16.787 -12.071 1.00 73.31 H new ATOM 0 HB2 PHE A 117 7.934 16.066 -9.188 1.00 11.14 H new ATOM 0 HB3 PHE A 117 7.284 15.109 -10.505 1.00 11.14 H new ATOM 0 HD1 PHE A 117 10.658 16.639 -10.131 1.00 21.25 H new ATOM 0 HD2 PHE A 117 8.397 13.077 -10.397 1.00 41.22 H new ATOM 0 HE1 PHE A 117 12.771 15.302 -10.202 1.00 52.31 H new ATOM 0 HE2 PHE A 117 10.510 11.743 -10.472 1.00 33.32 H new ATOM 0 HZ PHE A 117 12.670 12.871 -10.373 1.00 23.42 H new ATOM 1857 N GLY A 118 5.930 16.469 -11.958 1.00 62.21 N ATOM 1858 CA GLY A 118 4.539 16.729 -12.287 1.00 71.51 C ATOM 1859 C GLY A 118 3.760 17.188 -11.053 1.00 20.32 C ATOM 1860 O GLY A 118 3.527 18.382 -10.870 1.00 23.41 O ATOM 0 H GLY A 118 6.254 15.529 -12.185 1.00 62.21 H new ATOM 0 HA2 GLY A 118 4.482 17.493 -13.062 1.00 71.51 H new ATOM 0 HA3 GLY A 118 4.083 15.827 -12.694 1.00 71.51 H new ATOM 1864 N ALA A 119 3.379 16.215 -10.238 1.00 14.33 N ATOM 1865 CA ALA A 119 2.631 16.505 -9.026 1.00 32.41 C ATOM 1866 C ALA A 119 3.570 17.119 -7.986 1.00 65.43 C ATOM 1867 O ALA A 119 3.461 18.301 -7.667 1.00 12.42 O ATOM 1868 CB ALA A 119 1.960 15.225 -8.522 1.00 51.21 C ATOM 0 H ALA A 119 3.574 15.226 -10.393 1.00 14.33 H new ATOM 0 HA ALA A 119 1.842 17.230 -9.226 1.00 32.41 H new ATOM 0 HB1 ALA A 119 1.399 15.442 -7.613 1.00 51.21 H new ATOM 0 HB2 ALA A 119 1.281 14.845 -9.286 1.00 51.21 H new ATOM 0 HB3 ALA A 119 2.721 14.475 -8.308 1.00 51.21 H new ATOM 1874 N SER A 120 4.473 16.287 -7.487 1.00 41.11 N ATOM 1875 CA SER A 120 5.431 16.733 -6.490 1.00 44.31 C ATOM 1876 C SER A 120 5.841 18.181 -6.769 1.00 65.45 C ATOM 1877 O SER A 120 6.720 18.433 -7.592 1.00 63.23 O ATOM 1878 CB SER A 120 6.664 15.827 -6.467 1.00 0.42 C ATOM 1879 OG SER A 120 7.841 16.537 -6.090 1.00 41.14 O ATOM 0 H SER A 120 4.561 15.307 -7.755 1.00 41.11 H new ATOM 0 HA SER A 120 4.956 16.679 -5.511 1.00 44.31 H new ATOM 0 HB2 SER A 120 6.497 15.005 -5.770 1.00 0.42 H new ATOM 0 HB3 SER A 120 6.807 15.385 -7.453 1.00 0.42 H new ATOM 0 HG SER A 120 8.022 17.242 -6.746 1.00 41.14 H new ATOM 1885 N THR A 121 5.185 19.094 -6.069 1.00 24.35 N ATOM 1886 CA THR A 121 5.471 20.509 -6.231 1.00 13.23 C ATOM 1887 C THR A 121 6.865 20.837 -5.694 1.00 23.02 C ATOM 1888 O THR A 121 7.356 21.951 -5.869 1.00 50.23 O ATOM 1889 CB THR A 121 4.354 21.298 -5.544 1.00 3.21 C ATOM 1890 OG1 THR A 121 4.472 22.611 -6.086 1.00 63.44 O ATOM 1891 CG2 THR A 121 4.608 21.490 -4.047 1.00 73.52 C ATOM 0 H THR A 121 4.456 18.881 -5.388 1.00 24.35 H new ATOM 0 HA THR A 121 5.489 20.791 -7.284 1.00 13.23 H new ATOM 0 HB THR A 121 3.404 20.783 -5.689 1.00 3.21 H new ATOM 0 HG1 THR A 121 5.403 22.776 -6.343 1.00 63.44 H new ATOM 0 HG21 THR A 121 3.786 22.056 -3.608 1.00 73.52 H new ATOM 0 HG22 THR A 121 4.678 20.516 -3.562 1.00 73.52 H new ATOM 0 HG23 THR A 121 5.541 22.035 -3.903 1.00 73.52 H new ATOM 1899 N ARG A 122 7.465 19.846 -5.050 1.00 54.02 N ATOM 1900 CA ARG A 122 8.793 20.015 -4.486 1.00 42.14 C ATOM 1901 C ARG A 122 9.713 20.709 -5.493 1.00 53.03 C ATOM 1902 O ARG A 122 9.349 20.881 -6.656 1.00 31.04 O ATOM 1903 CB ARG A 122 9.401 18.667 -4.096 1.00 24.41 C ATOM 1904 CG ARG A 122 8.616 18.022 -2.952 1.00 61.40 C ATOM 1905 CD ARG A 122 8.341 19.033 -1.837 1.00 72.04 C ATOM 1906 NE ARG A 122 7.932 18.327 -0.603 1.00 34.31 N ATOM 1907 CZ ARG A 122 6.689 17.848 -0.381 1.00 71.14 C ATOM 1908 NH1 ARG A 122 5.722 17.996 -1.311 1.00 53.15 N ATOM 1909 NH2 ARG A 122 6.434 17.233 0.758 1.00 33.14 N ATOM 0 H ARG A 122 7.055 18.923 -4.907 1.00 54.02 H new ATOM 0 HA ARG A 122 8.697 20.630 -3.591 1.00 42.14 H new ATOM 0 HB2 ARG A 122 9.404 18.002 -4.960 1.00 24.41 H new ATOM 0 HB3 ARG A 122 10.440 18.806 -3.796 1.00 24.41 H new ATOM 0 HG2 ARG A 122 7.673 17.627 -3.330 1.00 61.40 H new ATOM 0 HG3 ARG A 122 9.177 17.178 -2.552 1.00 61.40 H new ATOM 0 HD2 ARG A 122 9.234 19.628 -1.646 1.00 72.04 H new ATOM 0 HD3 ARG A 122 7.557 19.724 -2.147 1.00 72.04 H new ATOM 0 HE ARG A 122 8.633 18.194 0.126 1.00 34.31 H new ATOM 0 HH11 ARG A 122 5.928 18.472 -2.189 1.00 53.15 H new ATOM 0 HH12 ARG A 122 4.786 17.631 -1.136 1.00 53.15 H new ATOM 0 HH21 ARG A 122 7.171 17.125 1.455 1.00 33.14 H new ATOM 0 HH22 ARG A 122 5.500 16.865 0.941 1.00 33.14 H new ATOM 1922 N ALA A 123 10.886 21.089 -5.010 1.00 45.03 N ATOM 1923 CA ALA A 123 11.861 21.760 -5.854 1.00 11.44 C ATOM 1924 C ALA A 123 13.231 21.107 -5.662 1.00 1.32 C ATOM 1925 O ALA A 123 14.178 21.760 -5.225 1.00 61.32 O ATOM 1926 CB ALA A 123 11.876 23.255 -5.526 1.00 23.21 C ATOM 0 H ALA A 123 11.184 20.945 -4.045 1.00 45.03 H new ATOM 0 HA ALA A 123 11.593 21.659 -6.906 1.00 11.44 H new ATOM 0 HB1 ALA A 123 12.607 23.759 -6.158 1.00 23.21 H new ATOM 0 HB2 ALA A 123 10.887 23.677 -5.707 1.00 23.21 H new ATOM 0 HB3 ALA A 123 12.144 23.395 -4.479 1.00 23.21 H new ATOM 1932 N TYR A 124 13.293 19.827 -5.997 1.00 40.14 N ATOM 1933 CA TYR A 124 14.532 19.078 -5.868 1.00 14.44 C ATOM 1934 C TYR A 124 15.739 19.951 -6.216 1.00 0.32 C ATOM 1935 O TYR A 124 15.907 20.355 -7.366 1.00 31.34 O ATOM 1936 CB TYR A 124 14.439 17.932 -6.876 1.00 32.51 C ATOM 1937 CG TYR A 124 13.307 16.943 -6.591 1.00 32.52 C ATOM 1938 CD1 TYR A 124 12.517 17.102 -5.470 1.00 23.41 C ATOM 1939 CD2 TYR A 124 13.075 15.891 -7.454 1.00 50.45 C ATOM 1940 CE1 TYR A 124 11.452 16.171 -5.202 1.00 31.24 C ATOM 1941 CE2 TYR A 124 12.010 14.961 -7.186 1.00 75.42 C ATOM 1942 CZ TYR A 124 11.251 15.146 -6.073 1.00 55.20 C ATOM 1943 OH TYR A 124 10.244 14.267 -5.820 1.00 3.14 O ATOM 0 H TYR A 124 12.505 19.289 -6.358 1.00 40.14 H new ATOM 0 HA TYR A 124 14.662 18.725 -4.845 1.00 14.44 H new ATOM 0 HB2 TYR A 124 14.301 18.349 -7.873 1.00 32.51 H new ATOM 0 HB3 TYR A 124 15.386 17.392 -6.885 1.00 32.51 H new ATOM 0 HD1 TYR A 124 12.698 17.925 -4.794 1.00 23.41 H new ATOM 0 HD2 TYR A 124 13.693 15.766 -8.331 1.00 50.45 H new ATOM 0 HE1 TYR A 124 10.827 16.284 -4.329 1.00 31.24 H new ATOM 0 HE2 TYR A 124 11.818 14.134 -7.854 1.00 75.42 H new ATOM 0 HH TYR A 124 10.217 13.588 -6.526 1.00 3.14 H new ATOM 1953 N THR A 125 16.549 20.217 -5.201 1.00 52.34 N ATOM 1954 CA THR A 125 17.736 21.035 -5.386 1.00 32.11 C ATOM 1955 C THR A 125 18.989 20.158 -5.408 1.00 3.05 C ATOM 1956 O THR A 125 19.547 19.840 -4.358 1.00 42.43 O ATOM 1957 CB THR A 125 17.755 22.096 -4.283 1.00 61.44 C ATOM 1958 OG1 THR A 125 16.874 23.109 -4.761 1.00 65.11 O ATOM 1959 CG2 THR A 125 19.109 22.800 -4.173 1.00 13.34 C ATOM 0 H THR A 125 16.407 19.881 -4.249 1.00 52.34 H new ATOM 0 HA THR A 125 17.719 21.546 -6.348 1.00 32.11 H new ATOM 0 HB THR A 125 17.508 21.632 -3.328 1.00 61.44 H new ATOM 0 HG1 THR A 125 15.994 22.718 -4.942 1.00 65.11 H new ATOM 0 HG21 THR A 125 19.069 23.543 -3.376 1.00 13.34 H new ATOM 0 HG22 THR A 125 19.883 22.067 -3.947 1.00 13.34 H new ATOM 0 HG23 THR A 125 19.341 23.293 -5.117 1.00 13.34 H new ATOM 1967 N LEU A 126 19.395 19.792 -6.614 1.00 64.42 N ATOM 1968 CA LEU A 126 20.573 18.958 -6.786 1.00 73.54 C ATOM 1969 C LEU A 126 21.810 19.726 -6.318 1.00 12.13 C ATOM 1970 O LEU A 126 22.240 20.675 -6.971 1.00 52.32 O ATOM 1971 CB LEU A 126 20.669 18.458 -8.229 1.00 41.14 C ATOM 1972 CG LEU A 126 21.951 17.706 -8.595 1.00 14.13 C ATOM 1973 CD1 LEU A 126 23.060 18.678 -9.000 1.00 41.41 C ATOM 1974 CD2 LEU A 126 22.387 16.781 -7.457 1.00 33.01 C ATOM 0 H LEU A 126 18.930 20.057 -7.482 1.00 64.42 H new ATOM 0 HA LEU A 126 20.500 18.064 -6.167 1.00 73.54 H new ATOM 0 HB2 LEU A 126 19.819 17.803 -8.423 1.00 41.14 H new ATOM 0 HB3 LEU A 126 20.570 19.314 -8.896 1.00 41.14 H new ATOM 0 HG LEU A 126 21.743 17.077 -9.460 1.00 14.13 H new ATOM 0 HD11 LEU A 126 23.960 18.118 -9.255 1.00 41.41 H new ATOM 0 HD12 LEU A 126 22.737 19.259 -9.864 1.00 41.41 H new ATOM 0 HD13 LEU A 126 23.275 19.351 -8.170 1.00 41.41 H new ATOM 0 HD21 LEU A 126 23.300 16.258 -7.742 1.00 33.01 H new ATOM 0 HD22 LEU A 126 22.572 17.371 -6.559 1.00 33.01 H new ATOM 0 HD23 LEU A 126 21.600 16.054 -7.257 1.00 33.01 H new ATOM 1986 N ARG A 127 22.347 19.287 -5.189 1.00 43.21 N ATOM 1987 CA ARG A 127 23.527 19.922 -4.625 1.00 55.03 C ATOM 1988 C ARG A 127 24.779 19.111 -4.964 1.00 41.43 C ATOM 1989 O ARG A 127 24.715 18.157 -5.737 1.00 74.05 O ATOM 1990 CB ARG A 127 23.408 20.053 -3.106 1.00 20.05 C ATOM 1991 CG ARG A 127 23.700 21.485 -2.654 1.00 44.42 C ATOM 1992 CD ARG A 127 22.571 22.431 -3.067 1.00 12.55 C ATOM 1993 NE ARG A 127 21.434 22.302 -2.128 1.00 30.21 N ATOM 1994 CZ ARG A 127 21.344 22.959 -0.952 1.00 45.01 C ATOM 1995 NH1 ARG A 127 22.326 23.799 -0.560 1.00 51.13 N ATOM 1996 NH2 ARG A 127 20.283 22.768 -0.191 1.00 70.21 N ATOM 0 H ARG A 127 21.987 18.500 -4.650 1.00 43.21 H new ATOM 0 HA ARG A 127 23.607 20.919 -5.059 1.00 55.03 H new ATOM 0 HB2 ARG A 127 22.405 19.766 -2.790 1.00 20.05 H new ATOM 0 HB3 ARG A 127 24.103 19.367 -2.623 1.00 20.05 H new ATOM 0 HG2 ARG A 127 23.823 21.510 -1.571 1.00 44.42 H new ATOM 0 HG3 ARG A 127 24.640 21.823 -3.090 1.00 44.42 H new ATOM 0 HD2 ARG A 127 22.932 23.460 -3.075 1.00 12.55 H new ATOM 0 HD3 ARG A 127 22.244 22.200 -4.081 1.00 12.55 H new ATOM 0 HE ARG A 127 20.670 21.677 -2.386 1.00 30.21 H new ATOM 0 HH11 ARG A 127 23.143 23.941 -1.154 1.00 51.13 H new ATOM 0 HH12 ARG A 127 22.251 24.292 0.330 1.00 51.13 H new ATOM 0 HH21 ARG A 127 19.546 22.131 -0.494 1.00 70.21 H new ATOM 0 HH22 ARG A 127 20.200 23.257 0.700 1.00 70.21 H new ATOM 2009 N GLU A 128 25.890 19.521 -4.369 1.00 55.52 N ATOM 2010 CA GLU A 128 27.155 18.845 -4.598 1.00 40.24 C ATOM 2011 C GLU A 128 28.126 19.134 -3.452 1.00 23.51 C ATOM 2012 O GLU A 128 28.667 20.234 -3.354 1.00 22.12 O ATOM 2013 CB GLU A 128 27.759 19.253 -5.944 1.00 34.11 C ATOM 2014 CG GLU A 128 29.244 18.892 -6.010 1.00 40.13 C ATOM 2015 CD GLU A 128 29.774 19.011 -7.441 1.00 13.12 C ATOM 2016 OE1 GLU A 128 29.108 19.607 -8.301 1.00 3.44 O ATOM 2017 OE2 GLU A 128 30.921 18.458 -7.645 1.00 71.22 O ATOM 0 H GLU A 128 25.940 20.313 -3.729 1.00 55.52 H new ATOM 0 HA GLU A 128 26.970 17.771 -4.630 1.00 40.24 H new ATOM 0 HB2 GLU A 128 27.224 18.755 -6.753 1.00 34.11 H new ATOM 0 HB3 GLU A 128 27.635 20.326 -6.092 1.00 34.11 H new ATOM 0 HG2 GLU A 128 29.812 19.550 -5.352 1.00 40.13 H new ATOM 0 HG3 GLU A 128 29.391 17.875 -5.647 1.00 40.13 H new ATOM 2025 N LYS A 129 28.318 18.126 -2.613 1.00 72.35 N ATOM 2026 CA LYS A 129 29.214 18.257 -1.478 1.00 4.24 C ATOM 2027 C LYS A 129 30.430 19.092 -1.887 1.00 33.23 C ATOM 2028 O LYS A 129 31.366 18.575 -2.495 1.00 13.21 O ATOM 2029 CB LYS A 129 29.575 16.880 -0.917 1.00 74.11 C ATOM 2030 CG LYS A 129 28.328 16.150 -0.414 1.00 32.51 C ATOM 2031 CD LYS A 129 28.708 14.897 0.379 1.00 44.34 C ATOM 2032 CE LYS A 129 27.567 14.464 1.300 1.00 32.23 C ATOM 2033 NZ LYS A 129 27.727 15.067 2.642 1.00 12.04 N ATOM 0 H LYS A 129 27.868 17.215 -2.697 1.00 72.35 H new ATOM 0 HA LYS A 129 28.721 18.788 -0.664 1.00 4.24 H new ATOM 0 HB2 LYS A 129 30.063 16.285 -1.689 1.00 74.11 H new ATOM 0 HB3 LYS A 129 30.290 16.991 -0.102 1.00 74.11 H new ATOM 0 HG2 LYS A 129 27.740 16.818 0.215 1.00 32.51 H new ATOM 0 HG3 LYS A 129 27.699 15.873 -1.260 1.00 32.51 H new ATOM 0 HD2 LYS A 129 28.952 14.087 -0.309 1.00 44.34 H new ATOM 0 HD3 LYS A 129 29.602 15.094 0.970 1.00 44.34 H new ATOM 0 HE2 LYS A 129 26.611 14.765 0.871 1.00 32.23 H new ATOM 0 HE3 LYS A 129 27.551 13.377 1.383 1.00 32.23 H new ATOM 0 HZ1 LYS A 129 26.944 14.763 3.255 1.00 12.04 H new ATOM 0 HZ2 LYS A 129 28.630 14.759 3.056 1.00 12.04 H new ATOM 0 HZ3 LYS A 129 27.720 16.104 2.560 1.00 12.04 H new ATOM 2046 N PRO A 130 30.374 20.402 -1.527 1.00 44.20 N ATOM 2047 CA PRO A 130 31.459 21.313 -1.850 1.00 42.31 C ATOM 2048 C PRO A 130 32.664 21.078 -0.937 1.00 33.44 C ATOM 2049 O PRO A 130 32.771 20.029 -0.303 1.00 12.04 O ATOM 2050 CB PRO A 130 30.863 22.703 -1.700 1.00 41.53 C ATOM 2051 CG PRO A 130 29.612 22.532 -0.854 1.00 22.31 C ATOM 2052 CD PRO A 130 29.282 21.049 -0.806 1.00 71.20 C ATOM 0 HA PRO A 130 31.845 21.166 -2.859 1.00 42.31 H new ATOM 0 HB2 PRO A 130 31.569 23.381 -1.220 1.00 41.53 H new ATOM 0 HB3 PRO A 130 30.621 23.131 -2.673 1.00 41.53 H new ATOM 0 HG2 PRO A 130 29.775 22.920 0.152 1.00 22.31 H new ATOM 0 HG3 PRO A 130 28.782 23.094 -1.282 1.00 22.31 H new ATOM 0 HD2 PRO A 130 29.219 20.691 0.221 1.00 71.20 H new ATOM 0 HD3 PRO A 130 28.320 20.842 -1.275 1.00 71.20 H new ATOM 2060 N GLN A 131 33.540 22.071 -0.898 1.00 61.42 N ATOM 2061 CA GLN A 131 34.733 21.985 -0.073 1.00 32.42 C ATOM 2062 C GLN A 131 34.371 21.508 1.335 1.00 14.03 C ATOM 2063 O GLN A 131 33.487 22.073 1.977 1.00 34.14 O ATOM 2064 CB GLN A 131 35.465 23.327 -0.026 1.00 0.12 C ATOM 2065 CG GLN A 131 36.953 23.130 0.270 1.00 22.02 C ATOM 2066 CD GLN A 131 37.719 24.447 0.130 1.00 62.03 C ATOM 2067 OE1 GLN A 131 37.338 25.341 -0.607 1.00 52.33 O ATOM 2068 NE2 GLN A 131 38.818 24.516 0.876 1.00 60.01 N ATOM 0 H GLN A 131 33.447 22.940 -1.425 1.00 61.42 H new ATOM 0 HA GLN A 131 35.409 21.256 -0.520 1.00 32.42 H new ATOM 0 HB2 GLN A 131 35.345 23.844 -0.978 1.00 0.12 H new ATOM 0 HB3 GLN A 131 35.019 23.962 0.740 1.00 0.12 H new ATOM 0 HG2 GLN A 131 37.078 22.738 1.279 1.00 22.02 H new ATOM 0 HG3 GLN A 131 37.368 22.389 -0.413 1.00 22.02 H new ATOM 0 HE21 GLN A 131 39.080 23.731 1.472 1.00 60.01 H new ATOM 0 HE22 GLN A 131 39.399 25.354 0.852 1.00 60.01 H new ATOM 2077 N THR A 132 35.072 20.473 1.774 1.00 3.31 N ATOM 2078 CA THR A 132 34.836 19.914 3.094 1.00 13.43 C ATOM 2079 C THR A 132 36.164 19.598 3.785 1.00 14.22 C ATOM 2080 O THR A 132 37.187 19.429 3.124 1.00 72.30 O ATOM 2081 CB THR A 132 33.928 18.693 2.935 1.00 14.50 C ATOM 2082 OG1 THR A 132 34.127 17.954 4.137 1.00 75.24 O ATOM 2083 CG2 THR A 132 34.406 17.748 1.832 1.00 63.43 C ATOM 0 H THR A 132 35.804 20.007 1.238 1.00 3.31 H new ATOM 0 HA THR A 132 34.331 20.630 3.742 1.00 13.43 H new ATOM 0 HB THR A 132 32.912 19.022 2.715 1.00 14.50 H new ATOM 0 HG1 THR A 132 33.574 17.145 4.119 1.00 75.24 H new ATOM 0 HG21 THR A 132 33.727 16.899 1.761 1.00 63.43 H new ATOM 0 HG22 THR A 132 34.424 18.279 0.880 1.00 63.43 H new ATOM 0 HG23 THR A 132 35.409 17.392 2.067 1.00 63.43 H new TER 2091 THR A 132